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Subject: Chemistry
,
Working Paper
, Title:

Intracellular Delivery and Deep Tissue Penetration of Nucleoside Triphosphates using Photocleavable Covalently Bound Dendritic Polycations

, Authors: Jiahui Ma, Johanna Wehrle, Lina Lorenzen, Christoph Popp, Dennis Frank, Wolfgang Driever, Robert Grosse, Henning Jessen
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-221r5
 
Subject: Chemistry
,
Working Paper
, Title:

Inhibitory Potential of Furanocoumarins Against Cyclin Dependent Kinase 4 Using Integrated Docking, MD and ONIOM Methods

, Authors: Srutishree Sarma, Dikshita Dowerah, Moumita Basumatary, Ambalika Phonglo, Ramesh Chandra Deka
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-90n1q
 
Subject: Chemistry
,
Review
, Title:

Defects in 3D Printing and Strategies to Enhance Quality of FFF Additive Manufacturing. A Review

, Authors: Kirill Erokhin, Sergei Naumov, Valentine Ananikov
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-lw1ns
 
Subject: Chemistry
,
Working Paper
, Title:

A facile preparation of N-heterocyclic olefins: ring-opening polymerization of β-butyrolactone and frustrated Lewis pair reactivity

, Authors: Natesan Mannangatti Rajendran, Qi Lu, Jean Bouffard
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-fzbvb
 
Subject: Chemistry
,
Working Paper
, Title:

Addressing sub-optimal poses in non-equilibrium alchemical calculations

, Authors: Maurice Karrenbrock, Valerio Rizzi, Piero Procacci, Francesco Luigi Gervasio
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-29682
 
Subject: Chemistry
,
Working Paper
, Title:

Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation

, Authors: Laura Sinatra, Anja Vogelmann, Florian Friedrich, Margarita Tararina, Emilia Neuwirt, Arianna Colcerasa, Philipp König, Lara Toy, Talha Yesiloglu, Sebastian Hilscher, Lena Gaitzsch, Niklas Papenkordt, Shiyang Zhai, Lin Zhang, Christophe Romier, Oliver Einsle, Wolfgang Sippl, Mike Schutkowski, Olaf Groß, Gerd Bendas, David Christianson, Finn Hansen, Manfred Jung, Matthias Schiedel
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-dpx9n-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Chiral bifunctional NHC/guanidine ligands for asymmetric hydrogenation

, Authors: Mahadeb Gorai, Teichert Johannes
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-k9lwz
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Magnifying Glass for Chemistry at the Nanoscale

, Authors: Katja-Sophia Csizi, Miguel Steiner, Markus Reiher
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-t10sc
 
Subject: Chemistry
,
Working Paper
, Title:

Palladium-Catalyzed, Highly Regio-, Stereo-, and Enantioselective Anti-Carboxylation of Unactivated Internal Allenes

, Authors: Prajyot Jayadev Nagtilak, Manoj V. Mane, Deveen Rajeshbhai Hirapara, Akshat Jain, Manmohan Kapur
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-rgc7x
 
Subject: Chemistry
,
Working Paper
, Title:

Rediscovering the particle in a box: Machine learning regression analysis for hypothesis generation in physical chemistry lab

, Authors: Elizabeth Thrall, Fernando Martinez Lopez, Thomas Egg, Seung Eun Lee, Joshua Schrier, Yijun Zhao
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-9gkk4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Electronic Relaxation Mechanism of 9-Methyl-2,6-Diaminopurine and 2,6-Diaminopurine-2’-Deoxyribose in Solution

, Authors: Luis A. Ortiz-Rodríguez, Naishka E. Caldero-Rodríguez, Sourav K. Seth, Karitza Díaz-González, Carlos Crespo-Hernández
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-d5mn9
 
Subject: Chemistry
,
Working Paper
, Title:

TomoSuitePY: A Pythonic Workflow for Noisy and Sparse Angle Tomography

, Authors: William Judge, Vincent De Andrade, Tekin Bicer, Francesco De Carlo, Jordi Cabana, Eva Allen
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-xvtmq
 
Subject: Chemistry
,
Working Paper
, Title:

Methods for spatial extrapolation of methane measurements in constructing regional estimates from sample populations

, Authors: Colette Schissel, David Allen, Howard Dieter
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-zcqnq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Nuclear Quantum Effects in Gas-Phase 2-Fluoroethanol

, Authors: Mrinal Arandhara, Sai G. Ramesh
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-l9dt9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Convergent Synthesis of a Hexadecavalent Heterobifunctional ABO Blood Group Glycoconjugate

, Authors: Gour Chand Daskhan, Hanh-Thuc Ton Tran, Christopher W Cairo
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-8ct0c
 
Subject: Chemistry
,
Working Paper
, Title:

Life cycle comparison of industrial-scale lithium-ion battery recycling and mining supply chains

, Authors: Michael Machala, Xi Chen, Samantha Bunke, Gregory Forbes, Akarys Yegizbay, Jacques de Chalendar, Inês Azevedo, Sally Benson, William Tarpeh
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-qwmb2-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Formaldehyde-mediated Hydride Liberation of Alkylamines for Intermolecular Reactions in HFIP

, Authors: Shaokun Cai, Hong Tang, Bo Li, Yingbo Shao, Danqi Zhang, Hanliang Zheng, Xin Chu, Gang He, Xiao-Song Xue, Gong Chen
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-jm4hk
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective photocatalytic synthesis of bicyclo[2.1.1]hexanes as orthodisubstituted benzene bioisosteres with improved biological activity

, Authors: Pablo Garrido-Garcia, Irene Quiros, Paula Milan-Rois, Alvaro Somoza, Israel Fernandez, Thomas Rigotti, Mariola Tortosa
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-f5ll4
 
Subject: Chemistry
,
Working Paper
, Title:

Extended voltage imaging in cardiomyocytes with a triplet state quencher-stabilized silicon rhodamine

, Authors: Kayli Martinez, Nels Gerstner, Samantha Yang, Evan Miller
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-nmf04
 
Subject: Chemistry
,
Working Paper
, Title:

Key Molecular Descriptors Distinguishing Between Synthetic and Natural Products

, Authors: Nathaniel Thomas, Sweekrit Bhatnagar, Avirral Agarwal, Anya Iyer, Niranjana Sankar, Manav Bhargava, Spencer Ye, Edwin Li, Ritam Nandi, Edward Njoo, Robert Downing
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-t2lwf
 
Subject: Chemistry
,
Working Paper
, Title:

Massive Molecular Motion in Crystal Lattice Leads to an Unexpected Product in a Topochemical Polymerization

, Authors: Kana Sureshan, Khazeber Ravichandran, Gautham Kana
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-1ztq6
 
Subject: Chemistry
,
Working Paper
, Title:

Copper-Catalyzed Cross-Coupling of Organozincs with Carboxylic Acids via Acyloxyphosphonium Ions: Direct Access to (fluoro)Ketones

, Authors: Md Nirshad Alam, Aanya Jindal, Daniel J. Hubin, Morgan L. Haynes, Nicholas Edwards, Tomohiro Kimura, Socrates B. Munoz
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-7g1gp
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Screening of Photodynamics of Transition-Metal Complexes

, Authors: Nóra Kovács, Patrick Zobel
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-mbh7p
 
Subject: Chemistry
,
Working Paper
, Title:

Network Polymer Properties Engineered through Polymer Backbone Dispersity and Structure

, Authors: Ibrahim O. Raji, Obed J. Dodo, Nirob K. Saha, Mary Eisenhart, Kevin M. Miller, Richard Whitfield, Athina Anastasaki, Dominik Konkolewicz
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-6ngm1
 
Subject: Chemistry
,
Working Paper
, Title:

Distilling Coarse-Grained Representations of Molecular Electronic Structure with Continuously Gated Message Passing

, Authors: Charlie Maier, Chun-I Wang, Nicholas Jackson
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-kfr9g
 
Subject: Chemistry
,
Working Paper
, Title:

FAME.AL: Site-of-metabolism prediction with active learning

, Authors: Ya Chen, Thomas Seidel, Roxane Axel Jacob, Steffen Hirte, Angelica Mazzolari, Alessandro Pedretti, Giulio Vistoli, Thierry Langer, Filip Miljković, Johannes Kirchmair
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-4dnf1
 
Subject: Chemistry
,
Working Paper
, Title:

Deep Learning Based Anticancer Drug Combination Discovery Through Natural Compounds and Pharmaceutical Drugs

, Authors: Elton Cao
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-85w9x
 
Subject: Chemistry
,
Working Paper
, Title:

A Simple Electron-Density Based Force Field Model for High-Energy Interactions between Atoms and Molecules

, Authors: José Romero, Paulo Limão-Vieira, Kersti Hermansson, Michael Probst
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-c6qp1-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Resolving metal binding properties within subunits of a multimeric enzyme Mnx by surface induced dissociation and native ion mobility mass spectrometry

, Authors: Deseree Reid, Stephanie Thibert, Jesse Wilson, Alexandra Soldatova, Bradley Tebo, Thomas Spiro, Mowei Zhou
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-2tcvb
 
Subject: Chemistry
,
Working Paper
, Title:

Utilizing an Improved EXAFS Structure Analysis Method to Reveal Site-Specific Bonding Properties of Ag44(SR)30 Nanoclusters

, Authors: Ziyi Chen, Daniel Chevrier, Brian Conn, Terry Bigioni, Peng Zhang
Version undefined posted 03 October 2023
Posted
Oct 03, 2023
10.26434/chemrxiv-2023-1pz58
 
Subject: Chemistry
,
Working Paper
, Title:

Fostering Κ-carrageenan Hydrogels with the Power of Natural Crosslinkers: A Comparison between Tender Coconut Water and Potassium Chloride for Antibacterial Therapy

, Authors: Atharva Markale, Tarun Mateti, Likhith K., S. Supriya Bhatt, Rajesh K. M., Vishwanath Managuli, Manasa Nune, Ritu Raval, Pradeep Kumar, Goutam Thakur
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-q7st6
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling the Intricacies of Surface Salt Formation on Mg(0001): Implications for Chloride-Ion Batteries

, Authors: Kanchan Sarkar, Darius Hübner, Daniel Stottmeister, Axel Gross
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-hs8t9
 
Subject: Chemistry
,
Working Paper
, Title:

Modelling the solubility of gases in aqueous solutions in the context of renewable energy production with focus on geothermal plants, energy storage, and carbon sequestration

, Authors: Maria Bonto, Anders Andreasen
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-4hgnm
 
Subject: Chemistry
,
Working Paper
, Title:

Oxygen Sensitivity of [FeFe]-Hydrogenase: A Comparative Study of Active Site Mimics Inside vs Outside the Enzyme

, Authors: Shanika Yadav, Rieke Haas, Esma Birsen Boydas, Michael Römelt, Thomas Happe, Ulf-Peter Apfel, Sven Stripp
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2021-d91v1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Exploiting Grain Boundary Diffusion to Minimize Dendrite Formation in Lithium Metal-Solid State Batteries

, Authors: Jeong Seop Yoon, Hafeez Sulaimon, Donald J. Siegel
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-sx2hz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Structural control of plasmon resonance in molecularly linked metal oxide nanocrystal gel assemblies

, Authors: Jiho Kang, Zachary M. Sherman, Diana L. Conrad, Hannah S. N. Crory, Manuel N. Dominguez, Stephanie A. Valenzuela, Eric V. Anslyn, Thomas M. Truskett, Delia J. Milliron
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-7zxj8
 
Subject: Chemistry
,
Working Paper
, Title:

Soluble Thiabendazolium Salts with Anthelminthic Properties

, Authors: Lida Aeindartehran, Jonathan Lefton, Jewel Burleson, Daniel Unruh, Tomce Runcevski
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-gz05h
 
Subject: Chemistry
,
Working Paper
, Title:

A database of molecular properties integrated in the Materials Project

, Authors: Evan Walter Clark Spotte-Smith, Orion Archer Cohen, Samuel Blau, Jason Munro, Ruoxi Yang, Rishabh Guha, Hetal Patel, Sudarshan Vijay, Patrick Huck, Ryan Kingsbury, Matthew Horton, Kristin Persson
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-tz7x8-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Intersystem Crossing as Vibronically-Induced Phonon Emission and Absorption Processes: A Unified View of Nonradiative Transitions in a Molecule

, Authors: Wataru Ota, Motoyuki Uejima, Naoki Haruta, Tohru Sato
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-zn0qw
 
Subject: Chemistry
,
Working Paper
, Title:

“On-the-fly” Crystal: How to reliably and automatically characterize and construct potential energy surfaces

, Authors: Mahdi Aarabi, Ankit Pandey, Bill Poirier
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-6tz43
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling non-uniform strain-induced crystallization near a crack tip in natural rubber

, Authors: Kenji Urayama, Thanh-Tam Mai, Tomohiro Yasui, Ruito Tanaka, Hiroyasu Masunaga, Taizo Kabe, Katsuhiko Tsunoda, Shinichi Sakurai
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-k695d
 
Subject: Chemistry
,
Working Paper
, Title:

Gaussian Attractive Potential for Carboxylate/Cobalt Surface Interactions

, Authors: Xiaojing WU, Stephan N. Steinmann, Carine Michel
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-pq39k-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Water and Air Stable Copper(I) Complexes of Tetracationic Catenane Ligands for Oxidative C–C Cross-Coupling

, Authors: Man Pang Tang, Yulin Deng, Yixiang Shi, Samuel Kin-Man Lai, Xin-Yu Pang, Chunyu Liu, Wei Jiang, Lihui Zhu, Ho Yu Au-Yeung
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-jbd2z
 
Subject: Chemistry
,
Working Paper
, Title:

TransPTM: a Transformer-Based Model for Non-Histone Acetylation Site Prediction

, Authors: Lingkuan Meng, Xingjian Chen, Ke Cheng, Nanjun Chen, Zetian Zheng, Fuzhou Wang, Hongyan Sun, Ka-Chun Wong
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-txhw5
 
Subject: Chemistry
,
Working Paper
, Title:

Small-occupation density functional correlation energy correction to wavefunction approximations

, Authors: José Aarón Rodríguez-Jiménez, Abel Carreras, David Casanova
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-m5dgh
 
Subject: Chemistry
,
Working Paper
, Title:

The role of dynamics in heterogeneous catalysis: surface diffusivity and N2 decomposition on Fe(111)

, Authors: Luigi Bonati, Daniela Polino, Cristina Pizzolitto, Pierdomenico Biasi, Rene Eckert, Stephan Reitmeier, Robert Schlögl, Michele Parrinello
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-mlmwv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Automated Quantum Chemistry for Estimating Nucleophilicity and Electrophilicity with Applications to Retrosynthesis and Covalent Inhibitors

, Authors: Nicolai Ree, Andreas H. Göller, Jan H. Jensen
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-pd395
 
Subject: Chemistry
,
Working Paper
, Title:

Broadband APT (BAPT): a Versatile APT Experiment with Improved J-Compensation and Optimal Suppression of Artifacts in Cq-only Spectra

, Authors: Peter Bigler, Ilche Gjuroski, julien Furrer
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-z49qp
 
Subject: Chemistry
,
Working Paper
, Title:

A Comparative Study of Mixed Phosphate-Pyrophosphate Materials for Aqueous and Non-Aqueous Na-ion Batteries

, Authors: Gintarė Gečė, Maider Zarrabeitia, Jurgis Pilipavičius, Stefano Passerini, Linas Vilčiauskas
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-t5b07
 
Subject: Chemistry
,
Working Paper
, Title:

Quantifying the Ultrafast and Steady-State Molecular Reduction Potential of a Plasmonic Photocatalyst

, Authors: Christopher Warkentin, Renee Frontiera
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2022-p8vk2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Computing the relative affinity of chlorophylls 𝘢 and 𝘣 to light-harvesting complex II

, Authors: Gehan A. Ranepura, Junjun Mao, Josh V. Vermaas, Jimin Wang, Christopher J. Gisriel, Rongmei Wei, Jose Ortiz-Soto, MD Raihan Uddin, Muhamed Amin, Gary W. Brudvig, Marilyn R. Gunner
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-hsc1f-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Trace Fe in alkaline electrolyte governs the OER activity of perovskite LaNiO3 and La2NiO4 via interaction with redox-active surface NiOxHy formed by applied bias.

, Authors: Liam Twight, Ally Tonsberg, Samji Samira, Kunal Velinkar, Kora Dumpert, Yinqing Ou, Le Wang, Eranda Nikolla, Shannon Boettcher
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-0rd31
 
Subject: Chemistry
,
Working Paper
, Title:

Building Chemical Intuition About Physicochemical Properties of C8-Per-/Poly-fluoroalkyl Carboxylic Acids Through Computational Means

, Authors: Jonathan Antle, Michael Larock, Zackary Falls, Carla Ng, Ekin Atilla-Gokcumen, Diana Aga, Scott Simpson
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-jnpqg
 
Subject: Chemistry
,
Working Paper
, Title:

Artificial nucleotide codons for enzymatic DNA synthesis

, Authors: Nazarii Sabat, Andreas Stämpfli, Marie Flamme, Steven Hanlon, Serena Bisagni, Filippo Sladojevich, Kurt Püntener, Marcel Hollenstein
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-s4988
 
Subject: Chemistry
,
Working Paper
, Title:

A Serine Ligation Method Based on Mitsunobu Reaction and O-to-N Acyl Transfer

, Authors: Regina So, Braxton Felix, Ankur Jalan, Michael Kopach, Steven Castle
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-49gtb
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of ligand and shell densities on surface structure of core-shell nanoparticles self-assembled from function-spacer-lipid constructs

, Authors: Ivan Vaskan, Veronika Dimitreva, Maxim Petoukhov, Eleonora Shtykova, Nicolai Bovin, Alexander Tuzikov, Marina Tretyak, Vladimir Oleinikov, Anton Zalygin
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-9s46z
 
Subject: Chemistry
,
Working Paper
, Title:

Coarse-Grained Model-Assisted Design of Optimized Polymer Prodrug Nanoparticles: A Combined Theoretical and Experimental Study

, Authors: Ping Gao, Tâp Ha-Duong, Julien Nicolas
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-zrtdk
 
Subject: Materials Science
,
Working Paper
, Title:

Biomaterial Artistry: Investigating the aesthetic expressions of voluminous form-giving applied to knit-bacterial cellulose composite textiles derived from material development in the context of footwear

, Authors: Carolina De Lara
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.33774/coe-2023-hsmd1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Target-Specific Novel Molecules with their Recipe: Incorporating Synthesizability in the Design Process

, Authors: Sowmya Ramaswamy Krishnan, Navneet Bung, Rajgopal Srinivasan, Arijit Roy
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-54bss
 
Subject: Chemistry
,
Working Paper
, Title:

Pushing Boundaries in Single Molecule Magnets: An Ab Initio Perspective on Harnessing Unusual Oxidation States for Unprecedented Lanthanide SMM Performance

, Authors: Tanu Sharma, Abinash Swain, Gopalan Rajaraman
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-wpc4r
 
Subject: Chemistry
,
Working Paper
, Title:

The Missing Link for Electrochemical CO2 Reduction: Classification of CO vs. HCOOH Selectivity via PCA, Reaction Pathways and Coverage Analysis

, Authors: Oliver Christensen, Alexander Bagger, Jan Rossmeisl
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-9rg1d
 
Subject: Chemistry
,
Working Paper
, Title:

Anubis: Bayesian optimization with unknown feasibility constraints for scientific experimentation

, Authors: Riley Hickman, Matteo Aldeghi, Alán Aspuru-Guzik
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-s5qnw
 
Subject: Chemistry
,
Review
, Title:

Molecular simulation approaches to study crystal nucleation from solutions: theoretical considerations and computational challenges

, Authors: Aaron Finney, Matteo Salvalaglio
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.26434/chemrxiv-2023-rb79v-v3
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Getting a seat at the (electoral) table: Partisan poll workers and electoral bias

, Authors: Raul Duarte, Andres Carrizosa
Version undefined posted 04 October 2023
Posted
Oct 04, 2023
10.33774/apsa-2022-fd0gv-v5
 
Subject: Chemistry
,
Working Paper
, Title:

Elucidating the impact of Li3InCl6-coated LiNi0.8Co0.15Al0.05O₂ on the electro-chemo mechanics of Li6PS5Cl-based solid-state batteries

, Authors: Feng Jin, Hung Quoc Nguyen, Laras Fadillah, Torgeir Matre Sandvik, Yu Liu, Adrian Gacia-Martin, Elena Salagre, Enrique García Michel, Dragos Stoian, Kenneth Marshall, Wouter Van Beek, Daniel Rettenwander, Mir Mehraj Ud Din, Günther Redhammer
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-lbp9n
 
Subject: Chemistry
,
Working Paper
, Title:

Top-down Proteomics Analysis of Picogram-level Complex Samples using Spray-Capillary-Based Capillary Electrophoresis Mass Spectrometry

, Authors: Zhitao Zhao, Yanting Guo, Trishika Chowdhury, Samin Anjum, Jiaxue Li, Lushuang Huang, Kellye Cupp-Sutton, Dingjing Shi, Anthony Burgett, Si Wu
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-0x5ss
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Adsorption of Oxygen from Humid Air in a Metal–Organic Framework with Trigonal Pyramidal Copper(I) Sites

, Authors: Kurtis Carsch, Adrian Huang, Matthew Dods, Surya Parker, Rachel Rohde, Henry Jiang, Yuto Yabuuchi, Sarah Karstens, Hyunchul Kwon, Romit Chakraborty, Karen Bustillo, Katie Meihaus, Hiroyasu Furukawa, Andrew Minor, Martin Head-Gordon, Jeffrey Long
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-21gn7
 
Subject: Chemistry
,
Working Paper
, Title:

Thermosensitive Polymer Prodrug Nanoparticles Prepared by an All-Aqueous Nanoprecipitation Process and Application to Combination Therapy

, Authors: Léa Guerassimoff, Marianne Ferrere, Simon Van Herck, Samy Dehissi, Valérie Nicolas, Bruno G. De Geest, Julien Nicolas
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-3v8sh
 
Subject: Chemistry
,
Working Paper
, Title:

Insight into Dehydrogenation of C2HX Species in Ethane Steam Reforming on Ir(100): A DFT Study

, Authors: Rotimi Ore, Ruitao Wu, Lichang Wang
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-3p8jv
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of Potential and Active-Site Environment on Single-Iron-Atom Catalyzed Electrochemical CO2 Reduction from Accurate Quantum Many-Body Simulations

, Authors: Jincheng Lei, Tianyu Zhu
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-flw7b
 
Subject: Chemistry
,
Working Paper
, Title:

Generalized Nonequilibrium Fermi’s Golden Rule and Its Semiclassical Approximations for Electronic Transitions between Multiple States

, Authors: Xiang Sun, Xiaofang Zhang, Zengkui Liu
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-kw15q
 
Subject: Chemistry
,
Working Paper
, Title:

Supramolecular Construction of a Highly Elongated π-Conjugated Structure in the Solid State: Metal-Free Click Reaction Guided by C-H Hydrogen Bonding

, Authors: Shweta Yelgaonkar, Changan Li, Amy Charles, Leonard MacGillivray
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-3k07n
 
Subject: Chemistry
,
Working Paper
, Title:

14N to 15N Isotopic Exchange of Nitrogen Heteroaromatics through Skeletal Editing

, Authors: G. Logan Bartholomew, Samantha L. Kraus, Lucas J. Karas, Filippo Carpaneto, Raffeal Bennett, Matthew S. Sigman, Charles S. Yeung, Richmond Sarpong
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-30dtw
 
Subject: Chemistry
,
Working Paper
, Title:

Mimicking charged host-defence peptides to tune antifungal activity and biocompatibility of amphiphilic polymers

, Authors: Sebastian Schaefer, Daniele Melodia, Nathaniel Corrigan, Megan Lenardon, Cyrille Boyer
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-9c9xg
 
Subject: Chemistry
,
Working Paper
, Title:

Carboxylic Acid-Catalyzed Controlled Ring-Opening Polymerization of Sarcosine N-Carboxyanhydride: Fast Kinetics, Ultra-High Molecular Weight, and Mechanistic Insights

, Authors: Shuo Wang, Ming-Yuan Lu, Si-Kang Wan, Chun-Yan Lyu, Zi-You Tian, Kai Liu, Hua Lu
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-v7ksw
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerated and controlled polymerization of N-carboxyanhydrides catalyzed by acids

, Authors: Xingliang Liu, Jing Huang, Jiaqi Wang, Haonan Sheng, Zhen Yuan, Wanying Wang, Wenbin Li, Ziyuan Song, Jianjun Cheng
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-906jv
 
Subject: Chemistry
,
Review
, Title:

ELEMENTAL ANALYSIS OF PARTICULATE MATTER BY X-RAY FLUORESCENCE METHODS: A GREEN APPROACH TO AIR QUALITY MONITORING

, Authors: Fabjola Bilo, Paola Cirelli, Laura Borgese
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-34g53
 
Subject: Chemistry
,
Working Paper
, Title:

A polynomial equation devised using machine learning to predict the antibacterial activity of silver nanoparticles

, Authors: Tarun Mateti, Venkat Tummala, Veera Raghav Reddy Y, Rekha Gopalkrishna Pai, Praveen Kumar, Prasoon Agarwal
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-vc1x4
 
Subject: Chemistry
,
Working Paper
, Title:

Oxidation-Responsive Supramolecular Hydrogel Based on a Simple Fmoc-Cysteine Derivative Capable of Showing Autonomous Gel–sol–gel Transitions

, Authors: Yuki Shintani, Hiroshi Katagiri, Masato Ikeda
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-s538q
 
Subject: Chemistry
,
Working Paper
, Title:

A Sulfur Monoxide Surrogate Designed for the Synthesis of Sulfoxides and Sulfinamides

, Authors: David Austrup, Fumito Saito
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-v613z
 
Subject: Chemistry
,
Working Paper
, Title:

Structural Dependence of Extended Amide III Vibrations in Two-Dimensional Infrared Spectra

, Authors: Julia Brüggemann, Maria Chekmeneva, Mario Wolter, Christoph Jacob
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-rgjms-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Rigid PN Cages as 3-Dimensional Building Blocks for Crystalline or Amorphous Networked Materials

, Authors: Mohsen Shayan, Maryam Abdollahi, Mason Lawrence, Etienne Guinand, Maxime Goulet, Tanner George, Jason Masuda, Michael Katz, Audrey Laventure, Saurabh Chitnis, Ulrike Werner-Zwanziger
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-1vnnr
 
Subject: Chemistry
,
Working Paper
, Title:

Comprehensive application of XFEL micro crystallography for novel organic compounds

, Authors: Kiyofumi Takaba, Saori Maki-Yonekura, Ichiro Inoue, Kensuke Tono, Yasuhiro Fukuda, Yota Shiratori, Yiying Peng, Jumpei Morimoto, Satoru Inoue, Toshiki Higashino, Shinsuke Sando, Tatsuo Hasegawa, Makina Yabashi, Koji Yonekura
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-69p99
 
Subject: Mathematics
,
Working Paper
, Title:

Locomotive maintenance scheduling: optimization approaches and a case study

, Authors: Pedro Munari, Silvio A. de Araujo, Eduardo Beker, Victor C. B. Camargo, Rafael Campos, Diego Y. Hono, Pedro Pinelli, Socorro Rangel, Maria L. T. Santos, Maristela O. Santos, Fernando R. Senna, Eduardo S. Teixeira, Franklina M. B. Toledo, Caio P. Tomazella, Thiago Vieira, José A. Cuminato
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.33774/miir-2023-w9z68
 
Subject: Chemistry
,
Working Paper
, Title:

Thermodynamic characterization of amyloid polymorphism by Taylor dispersion analysis

, Authors: Azad Farzadfard, Antonin Kunka, Thomas O. Mason, Jacob A. Larsen, Rasmus K. Norrild, Elisa Torrescasana Dominguez, Soumik Ray, Alexander K. Buell
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-41scv
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanical Manipulation of Quantum Interference in Single-Molecule Junctions

, Authors: Amit Sil, Munirah Alsaqer, Chiara Spano, Adam Larbi, Simon Higgins, Craig Robertson, Mariagrazia Graziano, Sara Sangtarash, Richard Nichols, Hatef Sadeghi, Andrea Vezzoli
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-5vt04
 
Subject: Chemistry
,
Working Paper
, Title:

Two mechanisms for the spontaneous emergence, execution, and reprogramming of chemical logic circuits

, Authors: Zhen Peng, Zachary R. Adam
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-nlqqz-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic Worm-Gel Materials as Tunable, Regenerable Adsorbents for Water Treatment

, Authors: Ali Shahrokhinia, Shayesteh Tafazoli, Sahaj Rijal, Dylan Shuster, Randall Scanga, David Morefield, Jaelese Garay, Raylene Rocheleau, Mohammad Bagheri Kashani, Ramaswamy Nagarajan, Onur Apul, James Reuther
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-0rfzj
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Insights into Copper(I) and Copper (II) Cation Exchange Reactions in CdSe Nanoplatelets

, Authors: Progna Banerjee, Alexander Filatov, Xiaobing Zuo, Benjamin Diroll, Elena Shevchenko
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-rgdbm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Intermetallic compounds as oxygen evolving anodes for metal electrowinning : Electrochemical dealloying and effects of scale in practical electrochemistry

, Authors: David Williams
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-r1d7k
 
Subject: Chemistry
,
Working Paper
, Title:

Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning

, Authors: Bhaskar Rana, Edward G. Hohenstein, Todd J. Martínez
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-s7s1t
 
Subject: Chemistry
,
Working Paper
, Title:

Expanding the palette of SWIR emitting nanoparticles based on Au nanoclusters for single-particle tracking microscopy

, Authors: Apolline, A. Simon, Lucie Haye, Abdallah Alhalabi, Stéphane Mornet, Andreas Reisch, Xavier Le Guével, Laurent Cognet
Version undefined posted 05 October 2023
Posted
Oct 05, 2023
10.26434/chemrxiv-2023-15tgf
 
Subject: Chemistry
,
Review
, Title:

On the traditional medicinal plants and plant derived natural drugs used by indigenous people of Nagaland, India

, Authors: Soching Luikham, Jhimli Bhattacharyya
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-7kllx
 
Subject: Chemistry
,
Working Paper
, Title:

Discussion paper: “In situ SR-XRD study of FeCO3 precipitation kinetics onto carbon steel in CO2-containing environments: The influence of brine pH” D. Burkle et al.. Electrochimica Acta 255 (2017) 127–144

, Authors: David Williams
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-gbzxv
 
Subject: Chemistry
,
Working Paper
, Title:

Self-assembled Tetrahedral Iron(III) Cage for MRI Guided Delivery of a Gold Drug

, Authors: Priya Sahoo, Steven Turowski, Joseph Spernyak, Janet Morrow
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-f1lfz
 
Subject: Chemistry
,
Working Paper
, Title:

Branching-chain propagation of parahydrogen-derived nuclear spin order on a catalyst surface

, Authors: Ekaterina V. Pokochueva, Dudari B. Burueva, Oleg G. Salnikov, Igor V. Koptyug
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-6l86v
 
Subject: Chemistry
,
Working Paper
, Title:

Automatic Rhodopsin Modeling with Multiple Protonation Microstates

, Authors: Gustavo Cardenas, Vincent Ledentu, Miquel Huix-Rotllant, Massimo Olivucci, Nicolas Ferré
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-q4rw8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Ion specific tuning of nanoparticle dispersion in an ionic liquid: A structural, thermoelectric and thermo-diffusive investigation

, Authors: Thiago FIUZA, Mitradeep Sarkar, Jesse Riedl, Michel Beaughon, Blanca E Torres Bautista, Kakoli Bhattacharya, Fabrice Cousin, Elodie Barruet, Gilles Demouchy, Jérome Depeyrot, Emmanuelle DUBOIS, Frédéric Gélébart, Valérie GERSTEEN, Guillaume Mériguet, Laurent Michot, Sawako Nakamae, Régine Perzynski, Véronique Peyre
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2022-2rggq-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning Nucleation Collective Variables with Graph Neural Networks

, Authors: Florian Dietrich, Xavier Rosas Advincula, Gianpaolo Gobbo, Michael Bellucci, Matteo Salvalaglio
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-l6jjd-v3
 
Subject: Chemistry
,
Working Paper
, Title:

A conjugated heat and mass transfer model to implement reaction in particle-resolved CFD simulations of catalytic fixed bed reactors

, Authors: Martin Kutscherauer, Scott Anderson, Sebastian Böcklein, Gerhard Mestl, Thomas Turek, Gregor D. Wehinger
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-cqrb6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Switchable quaternary ammonium transformation leading to salinity-tolerance-conferring plant biostimulants

, Authors: Takumi Kinoshita, Yota Sakakibara, Tomoko Hirano, Kei Murakami
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-bwm63
 
Subject: Chemistry
,
Working Paper
, Title:

Revisiting the Ultrafast IR Spectroscopic Study of Free Volume Elements in Polymers: The Role of Probe Molecule's Internal Rotational Fluctuation in Anisotropy Decays

, Authors: Saptarsi Mondal, Sourav Palchowdhury, Kwanghee Park, Soyeon Sung, Yong Ho Lee, Kyungwon Kwak, Minhaeng Cho
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-q76kp
 
Subject: Chemistry
,
Working Paper
, Title:

Neurite outgrowth-inducing Drimane-type Sesquiterpenoids Isolated from Cultures of the Polypore Abundisporus violaceus MUCL 56355

, Authors: Winnie Chemutai Sum, Sherif S. Ebada, Marco Kirchenwitz, Lucy Wanga, Cony Decock, Theresia E. B. Stradal, Josphat C. Matasyoh, Attila Mandi, Tibor Kurtan, Marc Stadler
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-mww5r
 
Subject: Chemistry
,
Working Paper
, Title:

Designing Sustainable Polymers: Lactate Esters for 3D Printing and Upcycling

, Authors: Pia S. Klee, Clara Vazquez-Martel, Lilliana Florido Martins, Eva Blasco
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-3mq11
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Study of the Reactions of Interstellar Molecules: CH2 Reacting with HCNO and HNCO

, Authors: Hongchen Ji, Anita Rágyanszki, Rene A. Fournier
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-kpm5r
 
Subject: Chemistry
,
Working Paper
, Title:

Quantitative Analysis of Charge Transfer Plasmons in Silver Nanocluster Dimers Using Semiempirical Methods

, Authors: Qiwei Sun, Yavuz Ceylan, Rebecca Gieseking
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-z5fbj
 
Subject: Chemistry
,
Working Paper
, Title:

Improving Absorbent-Enhanced Ammonia Separation For Efficient Small Scale Ammonia Synthesis

, Authors: C. Emmanuel Onuoha, Matthew Kale, Mahdi Malmali, Paul Dauenhauer, Alon McCormick
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-5f1vb
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of Water On Deep Eutectic Solvents: Structural Properties and Interactions with CO2

, Authors: Sanchari Bhattacharjee, Rachel Getman
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-bqj91
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding Ion-transfer Reactions in Silver Corrosion and Electrodeposition from First-principles Calculations and Experiments

, Authors: Richard Kang, Yang Zhao, Diptarka Hait, Joseph Gauthier, Paul Kempler, Kira Thurman, Shannon Boettcher, Martin Head-Gordon
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-2m7jh
 
Subject: Chemistry
,
Working Paper
, Title:

A GPU-Accelerated Open-Source Python Package for Calculating Powder Diffraction, Small-Angle-, and Total Scattering with the Debye Scattering Equation

, Authors: Frederik Lizak Johansen, Andy Sode Anker, Ulrik Friis-Jensen, Erik Bjørnager Dam, Kirsten Marie Ørnsbjerg Jensen, Raghavendra Selvan
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-wph49
 
Subject: Chemistry
,
Working Paper
, Title:

High-throughput large scale microfluidic assembly of iron oxide nanoflowers@PS-b-PAA polymeric micelles as multimodal nanoplatforms for photothermia and magnetic imaging

, Authors: Emilia Benassai, Ana C. Hortelao, Elif Aygun, Asli Alpman, Claire Wilhelm, Emine Ulku Saritas, Ali Abou-Hassan
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-86sqv
 
Subject: Chemistry
,
Working Paper
, Title:

Process Condition Optimization for Li3PO4–Li3BO3–Li2SO4 Lithium-Ion Conductors Using Gaussian Process and Genetic Algorithm

, Authors: Kenji Homma, Akito Maruo, Masashi Yoshinaga, Kaito Fujiwara, Yuki Usui, Hideyuki Jippo
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-1whvw
 
Subject: Chemistry
,
Working Paper
, Title:

Droplet tilings in precessive fields: Hysteresis, Elastic Defects, and Annealing

, Authors: Anton Molina, Manu Prakash
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-r84wd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Deflection-Penetration Criterion in defect ridden slanted interfaces: A continuum scale study in 2D Fracture Mechanics and 3D printable models

, Authors: Suraj Reddy
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-8bmd5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Electronic Properties Modulation of NiFe-based Nanoalloy by Introducing Cu and P for Faster Oxygen Evolution Reaction Kinetics

, Authors: Arpita Nandy, Tanmay Ghosh, Ravi Kumar, Dibyendu Bhattacharyya, Dulal Senapati
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-kmhbg
 
Subject: Chemistry
,
Working Paper
, Title:

A Molecular Cu Electrocatalyst Escalates Ambient Perfluorooctanoic Acid Degradation

, Authors: Soumalya Sinha, Ashwin Chaturvedi, Rajeev Gautam, Jianbing Jiang
Version undefined posted 06 October 2023
Posted
Oct 06, 2023
10.26434/chemrxiv-2023-zn70s
 
Subject: Chemistry
,
Working Paper
, Title:

HydraScreen: A Generalizable Structure-Based Deep Learning Approach to Drug Discovery

, Authors: Alvaro Prat, Hisham Abdel Aty, Gintautas Kamuntavicius, Tanya Paquet, Povilas Norvaisas, Piero Gasparotto, Roy Tal
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-gwm1s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

QM Assisted ML for 19F NMR Chemical Shift Prediction

, Authors: Patrick Penner, Anna Vulpetti
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-sd3vq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling the Origin of Unusual Shift in the Electroluminescence of 1D CsCu2I3 Light-Emitting Diodes

, Authors: Udara M. Kuruppu, Mohammad A Rahman, MAHESH K GANGISHETTY
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-v0c16-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Fine-Tuning Dual Single-Atom Metal Sites on Graphene Toward Enhanced ORR Activity

, Authors: Evan Xie, Xijun Wang
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-cxfm5-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Towards a greener electrosynthesis: pairing machine learning and 3D printing for rapid optimisation of anodic trifluoromethylation

, Authors: Nipun Kumar Gupta, Yilin Guo, Soon Yee Chang, Jing Lin, Zi Hui Jonathan Khoo, Riko I Made, Zi En Ooi, Carina Yi Jing Lim, Chow Hern Lee, M Sivapaalan, Yee-Fun Lim, Edwin Khoo, Lu Wen Feng, Yanwei Lum, Albertus Denny Handoko
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-gqts9
 
Subject: Chemistry
,
Working Paper
, Title:

Accessibility Study of Porous Materials at the Single Particle Level as Evaluated within a Microfluidic Chip with Fluorescence Microscopy

, Authors: Alessia Broccoli, Luca Carnevale, Rafael Mayorga-González, Joren M. Dorresteijn, Bert M. Weckhuysen, Wouter Olthuis, Mathieu Odijk, Florian Meirer
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-p6n7w
 
Subject: Chemistry
,
Working Paper
, Title:

Ideal conductor/dielectric model (ICDM): A generalized technique to correct for finite-size effects in molecular simulations of hindered ion transport

, Authors: Amir Haji-Akbari, Brian Shoemaker
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-1mgbh
 
Subject: Chemistry
,
Working Paper
, Title:

The Electron Density: A Fidelity Witness for Quantum Computation

, Authors: Mårten Skogh, Phalgun Lolur, Werner Dobrautz, Christopher Warren, Janka Biznárová, Amr Osman, Giovanna Tancredi, Jonas Bylander, Martin Rahm
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-2fqqx
 
Subject: Chemistry
,
Working Paper
, Title:

Continuous Real-Time Detection of Serotonin using Aptamer-Based Electrochemical Biosensor

, Authors: Habib M. N. Ahmad, Arturo Andrade, Edward Song
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-dq6hn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

An exfoliable transition metal chalcogenide semiconductor NbSe2I2

, Authors: Kejian Qu, Yue Zhang, Cheng Peng, Zachary W. Riedel, Juyeon Won, Rong Zhang, Toby J. Woods, Thomas P. Devereaux, Arend M. van der Zande, Daniel P. Shoemaker
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-vp6hw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Screening Cu-Zeolites for Methane Activation using Curriculum-based Training

, Authors: Jiawei Guo, Tyler Sours, Sam Holton, Chenghan Sun, Ambarish Kulkarni
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-kwh3f-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Mean Curvature Dictates the Diffusion of Lipids Along Curved Membranes

, Authors: Balázs Fábián, Matti Javanainen
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2021-6wksn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Mechanisms behind Conformational Transitions of Influenza Virus Hemagglutinin Membrane Anchor

, Authors: Michal Michalski, Piotr Setny
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-g6np4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Expanding Lipidomic Coverage in Multisegment Injection-Nonaqueous Capillary Electrophoresis-Mass Spectrometry via a Convenient and Quantitative Methylation Strategy

, Authors: Ritchie Ly, Lucas Torres, Nicholas Ly, Philip Britz-McKibbin
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-0x35f-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Cytotoxic and antimicrobial mycophenolic acid derivatives from an endophytic fungus Penicillium sp. MNP-HS-2 associated with Macrozamia communis

, Authors: Mohamed Elnaggar, Nehal Ibrahim, Ahmed Elissawy, Alaa Anwar, Mahmoud Ibrahim, Sherif S. Ebada
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-2p3pj
 
Subject: Chemistry
,
Working Paper
, Title:

hplc-py: A Python Package For Rapid Peak Quantification in Complex Chromatograms

, Authors: Griffin Chure, Jonas Cremer
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-m2n4r
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical characterization of electrolyte purity for CO2 reduction studies

, Authors: Zhihao Cui, Melissa Marx, Modeste Tegomoh, Anne Co
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-4j6hd
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Bismuth coordination complexes as visible light absorbers: Synthesis, characterization and photophysical properties

, Authors: Harsh Bhatia, Junjun Guo, Christopher N. Savory, Martyn Rush, David Iain James, Avishek Dey, Charles Chen, Dejan-Krešimir Bučar, Tracey M. Clarke, David O. Scanlon, Robert G. Palgrave, Bob C. Schroeder
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-n31xc
 
Subject: Chemistry
,
Working Paper
, Title:

Pocket Crafter: A 3D Generative Modeling Based Workflow for the Rapid Generation of Hit Molecules in Drug Discovery

, Authors: Lingling Shen, Jian Fang, Lulu Liu, Fei Yang, Jeremy L. Jenkins, Peter S. Kutchukian, He Wang
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-3b9p3
 
Subject: Chemistry
,
Working Paper
, Title:

Lattice-guided assembly of optoelectronically-active π-conjugated peptides on 1D van der Waals single crystals

, Authors: Ze-Fan Yao, Dmitri Leo Cordova, Griffin Milligan, Diana Lopez, Steven Allison, Yuyao Kuang, Herdeline Ardona, Maxx Arguilla
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-b8ggw
 
Subject: Chemistry
,
Working Paper
, Title:

Progress Towards the Total Synthesis of Jogyamycin Using a Tandem Ichikawa/Winstein Rearrangement

, Authors: Kate Nicastri, Nels Gerstner, JENNIFER Schomaker
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-gm7fh
 
Subject: Chemistry
,
Working Paper
, Title:

Novel Structural Reorientation and Distinct Material Anisotropy in Phosphorene

, Authors: Nathan Zhao, Zubaer Hossain
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-bk0lr
 
Subject: Chemistry
,
Working Paper
, Title:

A widespread family of oxidoreductive sulfoquinovosidases at the gateway to sulfoquinovose catabolism

, Authors: Arashdeep Kaur, Isabelle Pickles, Mahima Sharma, Niccolay Madiedo Soler, Nichollas Scott, Sacha Pidot, Ethan Goddard-Borger, Gideon Davies, Spencer Williams
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-dz6xl
 
Subject: Social Science Research Methods
,
Working Paper
, Title:

Crimes Against Children in India: Regional Patterns and Annual Trends

, Authors: Vishal Tikhute
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.33774/coe-2023-k02lz
 
Subject: Chemistry
,
Working Paper
, Title:

Spatiotemporal Control of Protein Refolding Through Flash-change Reaction Conditions

, Authors: Yuichi Nakahara, Tomoko Kawaguchi, Yutaka Matsuda, Yuta Endo, Masayo Date, Kazutoshi Takahashi, Keisuke Kato, Takahiro Okasora, Daisuke Ejima, Aiichiro Nagaki
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-xt99k
 
Subject: Chemistry
,
Working Paper
, Title:

Learning Intermolecular Electronic Coupling from a Molecular-Orbital-Pair-based Descriptor

, Authors: Jingheng Deng, Shuming Bai
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-lk2jl
 
Subject: Chemistry
,
Working Paper
, Title:

Experimental and Theoretical Studies on the Reactions of Aliphatic Imines with Isocyanates

, Authors: Etienne Cotter, Felix Pultar, Sereina Riniker, Karl-Heinz Altmann
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-twjpr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Transition-metal free boron triiodide-mediated reduction of nitroarenes from simple borohydride reagents

, Authors: Florence Williams, Andrej Corkovic, Thomas Chiarella
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-q5r9g-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Imidacloprid Adsorption Capability in Sugarcane Mill Mud through Hydrothermal Activation

, Authors: Alexander Brown, Nicholas Garozzo, Shahid Nawas, Ausra Baradoke, Christopher Brown, Tak Kim
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-1ntrh-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Interphase formation on Al2O3-coated carbon negative electrodes in lithium-ion batteries

, Authors: Rafael Vilá, Solomon Oyakhire, Yi Cui
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-fr5tg
 
Subject: Chemistry
,
Working Paper
, Title:

Confinement Synthesis of Metal Chalcogenide Quantum Dots within a Porous Organic Cage

, Authors: Michael Wilms, Lesly V. Melendez, Owen Kendall, Enrico Della Gaspera, Joel van Embden, Timothy U. Connell, Daniel E Gomez
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-nwc2t
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid, High-Capacity Adsorption of Iodine from Aqueous Environments with Amide Functionalized Covalent Organic Frameworks

, Authors: Niyati Arora, Tanay Debnath, Milinda Senarathna, Isabella Roske, Andres Cisneros, Ronald Smaldone
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-4s6km
 
Subject: Chemistry
,
Working Paper
, Title:

Visible-Light-Promoted Reduction of Epoxides, Hydroxysulfonates and Halohydrines with Alkyltitanium Alkoxides

, Authors: Artyom Mikhaliov, Aliaksei Flerko, Dziyana Atroshchanka, Aliaksei Harakhouski, Arsenii Budko, Kirill Stasko, Andrei Bialkevich, Siarhei Shepialevich, Yahor Rusakovich, Alaksiej Hurski
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-k0cq3
 
Subject: Chemistry
,
Working Paper
, Title:

Diaporphasines E and F: New polyketides from the saprotrophic fungus Lachnum sp. IW157 growing on the reed grass Phragmites communis

, Authors: Kunthida Phutthacharoen, Syeda Khalid, Hedda Schrey, Kevin Hyde, Marc Stadler, Sherif S. Ebada
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-6jx6c
 
Subject: Chemistry
,
Working Paper
, Title:

Quantification of inhomogeneous local proton density distributions in soft matter, unstructured macromolecules and non-Anfinsen biomacromolecules

, Authors: Sergei Kuzin, Dario Stolba, Xiaowen Wu, Victoria Syryamina, Samy Boulos, Gunnar Jeschke, Laura Nyström, Maxim Yulikov
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-r0qn7
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand control of hydrocarbon C-H bond functionalization by uranyl photocatalysts

, Authors: Ryte Rutkauskaite, Xiaobin Zhang, Adam Woodward, James Purkis, Sean Woodall, Mark Sarsfield, Georg Schreckenbach, Louise Natrajan, Polly Arnold
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-4711l
 
Subject: Chemistry
,
Working Paper
, Title:

Long Oligodeoxynucleotides: Chemical Synthesis, Isolation via Catching by Polymerization, Verification via Sequencing, and Gene Synthesis and Expression Demonstration

, Authors: Yipeng Yin, Reed Arneson, Alexander Apostle, Adikari Eriyagama, Komal Chillar, Emma Burke, Martina Jahfetson, Yinan Yuan, Shiyue Fang
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-79qj3
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of Isoxeniolide A

, Authors: Leo Betschart, Karl-Heinz Altmann
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-xdfjq
 
Subject: Chemistry
,
Review
, Title:

Emerging hyperfluorescent emitters for solid-state lighting

, Authors: SANTOSH KUMAR BEHERA, Rubén Costa
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-6j8nn
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of Antibacterial Manganese(I) Tricarbonyl Complexes through Combinatorial Chemistry

, Authors: Mirco Scaccaglia, Giorgio Pelosi, Silvana Pienlli, Angelo Frei
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-r66jc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

FRET-sensing of multivalent protein binding at the interface of targeted biomimetic microparticles functionalized with tunable fluorescent lipids

, Authors: Sophie Michelis, Chiara Pompili, Florence Niedergang, Jacques Fattaccioli, Blaise Dumat, Jean-Maurice Mallet
Version undefined posted 09 October 2023
Posted
Oct 09, 2023
10.26434/chemrxiv-2023-7cfwq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Up Up Down Down Left Right Left Right B A Start for the Catalytic Hackers of Programmable Materials

, Authors: Paul Dauenhauer
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-rftqg
 
Subject: Chemistry
,
Working Paper
, Title:

Stochastic electrochemical measurement of biofouling layer on gold

, Authors: Sina S. Jamali, Samuel V. Somerville, Justin J. Gooding
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-56p2r
 
Subject: Chemistry
,
Working Paper
, Title:

Digital DNA Strand Displacement for Molecular Computing

, Authors: Linghao Zhang, Huixiao Yang, Xinmiao Kang, Yumin Yan, Jiong Huang, Hongyang Zhao, Jiayu Yang, Xin Su
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-smkqb
 
Subject: Chemistry
,
Review
, Title:

NIR fluorophores clinically assessed for fluorescence guided surgery

, Authors: Yuan Ge, Donal O'Shea
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-wh8tn
 
Subject: Chemistry
,
Working Paper
, Title:

Piperazine-fused cyclic disulfides: high-performance bioreduction-activated cores for bifunctional probes and reagents

, Authors: Lukas Zeisel, Jan G. Felber, Karoline C. Scholzen, Carina Schmitt, Alexander J. Wiegand, Leonid Komissarov, Elias S. J. Arnér, Oliver Thorn-Seshold
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-tm21m-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical imaging of sphingolipids and phospholipids at the single amyloid-β plaque level in post-mortem human Alzheimer’s disease brain

, Authors: Wojciech Michno, Andrew Bowman, Durga Jha, Karolina Minta, Junyue Ge, Srinivas Koutarapu, Henrik Zetterberg, Kaj Blennow, Tammaryn Lashley, Ron Heeren, Jörg Hanrieder
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-zt864
 
Subject: Chemistry
,
Working Paper
, Title:

Attraction Between Like Charged Ions in Ionic Liquids: Unveiling the Enigma of Tetracyanoborate Anions

, Authors: Kateryna Goloviznina, Eduards Bakis, Frederik Philippi, Nicolas Scaglione, Toms Rekis, Laura Laimina, Margarida Costa Gomes, Agilio Padua
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-f3b4l
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and evaluation of novel sustainable aliphatic plasticizers into different polymer systems.

, Authors: Agathe Mouren, Eric Pollet, Luc Avérous
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-bcjnw
 
Subject: Chemistry
,
Working Paper
, Title:

Probing the work generated by the autonomous rotation around a single ruthenium atom in an organometallic complex

, Authors: Xun Li, Yohan Gisbert, Maxime Ledent, Damien Sluysmans, Gwénaël Rapenne, Claire Kammerer, Anne-Sophie Duwez
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-mgq5f-v3
 
Subject: Chemistry
,
Working Paper
, Title:

A Systematic Study of Methyl Carbodithioate Esters as Effective Gold Contact Groups for Single-Molecule Electronics

, Authors: Jonathan Ward, Andrea Vezzoli, Craig Robertson, Richard Nichols, Simon Higgins
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-d1n9d
 
Subject: Chemistry
,
Working Paper
, Title:

A Bioinspired Cell Membrane Disruptor Opens Pyroptosis-deficient Cells Membrane and Ignites Powerful Antitumour Immune Function

, Authors: Qinyang Wang, Xiaoqu Hu, Hao Yin, Tanzhou Chen, Danli Xie, Yida Li, Hanqian Zheng, Mingdong Lu
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-t4ll1
 
Subject: Chemistry
,
Working Paper
, Title:

A High Throughput Synthetic Workflow For Solid State Reactions

, Authors: Christopher Hampson, Moli Smith, Luca Arciero, Christopher Collins, Luke Daniels, Troy Manning, Michael Gaultois, John Claridge, Matthew Rosseinsky
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-lmc10
 
Subject: Chemistry
,
Working Paper
, Title:

Impedance of nanocapacitors from molecular simulations to understand the dynamics of confined electrolytes

, Authors: Giovanni Pireddu, Connie Fairchild, Samuel Niblett, Stephen J. Cox, Benjamin Rotenberg
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-2ccrw
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanophotocatalysis

, Authors: Francis Millward, Eli Zysman-Colman
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-qbd0s
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing the Electronic and Optical Properties of Lanthanum Diselenide: a computational study

, Authors: Lanjing Huo, Christopher Savory
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-8jn8b-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Triazenolysis of Alkenes: Aza-version of Ozonolysis

, Authors: Aleksandr Koronatov, Pavel Sakharov, Alexander Kaushansky, Natalia Fridman, Mark Gandelman
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-h5jnz
 
Subject: Chemistry
,
Working Paper
, Title:

First dehydrogenation of ethanol catalyzed by a single atom of d-block metals

, Authors: Kaitlyn Wiegand, Ruitao Wu, Peshala Jayamaha, Delaney Collazo, Lichang Wang
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-h618h
 
Subject: Chemistry
,
Working Paper
, Title:

Solvent-base mismatch enables the deconstruction of epoxy polymers and bisphenol A recovery

, Authors: Hongwei Sun, Alexander Aahrens, Gabriel Batista, Bjarke Donslund, Anne Ravn, Emil Schwibinger, Ainara Flores, Troels Skrydstrup
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-207wl
 
Subject: Chemistry
,
Working Paper
, Title:

Tailored Functional Monolayers Made from Mesoionic Carbenes

, Authors: Emmanuel Maisonhaute, Omar Sadek, Jad Rabah, Dimitri Mercier, Philippe Marcus, Clément Chauvier, François Ribot, Louis Fensterbank
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-dcwqr
 
Subject: Chemistry
,
Working Paper
, Title:

How does structured adsorbent channel heterogeneity influence the efficiency of adsorptive CO2 capture?

, Authors: Benjamin Claessens
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-0wdsk
 
Subject: Chemistry
,
Working Paper
, Title:

Metal Ions Turn on a Stereoselective Nonenzymatic Reduction of Keto Acids by the Coenzyme NADH

, Authors: Robert Mayer, Joseph Moran
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-jdhxk
 
Subject: Chemistry
,
Working Paper
, Title:

An At-Home Compatible Calorimetry Experiment Using Drug Store Clinical Thermometers

, Authors: Oğuz Kuçukosman, Jaren Harrell, Donna Garandouka, Ashutosh Sahoo, Ageliki Karagiannis, Courtney Sobers
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-4nswv
 
Subject: Chemistry
,
Working Paper
, Title:

Tolman Electronic Parameter Predictions from a Fast, Accurate, and Robust Machine Learning Model Provide Insight into Phosphine Ligand Electronic Effects

, Authors: Daniel Ess, Justin Kirkland, Harlan Stevens, Jeffrey Olsen
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-wjnpj
 
Subject: Chemistry
,
Working Paper
, Title:

Hybrid Edge Results in Narrowed Band Gap: Bottom-up Liquid-phase Synthesis of Bent N=6/8 Armchair Graphene Nanoribbons

, Authors: Gang Li, Hanfei Wang, Michael Loes, Anshul Saxena, Jiangliang Yin, Mamun Sarker, Shinyoung Choi, Narayana Aluru, Joseph Lyding, Alexander Sinitskii, Guangbin Dong
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-7zf5c
 
Subject: Chemistry
,
Working Paper
, Title:

Calcination Heterogeneity in Li-rich Layered Oxides: a Systematic Study of Li2CO3 Particle Size

, Authors: Grace Busse, Peter Csernica, Kipil Lim, Junghwa Lee, Zhelong Jiang, Diego Rivera, Young Jin Kim, David Shapiro, William E. Gent, William C. Chueh
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-230kn
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical bond overlap descriptors from multiconfiguration wavefunctions

, Authors: Carlos Santos-Jr, Renaldo Moura Jr.
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-70tx9
 
Subject: Chemistry
,
Working Paper
, Title:

Click-Capable Phenanthriplatin Derivatives as Tools to Study Pt(II)-Induced Nucleolar Stress

, Authors: Paul O'Dowd, Andres Guerrero, Hannah Pigg, Katelyn Alley, Fiona O’Neill, Justine Meiller, Chloe Hobbs, Daniel Rodrigues, Brendan Twamley, Finbarr O’Sullivan, Victoria DeRose, Darren Griffith
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-jxr9w
 
Subject: Chemistry
,
Working Paper
, Title:

MetalDock: an open access docking tool for easy and reproducible docking of metal complexes

, Authors: Matthijs Hakkennes, Francesco Buda, Sylvestre Bonnet
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2023-5f3q9
 
Subject: Medicine (excluding clinical)
,
Working Paper
, Title:

Prothrombin and factor V polymorphisms in a Latin American cohort with heart failure and type 2 diabetes.

, Authors: María Juliana Estévez Gómez, Diego Andrey Acevedo Peña, Silvia Fernanda Castillo Goyeneche, Anderson Felipe Arias, Luis Andres Dulcey, Jaime Gomez, Carlos Hernandez, Juan Sebastian Theran Leon, Raimondo Caltagirone, Edgar Blanco, Maria Ciliberti
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.33774/coe-2023-10cgn
 
Subject: Chemistry
,
Working Paper
, Title:

In-Situ Monitoring of Mechanochemical MOF Formation by NMR Relaxation Time Correlation

, Authors: Madeleine Leger, Jiangfeng Guo, Bryce MacMillan, Hatem Titi, Tomislav Friscic, Barry Blight, Bruce Balcom
Version undefined posted 10 October 2023
Posted
Oct 10, 2023
10.26434/chemrxiv-2021-rbj0t-v2
 
Subject: Chemistry
,
Working Paper
, Title:

C-H Chalcogenation by a Bromide Rich and Environmentally Benign Orthorhombic CsPbBr3 under Visible Light, Polar Media and Aerobic Condition

, Authors: Ashis Mathuri, Buddhadeb Pal, MILAN PRAMANIK, Anupam Manna, Prasenjit Mal
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-rs2zh
 
Subject: Chemistry
,
Working Paper
, Title:

Effects of Holding Time on the Properties of Recycled Aluminum-Copper-Cullet Metal Composites

, Authors: Awwal Hussain Nuhu, Suzi Salwah Jikan, Saliza Asman, Nur Azam Badarulzaman, Muhammad Zago Dagaci, Abdullahi Tijjani
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-zd3r0
 
Subject: Chemistry
,
Working Paper
, Title:

Nanoscale detection and real-time monitoring of free radicals in a single living cell under the stimulation of targeting moieties using a nanodiamond quantum sensor

, Authors: Kaiqi Wu, Qi Lu, Maabur Sow, Priyadharshini Balasubramanian, Fedor Jelezko, Yingke Wu, Tanja Weil
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-m9zhf
 
Subject: Chemistry
,
Working Paper
, Title:

Biomass-based curing agents for sustainable leather processing

, Authors: Md. Abu Jafor Siddiki, Md. Jawad Hasan, Uttam Kumar Roy, Md. Aftab Ali Shaikh, Md. Mokarom Hossain
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-13phq-v2
 
Subject: Chemistry
,
Review
, Title:

Organopalladium Catalysis as a Proving Ground for Data-Rich Approaches to Reaction Development and Quantitative Predictions

, Authors: Jingru Lu, David Leitch
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-2078b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Enolate addition to bicyclobutanes enables expedient access to 2-oxo-bicyclohexane scaffolds

, Authors: Kyla Woelk, Kushal Dhake, Nathan Schley, David Leitch
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-vt063-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Oxide Ion Dynamics in Hexagonal Perovskite Mixed Conductor Ba7Nb4MoO20: A Comprehensive Ab Initio Molecular Dynamics Study

, Authors: Bettina Schwaighofer, Markus Appel, Miguel Angel Gonzalez, Ivana Radosavljevic Evans
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-2mf82
 
Subject: Chemistry
,
Working Paper
, Title:

Nitronyl Nitroxide-Substituted Benzotriazinyl Tetraradical

, Authors: Evgeny Tretyakov, Igor Zayakin, Alexey Dmitriev, Matvey Fedin, Galina Romanenko, Artem Bogomyakov, Anna Akyeva, Mikhail Syroeshkin, Naoki Yoshioka, Nina Gritsan
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-p4f9l
 
Subject: Chemistry
,
Working Paper
, Title:

Size-resolved identification and quantification of micro/nano-plastics in indoor air using pyrolysis gas chromatography-ion mobility mass spectrometry

, Authors: Mahin Hashemihedeshi, Ethan Haywood, Daniel Gatch, Liisa Jantunen, Paul Helm, Miriam Diamond, Frank Dorman, Lindsay Cahill, Karl Jobst
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-rvnn0
 
Subject: Chemistry
,
Working Paper
, Title:

Bis(pinacolato)diboron-Enabled Ni-Catalyzed Reductive Coupling of Alkyl with Aryl/Vinyl Electrophiles

, Authors: Deli Sun, Yuxin Gong, Yunrong Chen, Hegui Gong
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-4l672
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction of Order Parameters based on Protein NMR Structure Ensemble and Machine Learning

, Authors: Qianqian Wang, Zhiwei Miao, Xiongjie Xiao, Xu Zhang, Daiwen Yang, Bin Jiang, Maili Liu
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-ds62s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Applying Nuclear Forward Scattering as in situ and operando Tool for the Characterization of FeN4 moieties in the hydrogen evolution reaction

, Authors: Nils Heppe, Charlotte Gallenkamp, Rifael Snitkoff-Sol, Stephen Paul, Nicole Segura-Salas, Dominik Moritz, Bernd Kaiser, Wolfram Jaegermann, Vasily Potapkin, Atefeh Jafari, Volker Schünemann, Olaf Leupold, Lior Elbaz, Vera Krewald, Ulrike Kramm
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-sk5sr
 
Subject: Chemistry
,
Working Paper
, Title:

Calcium as a Mediator for the Electrochemical Synthesis of NH3

, Authors: Ishita Goyal, Nishithan Kani, Rajan Bhawnani, Aayush Singh, Joseph Gauthier, Meenesh Singh
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-zchlg
 
Subject: Chemistry
,
Working Paper
, Title:

A Quantum Definition of Molecular Structure

, Authors: Lucas Lang, Henrique Musseli Cezar, Ludwik Adamowicz, Thomas Bondo Pedersen
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-mrxng-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Superior Prediction of Graphene Nanoflake Properties with Unbiased Graph Embedding

, Authors: Nathan Hu, Amanda Parker
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-g5ft2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis, Isolation, and Study of a Heterobimetallic Uranyl Crown-Ether Complex

, Authors: Riddhi Golwankar, Alexander Ervin, Malgorzata Makos, Emily Mikeska, Vassiliki-Alexandra Glezakou, James Blakemore
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-qb7cc
 
Subject: Chemistry
,
Working Paper
, Title:

A General Strategy for N–(Hetero)aryl Piperidine Synthesis Using Zincke Imine Intermediates

, Authors: Jake D. Selingo, Jacob W. Greenwood, Mary Katherine Andrews, Chirag Patel, Andrew J. Neel, Barbara Pio, Michael Shevlin, Eric M. Phillips, Matthew L. Maddess, Andrew McNally
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-68575
 
Subject: Chemistry
,
Working Paper
, Title:

Can Mesoscopic Persistent Currents Thrive in Metal Nanoparticles at Room Temperature?

, Authors: Siddharth Ghosh
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-swb13
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling the Energy Storage Mechanism of MXenes under the Acidic Condition through Transitions of Surface Functionalizations

, Authors: Zheng Bo, Yucheng Chen, Qian Yu, Jianhua Yan, Kefa Cen, Zhu Liu
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-0hnvj
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular origins of the ultrafast relaxation of a photoexcited hydrated electron

, Authors: Amiel Paz, William Glover
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-5kl9x
 
Subject: Chemistry
,
Working Paper
, Title:

Secondary Metal-Ligand Interactions Supported Copper(I) Emitters for High-Efficiency OLEDs

, Authors: Ao Ying, Yao Tan, Shaolong Gong
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-jrf4l
 
Subject: Chemistry
,
Working Paper
, Title:

Photocatalytic chloride to chlorine conversion by ionic iron in aqueous aerosols: A combined experimental, quantum chemical and chemical equilibrium model study

, Authors: Marie Kathrine Mikkelsen, Jesper Baldtzer Liisberg, Maarten M. J. W. van Herpen, Kurt V. Mikkelsen, Matthew S. Johnson
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-dcx32
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Heterocycle C–H Alkenylation via Dual Catalysis Using a Palladacycle Precatalyst: Multifactor Optimization and Scope Exploration Enabled by High-Throughput Experimentation

, Authors: Nahiane Pipaon-Fernandez, Odhran Cruise, Sarah Easton, Justin Kaplan, John Woodard, Damian Hruszkewycz, David Leitch
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-2ffdr
 
Subject: Chemistry
,
Working Paper
, Title:

High entropy hexagonal manganites for fast oxygen absorption and release

, Authors: Frida Hemstad Danmo, Aamund Westermoen, Kenneth Marshall, Dragos Stoian, Tor Grande, Julia Glaum, Sverre M. Selbach
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-xtqq8
 
Subject: Chemistry
,
Working Paper
, Title:

BASHY Dyes Are Highly Efficient Lipid Droplet-targeting Photosensitizers That Induce Ferroptosis Through Lipid Peroxidation

, Authors: Maria Silva, Yiyi Zhang, Robin Vinck, Fábio Santos, João António, Lisa Gourdon-Grünewaldt, Charlotte Zaouter, Annie Castonguay, Shunmoogum Patten, Kevin Cariou, Francisco Boscá, Francisco Nájera, Jesús Arteaga, Gilles Gasser, Uwe Pischel, Pedro Gois
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-03s0m-v2
 
Subject: Chemistry
,
Working Paper
, Title:

HSQC Spectra Simulation and Matching for Molecular Identification

, Authors: Martin Priessner, Anna Tomberg, Jon Paul Janet, Richard J. Lewis, Jonathan M. Goodman, Magnus J. Jonahnsson
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.26434/chemrxiv-2023-x4b1g
 
Subject: General Science
,
Working Paper
, Title:

Logic, mathematics, physics: from a loose thread to the close link: Or what gravity is for both logic and mathematics rather than only for physics

, Authors: Vasil Penchev
Version undefined posted 11 October 2023
Posted
Oct 11, 2023
10.33774/coe-2023-0rjbp
 
Subject: Chemistry
,
Review
, Title:

Fuel Cells - An Overview of Their Green Value and Readiness Levels

, Authors: Adedayo Adeyanju
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-mxg14
 
Subject: Chemistry
,
Working Paper
, Title:

A fluorescence approach for an online measurement technique of atmospheric microplastics

, Authors: Jürgen Gratzl, Teresa M. Seifried, Dominik Stolzenburg, Hinrich Grothe
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-qzhr8
 
Subject: Chemistry
,
Working Paper
, Title:

Ground State Orbital Analysis Predicts S1 Charge Transfer in Donor–Acceptor Materials

, Authors: Ali Abou Taka, John M. Herbert, Laura M. McCaslin
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-1xz7b-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Natural Dye and Bioactive Secondary Metabolites in Lonchocarpus Cyanescens Benth (Fabaceae) Plant Using Liquid Chromatography-High-Resolution Mass Spectrometry and Compound DiscovererTM Software

, Authors: Tanvir Amit, Luis Colón
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-ggwtj
 
Subject: Film, Media, Mass Communication
,
Working Paper
, Title:

Nepal Television's Comedy Serials and Impact Among the People of Nepal

, Authors: Madhusudan Neupane, Basanta Kumar Rupakheti
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.33774/coe-2023-xtt74
 
Subject: Education
,
Presentation
, Title:

Navigating the Complex Student Journey in Health Professions

, Authors: Janus van As, Richard Cooke
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.33774/coe-2023-0tjr0
 
Subject: Chemistry
,
Working Paper
, Title:

Unlocking the potential of oxidative asymmetric catalysis with continuous flow electrochemistry

, Authors: Peng-Yu Chen, Chong Huang, Liang-Hua Jie, Bin Guo, Shaobin Zhu, Hai-Chao Xu
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-swzhd
 
Subject: Chemistry
,
Working Paper
, Title:

Click and shift: the effect of triazole on solvatochromic dyes

, Authors: Jean Rouillon, Carlos Benitez-Martin, Morten Grøtli, Joakim Andréasson
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-tpp8b
 
Subject: Chemistry
,
Working Paper
, Title:

How poisoning is avoided in a step of relevance to the Haber-Bosch catalysis

, Authors: Shivam Tripathi, Luigi Bonati, Simone Perego, Michele Parrinello
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-0zzcd
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of crystal structure on the lattice thermal conductivity of the IV-VI chalcogenides

, Authors: Sophie Guillemot, Ady Suwardi, Nikolas Kaltsoyannis, Jonathan Skelton
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-5q2v1
 
Subject: Chemistry
,
Working Paper
, Title:

Diazene-Catalyzed Oxidative Alkyl Halide-Olefin Metathesis

, Authors: Julian Kellner-Rogers, Rina Wang, Tristan Lambert
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-v1rbg
 
Subject: Chemistry
,
Working Paper
, Title:

Enzymatic Activity Profiling Using an Ultra-Sensitive Array of Chemiluminescent Probes for Bacterial Classification and Characterization

, Authors: Omri Shelef, Tal Kopp, Rozan Tannous, Moriah Jospe-Kaufman, Maxence Arutkin, Shlomi Reuveni, Doron Shabat, Micha Fridman
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-7bcfs
 
Subject: Chemistry
,
Working Paper
, Title:

Diastereoselective self-assembly of low-symmetry PdnL2n nanocages through coordination-sphere engineering

, Authors: Paulina Molinska, Andrew Tarzia, Louise Male, Kim Jelfs, James Lewis
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-0wzz0
 
Subject: Chemistry
,
Working Paper
, Title:

Liquid DNA coacervates form porous capsular hydrogels via viscoelastic phase separation on microdroplet interface

, Authors: Masamune Morita, Tetsuro Sakamoto, Shin-ichiro M. Nomura, Satoshi Murata, Miho Yanagisawa, Masahiro Takinoue
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-jvs7d
 
Subject: Chemistry
,
Working Paper
, Title:

Enantiospecific Cross-coupling of Cyclic Alkyl Sulfones

, Authors: Zachary T. Ariki, Roberto Nolla-Saltiel, Stefanie Schiele, Jana Alpin, Yasuyo Tahara, Masakazu Nambo, Cathleen M. Crudden
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-rqhmz
 
Subject: Chemistry
,
Working Paper
, Title:

A Supported Ziegler-Type Organohafnium Site Metabolizes Polypropyl-ene

, Authors: Kavyasripriya Samudrala, Matthew Conley
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-n2wct
 
Subject: Chemistry
,
Working Paper
, Title:

Wavelength Tunable Infrared Perfect Absorption in Plasmonic Nanocrystal Monolayers

, Authors: Woo Je Chang, Zarko Sakotic, Alexander Ware, Allison M. Green, Benjamin J. Roman, Kihoon Kim, Thomas M. Truskett, Daniel Wasserman, Delia J. Milliron
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-jhhm2
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmarking the MBE, FMO, and CPF GPU-Accelerated Fragmentation Methods for Accuracy and Parallel Time-to-Solution

, Authors: Fazeleh Kazemian, Jorge Galvez Vallejo, Andrew Gilbert, Zoe Seeger, Ekaterina Izgorodina, Giuseppe Maria Junior Barca
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-c9nrf
 
Subject: Chemistry
,
Working Paper
, Title:

Systematic Evolution of High-affinity ssDNA Sequence to Carbon Nanotube

, Authors: Dakyeon Lee, Jaekang Lee, Woojin Kim, Yeongjoo Suh, Jiwoo Park, Sungjee Kim, YongJoo Kim, Sunyoung Kwon, Sanghwa Jeong
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-vs1db
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluating development of empirical estimates using two top-down methods at midstream natural gas facilities

, Authors: Jenna Brown, Matthew Harrison, Tecle Rufael, Selina Roman-White, Gregory Ross, Fiji George, Daniel Zimmerle
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-9j9ht
 
Subject: General Science
,
Working Paper
, Title:

Outbound Insights (FoR OI2)

, Authors: Heather Brindley
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.33774/coe-2023-kbr25
 
Subject: Chemistry
,
Working Paper
, Title:

Resonance Theory of Vibrational Polariton Chemistry at the Normal Incidence

, Authors: Wenxiang Ying, Michael Taylor, Pengfei Huo
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-3chzx
 
Subject: General Science
,
Working Paper
, Title:

Mosaic Provenance

, Authors: Heather Brindley
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.33774/coe-2023-wvr4s
 
Subject: General Science
,
Working Paper
, Title:

Andamento

, Authors: Heather Brindley
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.33774/coe-2023-t2fv9
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Ultra-small size Orthorhombic CsPbBr3 Perovskite Nanocrystal

, Authors: Anupam Manna, Prasenjit Mal
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-8t44t
 
Subject: Chemistry
,
Working Paper
, Title:

Introducing SpectraFit: An Open-Source Tool for Interactive Spectral Analysis.

, Authors: Anselm W. Hahn, Joseph Zsombor-Pindera, Pierre Kennepohl, Serena DeBeer
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-cdrxf
 
Subject: Chemistry
,
Working Paper
, Title:

Diverse Metastable Diarylacetonitrile Radicals Generated by Polymer Mechanochemistry

, Authors: Takumi Yamamoto, Daisuke Aoki, Koichiro Mikami, Hideyuki Otsuka
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-ss0w5
 
Subject: Chemistry
,
Working Paper
, Title:

Neuroengineering: ferromagnetic nano (micro) implants. Magnetic-hypnotic effect control of animal behavior by an external magnetic field

, Authors: Sergey Varfolomeev, Valeriy Kalinichenko, Yuriy Kuznetsov, Valeriy Bykov, Irina Gachok, Svetlana Tsybenova
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-4bft7
 
Subject: Chemistry
,
Working Paper
, Title:

A High Efficiency Gas Phase Photoreactor for Eradication of Methane from Low-Concentration Sources

, Authors: Morten Krogsbøll, Hugo S. Russell, Matthew S. Johnson
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.26434/chemrxiv-2023-s7fbl
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Can Cyber Attacks Put An End To The Russo-Ukrainian Conflict?

, Authors: Ahmad Mohee
Version undefined posted 12 October 2023
Posted
Oct 12, 2023
10.33774/apsa-2023-n4h4w
 
Subject: Chemistry
,
Working Paper
, Title:

Nanographene-based Metal-Organic Frameworks for Engineering Energy Transfer Pathways

, Authors: Junghye Lee, Eunhye Hwang, Tae In Kim, Eunji Jin, Eunchan Cho, Young S. Park, Seung Kyu Min, Tae-Hyuk Kwon, Wonyoung Choe
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-tbfns
 
Subject: Chemistry
,
Working Paper
, Title:

Can Iron-porphyrins behave as Single-molecule Magnets?

, Authors: Aritra Mukhopadhyaya, Md. Ehesan Ali
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-cw81p
 
Subject: Chemistry
,
Working Paper
, Title:

Does Storage Post Sampling Influence the Stability of Sebum when used for Mass Spectrometry Metabolomics Analysis?

, Authors: Caitlin Walton-Doyle, Eleanor Sinclair, Humayra Begum, Katherine Hollywood, Drupad Trivedi, Perdita Barran
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-wxv2b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Carbon Bond Catalysis: Dialkyl Sulfates, Alkyl Sulfonates and Alkyl Hal-ides as Catalysts in Acetal Forming and Related Reactions

, Authors: Rajendar Goreti, Tanmay Sarkar, Reyno R. S., Keerthana S
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-1xg7v-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The maximal and current accuracy of rigorous protein-ligand binding free energy calculations

, Authors: Gregory A Ross, Chao Lu, Guido Scarabelli, Steven K. Albanese, Evelyne Houang, Robert Abel, Edward D. Harder, Lingle Wang
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2022-p2vpg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond strain release: Delocalization-enabled organic reactivity

, Authors: Alistair Sterling, Russell Smith, Edward Anderson, Fernanda Duarte
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2021-n0xm9-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Polymer brush bilayer under non-equilibrium shear inversion: An MD simulation approach

, Authors: Mike Edwards
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-ls2md-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Polyelectrolyte Complex Hydrogel Scaffoldings Enable Extrusion-based 3D Bioprinting of Low-Viscosity Bioinks

, Authors: Tobias Gockler, Defu Li, Alisa Grimm, Felix Mecklenburg, Michael Grün, Ute Schepers, Samanvaya Srivastava
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-v2tx2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Overcoming the Strong Metal-support Interaction in Ni Clusters/TiO2 Catalyst for Selective CO2 Hydrogenation

, Authors: Jin-Ying Li, Xiao-Meng Lai, Hao Gu, Cong-Xiao Wang, Xin-Pu Fu, Wei-Wei Wang, Qiang Fu, Feng Ryan Wang, Chao Ma, Chunjiang Jia
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-bm0gl
 
Subject: Chemistry
,
Working Paper
, Title:

The decisive role of CuI-framework O binding in oxidation half cycle of selective catalytic reduction

, Authors: Yiyun Liu, Jasper Berry-Gair, Zhipeng Wang, Liqun Kang, Bolun Wang, Xuze Guan, Sushila Marlow, Junrun Feng, Loredana Mantarosie, David Thompsett, Misbah Sarwar, Maria Pia Ruggeri, Shusaku hayama, Furio Cora, Feng Ryan Wang
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-xljnc
 
Subject: Chemistry
,
Working Paper
, Title:

Moisture-Assisted Hydroboration of Nitriles and Conversion Thereof to N-Heterocyles and N-Containing Derivatives

, Authors: Hoai Son Doan, Khanh Binh Mai, Thanh Vinh Nguyen
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-8f8n8
 
Subject: Chemistry
,
Working Paper
, Title:

Cyclic Peptides as Aggregation Inhibitors for Sickle Cell Disease

, Authors: Vasco Neto, Bruno Victor, Nuno Galamba
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-qrzl0
 
Subject: Chemistry
,
Working Paper
, Title:

Protein Stability in a Natural Deep Eutectic Solvent: Preferential Hydration or Solvent Slaving?

, Authors: Inês Gomes, Nuno Galamba
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-7l8l3
 
Subject: Chemistry
,
Working Paper
, Title:

Nanoporous Materials as Carriers of Hydrogen Peroxide Vapour: a New Bio-Decontamination Technology

, Authors: Fadhil Musa, Raquel Nogueira, Margarida Beiral, Fernando Antunes, João Pires
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-0701v
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerating antibiotic discovery by leveraging machine learning models: Application to identify novel inorganic complexes

, Authors: Miroslava Nedyalkova, Gözde Demirci, Youri Cortat, Kevin Schindler, Fatlinda Rhamani, Aleksandar Pavic, Fabio Zobi, Marco Lattuada
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-6hngt-v2
 
Subject: Chemistry
,
Review
, Title:

Earth materials like Bauxite Ore as Strategic Material for Advanced Technological Applications and Beyond

, Authors: Mamadou Kalan DIALLO
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-ckc3m
 
Subject: Chemistry
,
Working Paper
, Title:

The Surface of Colloidal Nanoparticles Revealed by Vibrational Sum Frequency Scattering Spectroscopy

, Authors: Ashley Mapile, Michael LeRoy, Kevin Fabrizio, Lawrence Scatena, Carl Brozek
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-bf7wr
 
Subject: Chemistry
,
Working Paper
, Title:

Application of Taylor Vortex Flow Reactor Enabling Precise Control of Nucleation in Reactive Crystallization

, Authors: Masahiro Hosoya, Atsushi Manaka, Takahiro Kawajiri, Takafumi Ohara
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-qlgqq
 
Subject: Chemistry
,
Working Paper
, Title:

Sodium Carbonate ion complexes modify water structure at electrode interfaces

, Authors: Amro Dodin, Gang-Hua Deng, Jaclyn A. Rebstock, Quansong Zhu, David T. Limmer, L. Robert Baker
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-ptff7
 
Subject: Chemistry
,
Working Paper
, Title:

In situ formation of a melt-solid interface towards stable oxygen reduction in protonic ceramic fuel cells

, Authors: Desheng Feng, Mengran Li, Vanessa K Peterson, Rijia Lin, Anita D'Angelo, Olexandra Marenych, Anya Yago, Bin Zulkifli Muhammad Yazid, Shuai Gao, Tianjiu Zhu, Yuming Wu, Zhonghua Zhu
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-lgxmt
 
Subject: Chemistry
,
Working Paper
, Title:

Fixing flavins: hijacking a flavin transferase for equipping flavoproteins with a covalent flavin cofactor

, Authors: Yapei Tong, Saniye Kaya, Sara Russo, Henriette Rozeboom, Hein Wijma, Marco Fraaije
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-sbcdx
 
Subject: Chemistry
,
Working Paper
, Title:

Organocatalytic Asymmetric α-C-H Functionalization of Alkyl Amines

, Authors: Tianran Deng, Xiang-Lei Han, Cheng Cheng, Xiangyuan Liu, Yang Yu, Yuhong Gao, Keqiang Wu, Zhenghua Li, Jisheng Luo, Li Deng
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.26434/chemrxiv-2023-flm08
 
Subject: Philosophy
,
Working Paper
, Title:

Where the truth lies: a paraconsistent approach to Bayesian epistemology

, Authors: Walter Carnielli, Juliana Bueno-SOler
Version undefined posted 13 October 2023
Posted
Oct 13, 2023
10.33774/coe-2023-z9jv2
 
Subject: Medicine (excluding clinical)
,
Working Paper
, Title:

Relationship between androgen receptor gene polymorphism and endothelial function in men with type 2 diabetes mellitus

, Authors: Maria Estevez, Diego Acevedo, Silvia Castillo, Anderson Arias, Luis Dulcey, Jaime Gomez, Carlos Hernandez, Juan Theran, Raimondo Caltagirone, Edgar Blanco, Maria Ciliberti, Silvia Calderon, Emily Gutierrez, Angie Lizcano, Maria Amaya, Diego Lobo, Santiago Bermudez
Version undefined posted 15 October 2023
Posted
Oct 15, 2023
10.33774/coe-2023-clgmd
 
Subject: Medicine (excluding clinical)
,
Working Paper
, Title:

Male hypogonadism and MAR IgG antibodies linked to type 1 diabetes mellitus in a South American cohort.

, Authors: Diego Lobo, Luis Dulcey, Jaime Gomez, Carlos Hernandez, Juan Theran, Raimondo Caltagirone, Maria Amaya, Maria Estevez, Diego Acevedo, Silvia Goyeneche, Anderson Arias, Edgar Blanco, Maria Ciliberti, Silvia Calderon, Emily Gutierrez, Angie Lizcano
Version undefined posted 15 October 2023
Posted
Oct 15, 2023
10.33774/coe-2023-gg4ng
 
Subject: Chemistry
,
Review
, Title:

Synthesis and Biological Activity of Penaresidins A and B, Penazetidine A, and Related Analogs

, Authors: Corinna Schindler, Sean Burns, Timothy McClure, Seren Parikh
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-1k9ls
 
Subject: Chemistry
,
Working Paper
, Title:

Markov state models: to optimize or not to optimize

, Authors: Robert Arbon, Yanchen Zhu, Antonia S. J. S. Mey
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-rrpkw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Exploitation of MOF decomposition mechanisms to tailor MOF-derived carbon structure in mono- and multimetallic PCN-250

, Authors: Joshua A. Powell, Hengyu Lin, Yu-Chuan Hsu, Desirée E. Young, Hong-Cai Zhou
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-gx55c-v3
 
Subject: Chemistry
,
Working Paper
, Title:

QMrebind: Incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations

, Authors: Anupam Anand Ojha, Lane Votapka, Rommie Amaro
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-s4n3r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling the Power of Negative Ion Mode ESI-MS: Identifying Species with Remarkable Signal Intensity and Collisional Stability

, Authors: Benjamin Warnes, Jasmine Chihabi, Jeffrey Manthorpe
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-85mkn-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic study of the atomic layer deposition of cobalt: A combined mass spectrometric and computational approach

, Authors: Sofia Donnecke, Mathias Paul, Serena Chan, Veronica Tse, Jigyasa Sachdeva, Peter J. H. Williams, Allen G. Oliver, Irina Paci, J. Scott McIndoe
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-sspnq-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Statistically derived proxy potentials accelerate geometry optimisation of crystal structures

, Authors: Dmytro Antypov, Christopher M. Collins, Andrij Vasylenko, Vladimir Gusev, Michael W. Gaultois, George R. Darling, Matthew S. Dyer, Matthew J. Rosseinsky
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-c0741
 
Subject: Chemistry
,
Working Paper
, Title:

The role of helicity in PFAS resistance to degradation: DFT simulation of electron capture and defluorination

, Authors: Matt McTaggart, Cecile Malardier-Jugroot
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-lvj76
 
Subject: Chemistry
,
Working Paper
, Title:

Knot data analysis using multiscale Gauss link integral

, Authors: Li Shen, Hongsong Feng, Fengling Li, Fengchun Lei, Jie Wu, Guo-wei Wei
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-s83vq
 
Subject: Chemistry
,
Working Paper
, Title:

Quorum sensing in emulsion droplet swarms driven by a surfactant competition system.

, Authors: Pieter J. de Visser, Dimitrios Karagrigoriou, Anne-Déborah C. Nguindjel, Peter A. Korevaar
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-7r6ks
 
Subject: Chemistry
,
Working Paper
, Title:

Automatic potential energy surface exploration by accelerated reactive MD simulations: from pyrolysis to oxidation chemistry

, Authors: Wassja Kopp, Can Huang, Yuqing Zhao, Peiyang Yu, Felix Schmalz, Lukas Krep, Kai Leonhard
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-j1bgd
 
Subject: Chemistry
,
Working Paper
, Title:

A Tetrahedral Neptunium(V) Complex

, Authors: Julie Niklas, Kaitlyn Otte, Chad Studvick, Sabyasachi Roy Chowdhury, Bess Vlaisavljevich, John Bacsa, Ivan Popov, Henry La Pierre
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-1v00g
 
Subject: Chemistry
,
Working Paper
, Title:

Cation Delocalization and Photo-isomerization Enhance the QY of a Green-light Responsive Photocleavable Protecting Group

, Authors: Albert Marten Schulte, Lianne Smid, Georgios Alachouzos, Wiktor Szymanski, Ben L. Feringa
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-hfmzf
 
Subject: Chemistry
,
Working Paper
, Title:

Autonomous closed-loop mechanistic investigation of molecular electrochemistry via automation

, Authors: Hongyuan Sheng, Jingwen Sun, Oliver Rodríguez, Benjamin Hoar, Weitong Zhang, Danlei Xiang, Tianhua Tang, Avijit Hazra, Daniel Min, Abigail Doyle, Matthew Sigman, Cyrille Costentin, Quanquan Gu, Joaquín Rodríguez-López, Chong Liu
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-psqxj
 
Subject: Chemistry
,
Working Paper
, Title:

Emerging topics – bibliometric-based methodology

, Authors: Julian Ivanov, Alan Lipkus, Haitao Chen, Chris Aultman, Kavita Iyer, Rumiana Tenchov, Qiongqiong Zhou
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-7d37m
 
Subject: Chemistry
,
Working Paper
, Title:

Phototriggered Butenolide Formation from a Cyclobutenedione and an Acidic Nucleophile

, Authors: Kenji Mishiro, Aiko Sesumi, Takanori Fujii, Taniyuki Furuyama, Munetaka Kunishima
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-mh95l
 
Subject: Chemistry
,
Working Paper
, Title:

Co-transcriptional allosteric regulation of synthetic nucleic acid receptors

, Authors: Daniela Sorrentino, Simona Ranallo, Eiji Nakamura, Elisa Franco, Francesco Ricci
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-v9pgb
 
Subject: Chemistry
,
Working Paper
, Title:

In silico investigation of the interaction between α-synuclein aggregates and organic supramolecular assemblies

, Authors: Laura Le Bras, Yves Dory, Benoît Champagne
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-v305j
 
Subject: Chemistry
,
Review
, Title:

Crown Ether Active Template Synthesis of Rotaxanes

, Authors: Stephen Fielden
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-tflfq
 
Subject: Chemistry
,
Working Paper
, Title:

Metastability and polymorphism in dihydroxybenzenes – implications for thermal energy storage

, Authors: Tomas Northam de la Fuente, Mattia Gaboardi, Kalith Ismail, Valerio Di Lisio, Daniele Cangialosi, Alberto Otero-de-la-Roza, Pedro Coto, Felix Fernandez-Alonso
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-7hlkq
 
Subject: Chemistry
,
Working Paper
, Title:

200 GHz single chip dynamic nuclear polarization microsystems

, Authors: Nergiz Sahin Solmaz, Reza Farsi, Giovanni Boero
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-zdk7d
 
Subject: Chemistry
,
Working Paper
, Title:

Flash-within-flash synthesis of gram-scale solid-state materials

, Authors: Chi Choi, Jaeho Shin, Lucas Eddy, Victoria Granja, Kevin Wyss, Bárbara Damasceno, Hua Gao, Guanhui Gao, Yufeng Zhao, C. Fred Higgs, III, Yimo Han, James Tour
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-h2nph
 
Subject: Mathematics
,
Working Paper
, Title:

Developing The Public Health Scotland Whole System Model: A Report

, Authors: Gbeminiyi Joshua Oyedele, Jeremy Budd, Daire Byrne, Xander O'Neill, Yubo Rasmussen, Lars Schewe
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.33774/miir-2023-b53jt
 
Subject: Chemistry
,
Working Paper
, Title:

One-pot Synthesis of a Visible-light Responsive Carbon Nitride/TiO2 Heterointerface Material for Photoelectrocatalytic Applications

, Authors: Ingrid F. Silva, Carolina Pulignani, Jokotadeola Odutola, Alexey Galushchinskiy, Ivo F. Texeira, Mark Isaacs, Camilo A. Mesa, Ernesto Scoppola, Albert These, Bolortuya Badamdorj, Miguel Ángel Muñoz-Márquez, Ivo Zizak, Robert Palgrave, Nadezda V. Tarakina, Sixto Gimenez, Christoph Brabec, Julien Bachmann, Emiliano Cortes, Nikolai Tkachenko, Oleksandr Savateev, Pablo Jiménez-Calvo
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-v4xq7
 
Subject: Chemistry
,
Working Paper
, Title:

Topology switch between AIE and ACQ: a balance of substituents

, Authors: Patryk Rybczyński, Tadeusz Muzioł, Anna Kaczmarek-Kędziera, Borys Osmialowski
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.26434/chemrxiv-2023-3lv53
 
Subject: Computer Science
,
Working Paper
, Title:

On Feasibly Solving NP-complete Problems

, Authors: Frank Vega
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.33774/coe-2023-2jh03
 
Subject: Mathematics
,
Working Paper
, Title:

Computational Technique for Geometric Series with Radicals

, Authors: Chinnaraji Annamalai
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.33774/coe-2023-gw9nn
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The Heisenberg Uncertainty Principle

, Authors: Kok Choy LOH
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.33774/coe-2023-m4bwq-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Geometric Progression-Based Binomial Series for Computing Application

, Authors: Chinnaraji Annamalai
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.33774/coe-2023-8l15w
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

An Algebraic Methodology for Generalizing the Lorentz Transformation Through Quartic Equation Solutions and f(z) gravitational theory

, Authors: WEN-XIANG CHEN
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.33774/coe-2023-nlmjt-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Equation of Prolate Spheroid in Spherical Polar Coordinate System

, Authors: Abolfazl Soltani
Version undefined posted 16 October 2023
Posted
Oct 16, 2023
10.33774/coe-2022-3rz4n-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Design, synthesis, chemical and biological evaluation of 2,5,5-trisubstituted-1,2-thiazepan-6-one 1,1-dioxides

, Authors: Demyd Milokhov, Mykhailo Pomalin, Mykola Balabushko, Vladyslav Holubnychyi, Vasyl Hys, Pavlo Virych, Petro Virych, Nataliia Lukianova, Vasyl Chumachenko, Svitlana Shishkina, Yulian Volovenko, Alexey Dobrydnev
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-m5z1r
 
Subject: Chemistry
,
Working Paper
, Title:

Distinct aggregation and toxicity of N-terminally truncated Abeta4-42 over Abeta1-42 in the presence of Zn(II)

, Authors: Chanju Na, Gunhee Kim, Wojciech Bal, Eunju Nam, Mi Hee Lim
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-061jk
 
Subject: Chemistry
,
Working Paper
, Title:

Chemo- and Enantioselective Intramolecular Silver-Catalyzed Aziridinations of Carbamimidates

, Authors: Tuan Anh Trinh, Yue Fu, Derek Hu, Soren Zappia, Ilia Guzei, Peng Liu, Jennifer Schomaker
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-d4q6z
 
Subject: Chemistry
,
Working Paper
, Title:

Durable Light-Driven pH Switch for CO2 Capture/Release Enabled by Tuning Solvation Environment of Photoacids

, Authors: Anna de Vries, Kateryna Goloviznina, Manuel Reiter, Mathieu Salanne, Maria R. Lukatskaya
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-s60n5-v3
 
Subject: Chemistry
,
Working Paper
, Title:

CONQUEST: Conformer-generator via Quantum Electronic Structure Torsions

, Authors: Jack Miller, Jorge Galvez Vallejo, Giuseppe Maria Junior Barca
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-wx1tr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Characterising conical intersections in DNA/RNA nucleobases with multiconfigurational wave functions of varying active space size

, Authors: Juliana Cuéllar-Zuquin, Ana Julieta Pepino, Ignacio Fernández Galván, Ivan Rivalta, Francesco Aquilante, Marco Garavelli, Roland Lindh, Javier Segarra-Martí
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-m5s0w-v2
 
Subject: Statistics and Probability
,
Working Paper
, Title:

Geospatial Patterns of Alcohol and Tobacco Use in India: A Cluster Analysis of NFHS 4

, Authors: Vishal Tikhute
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.33774/coe-2023-0wf8j
 
Subject: Chemistry
,
Working Paper
, Title:

Novel Computational Chemistry Infrastructure for Simulating Astatide in Water: From Basis Sets to Force Fields Using Particle Swarm Optimization

, Authors: Kennet Espinosa, Alexei Kananenka, Alexander Rusakov
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-jvqhr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Near Infrared Light-Triggered Photocatalytic Decaging for Remote-Controlled Spatiotemporal Activation in Living Mice

, Authors: Xuan Liang, Shan Qian, Zhizheng Lou, Renming Hu, Yuchen Hou, Peng R. Chen, Xinyuan Fan
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-wq085-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Tribological Behaviour of Aluminium-Copper-Cullet Metal Composite

, Authors: Awwal Hussain Nuhu, SUZI Salwah Jikan, SALIZA Asman, NUR AZAM Badarulzaman, ABDULLAHI Tijjani, MUNIRA Khalid
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-5pg50-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging Large Language Models for Predictive Chemistry

, Authors: Kevin Maik Jablonka, Philippe Schwaller, Andres Ortega-Guerrero, Berend Smit
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-fw8n4-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Water-Mediated Charge Transfer and Electron Localization in a Co3Fe2 Cyanide-Bridged Trigonal Bipyramidal Complex

, Authors: Emily Hruska, Quansong Zhu, Somnath Biswas, Matthew Fortunato, Dustin Broderick, Christine Morales, John Herbert, Claudia Turro, L. Robert Baker
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-bp4d8
 
Subject: Chemistry
,
Working Paper
, Title:

Optofluidic Force Induction meets Raman Spectroscopy and Inductively Coupled Plasma – Mass Spectrometry: A new hyphenated technique for comprehensive and complementary characterisations of single particles

, Authors: Christian Neuper, Marko Šimić, Thomas Lockwood, Raquel Gonzalez de Vega, Ulrich Hohenester, Harald Fitzek, Lukas Schlatt, Christian Hill, David Clases
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-hwgll
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing the Stability of Isoniazid(INH) and Phenol Hydrazide Synthons in Tuberculosis Drugs: A Comparative Study via Benzaldehyde-Derived Phenolic Hydrazone Formation

, Authors: Natalie Yeung
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-tmn7d
 
Subject: Chemistry
,
Review
, Title:

Understanding the Dynamic Aggregation in Single Atom Catalysis

, Authors: Laihao Liu, Tiankai Chen, Zhongxin Chen
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-thjhj
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Prussian Blue nanoparticles in water/alcohol mixtures

, Authors: Pavel Khramtsov, Maria Kropaneva, Dmitriy Kiselkov, Artem Minin, Larisa Chekanova, Mikhail Rayev
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-96x4h
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating the catalytic efficiency of supported NHC-Ag(I) com-plexes in Borono-Minisci reaction

, Authors: Giada Moroni, Elena Bombonato, Samuele Bonafè, Alessandro Di Michele, Sara Presenti, Sara Guarienti, Massimo Marcaccio, Roccaldo Sardella, Paolo Ronchi, Antimo Gioiello
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-gpkcs
 
Subject: Chemistry
,
Working Paper
, Title:

Cascade exotherms for rapidly producing hybrid non-isocyanate polyurethane foams from room temperature formulations

, Authors: Maxime Bourguignon, Bruno Grignard, Christophe Detrembleur
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-t48bf
 
Subject: Chemistry
,
Working Paper
, Title:

VOLTA: a tool for battery screening bridging the gap between virtual electrode materials and practical applications

, Authors: Antonio Carnevali, Rosa Palacin, Clare Grey, Alejandro A. Franco
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-vcgnf
 
Subject: Chemistry
,
Working Paper
, Title:

Binding Sites of Bicarbonate in PEP Carboxylase

, Authors: Nicolas Chéron
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-kl8vh
 
Subject: Chemistry
,
Working Paper
, Title:

Flash upcycling of waste glass fiber-reinforced plastics to phase-controllable silicon carbide

, Authors: Yi Cheng, Jinhang Chen, Bing Deng, Weiyin Chen, Karla Silva, Lucas Eddy, Gang Wu, Ying Chen, Bowen Li, Carter Kittrell, Shichen Xu, Tengda Si, Angel Martí, Boris Yakobson, Yufeng Zhao, James Tour
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-bb9b0
 
Subject: Chemistry
,
Working Paper
, Title:

15NRORC: An Azine Labeling Protocol

, Authors: Zachary Tolchin, Joel Smith
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-cb5lg
 
Subject: Chemistry
,
Working Paper
, Title:

Triplet Upconversion Under Ambient Conditions Enables Digital Light Processing 3D Printing

, Authors: Connor O'Dea, Jussi Isokuortti, Emma Comer, Sean Roberts, Zachariah Page
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-f1qhq
 
Subject: Chemistry
,
Review
, Title:

Organic Optoelectronic Devices Based on Through-Space Interaction

, Authors: Jiaqi Peng, Liyuan Hou, Dan Liu, Zheng Zhao, Jianquan Zhang, Zijie Qiu, Ben Zhong Tang
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-4q2v2
 
Subject: Chemistry
,
Working Paper
, Title:

Competitive CO2/H2O Adsorption on CALF-20

, Authors: Tai Nguyen, Bhubesh Balasubramaniam, Nicholas Fylstra, Racheal Huynh, George Shimizu, Arvind Rajendran
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-f3rzv
 
Subject: Chemistry
,
Working Paper
, Title:

Driving t-Butyl Axial: The Effect of Small Spirocyclic Rings on A-Values

, Authors: Anthony Izzotti, James Gleason
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-v2j2l
 
Subject: Chemistry
,
Working Paper
, Title:

The utility of supercritical fluid chromatography for the separation and potential purification of organic light-emitting diode (OLED) materials

, Authors: Tanvir Amit, Luis Colon
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-8dg41
 
Subject: Chemistry
,
Working Paper
, Title:

Calcium-Promoted [3+3] Annulation of Morita-Baylis-Hillman Ketones with 2-Aminobenzothiazoles to Construct Pyrimidobenzothiazoles

, Authors: Rajkiran Kumari, Srinivasan Easwar
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-x7lvt
 
Subject: Chemistry
,
Working Paper
, Title:

Protecting-Group-Free Mechanosynthesis of Amides from Hydroxycarboxylic Acids: Application to the Synthesis of Imatinib

, Authors: Tatsiana Nikonovich, Tatsiana Jarg, Jevgenija Martõnova, Artjom Kudrjašov, Danylo Merzhyievskyi, Marina Kudrjašova, Fabrice Gallou, Riina Aav, Dzmitry Kananovich
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-d4nxn
 
Subject: Chemistry
,
Working Paper
, Title:

Data-driven discovery of intrinsic direct-gap 2D photocatalysts for overall water splitting

, Authors: Yatong Wang, Geert Brocks, Süleyman Er
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.26434/chemrxiv-2023-pn3bw
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Allure and Predicaments of Federalism for Developing Countries

, Authors: Zaman Stanizai
Version undefined posted 17 October 2023
Posted
Oct 17, 2023
10.33774/coe-2023-wvjl3
 
Subject: Chemistry
,
Working Paper
, Title:

Consensus Model of Mechanophore Sensors for Biological Force Measurement

, Authors: Sumit Mittal, Rongsheng E. Wang, Robert Ros, Alison E. Ondrus, Abishek Singharoy
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-ffv8z
 
Subject: Chemistry
,
Working Paper
, Title:

Electrical Anisotropy and its Mitigation in Conductive Polymers Printed by Digital Light Processing

, Authors: David Tilve-Martinez, Wilfrid Neri, Nicolas Vukadinovic, Benoit Berton, Alain Penicaud, Jinkai Yuan, Philippe Poulin
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-b7jfg
 
Subject: Chemistry
,
Working Paper
, Title:

Design rules, accurate enthalpy prediction, and synthesis of stoichiometric Eu3+ quantum memory candidates

, Authors: Zachary W. Riedel, Daniel P. Shoemaker
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-lcm3w-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A COMPARATIVE STUDY ON THE EFFECTS OF Camellia sinensis EXTRACT AND SALICYLIC ACID TOPICAL FORMULATION ON SELECTED STUDENTS WITH ACNE VULGARIS

, Authors: Onyeka Asumah, Nathan Oparaeche
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-ph1mf
 
Subject: Chemistry
,
Working Paper
, Title:

Kraft lignin-derived micro- and mesoporous nitrogen-doped carbon adsorbent for air and water purification

, Authors: Oleg Tkachenko, Alina Nikolaichuk, Nataliia Fihurka, Andreas Backhaus, Julie B. Zimmerman, Maria Strømme, Tetyana Budnyak
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-pg6pq
 
Subject: Chemistry
,
Working Paper
, Title:

Direct C3-functionalization of indoles with alpha-heteroaryl-substituted methyl alcohols via a metal-free hydrogen autotransfer-type reaction

, Authors: Ethan Pazur, Nikhil Tasker, Peter Wipf
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-8tc7m-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Classification of Hemilabile Ligands Using Machine Learning

, Authors: Ilia Kevlishvili, Chenru Duan, Heather Kulik
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-66jqr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

An Accurate and Universal Method for the Anharmonic Vibrational Analysis of the Raman Active C≡C Stretch of Terminal Alkynes

, Authors: Kristina Streu, Sara Hunsberger, Jeanette Patel, Xiang Wan, Clyde A. Daly Jr.
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-2w6xx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Confocal Surface-enhanced Raman Imaging of the Intestine Barrier Crossing Behavior of Dual-functional Plasmonic Nanoplastics in Daphnia magna

, Authors: Anupam Das, Lynn R. Terry, Sage Sanders, Huiyuan Guo
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-z719d-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Discovering a Herbicide Terminator: The Role of Metals in Eliminating Glyphosate by Metal-Organic Frameworks

, Authors: Kyriakos Stylianou, Nan Chieh Chiu, Jacob Lessard, Emmanuel Nyela Musa, Logan Lancaster, Clara Wheeler, Taylor Krueger, Cheng Chen, Trenton Gallagher, Makenzie Nord, Hongliang Huang, Paul Ha-Yeon Cheong, Chong Fang
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-t51x7
 
Subject: Chemistry
,
Working Paper
, Title:

Boosting membrane interactions and antimicrobial effects of photocatalytic titanium dioxide nanoparticles by peptide coating.

, Authors: Lucrezia Caselli, Elisa Parra-Ortiz, Samantha Micciulla, Maximilian Skoda, Sara Malekkhaiat Häffner, Emilie Marie Nielsen, Mariena van der Plas, Martin Malmsten
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-fp4rj
 
Subject: Chemistry
,
Working Paper
, Title:

Catalyst and Medium Control over Rebound Pathways in Manganese-Catalyzed Methylenic C-H Bond Oxidation

, Authors: Marco Galeotti, Massimo Bietti, Miquel Costas
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-q12t1
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting ion diffusion from the shape of potential energy landscapes

, Authors: Hannes Gustafsson, Melania Kozdra, Berend Smit, Senja Barthel, Amber Mace
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-0cdjv
 
Subject: Chemistry
,
Working Paper
, Title:

Mechano-Electron Spin Coupling Modulates the Reactivity of Individual Coronazymes

, Authors: Li Zuo, Jiahao Ji, Pravin Pokhrel, Bishal Pokhrel, Kehao Ren, Hanbin Mao, Hao Shen
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-tt4bh
 
Subject: Chemistry
,
Working Paper
, Title:

Constant-pH Simulations with the Polarizable Atomic Multipole AMOEBA Force Field

, Authors: Andrew Thiel, Matthew Speranza, Sanika Jadhav, Lewis Stevens, Daniel Unruh, Pengyu Ren, Jay Ponder, Jana Shen, Michael Schnieders
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-96z34
 
Subject: Chemistry
,
Working Paper
, Title:

Theoretical basis for interpreting heterodyne chirality-selective sum frequency generation spectra of water

, Authors: Daniel Konstantinovsky, Ty Santiago, Matthew Tremblay, Garth Simpson, Sharon Hammes-Schiffer, Elsa Chui-Ying Yan
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-3vtfc
 
Subject: Chemistry
,
Working Paper
, Title:

Thioimidate Solutions to Thioamide Problems during Peptide Synthesis

, Authors: Jacob Byerly-Duke, Aaron Donovan, Krishna Sharma, Rida Ibrahim, Brett VanVeller
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-3823q
 
Subject: Chemistry
,
Working Paper
, Title:

Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential

, Authors: Zekun Chen, Margaret L. Berrens, Kam-Tung Chan, Zheyong Fan, Davide Donadio
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-sr496
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Freud's Trap in International Politics

, Authors: Yu Chen
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.33774/apsa-2023-s6qff
 
Subject: Religion
,
Working Paper
, Title:

WORLD RELIGION AND HUMAN DEVELOPMENT

, Authors: Vishal Tikhute
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.33774/coe-2023-hx2xq
 
Subject: Chemistry
,
Working Paper
, Title:

Development of stapled NONO-associated peptides reveals unexpected cell permeability and nuclear localisation

, Authors: Reginald Young, Tiancheng Huang, Zijie Luo, Yaw Sing Tan, Amandeep Kaur, Yu Heng Lau
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-1c61c
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluating mass spectrometry based hydroxyl radical protein foot-printing of a benchtop Flash oxidation system against a synchrotron X-ray beamline.

, Authors: Rohit Jain, Nanak S. Dhillon, Kanchustambham Vijayalakshmi, David T. Lodowski, Erik R. Farquhar, Janna Kiselar, Mark R. Chance
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-2dnhh
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Sustainable and Robust Heterogeneous TEMPO Catalyst utilizing Activated Carbon for Aerobic Alcohol Oxidation

, Authors: Jing Luo, Chenghao Zhang, Wei Liu, Yingying Li, Bingqi Xie, Jisong Zhang
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.26434/chemrxiv-2023-v0c8z
 
Subject: Politics and International Relations
,
Working Paper
, Title:

WORLD RELIGION, POLITICS AND HUMAN DEVELOPMENT

, Authors: Vishal Tikhute
Version undefined posted 18 October 2023
Posted
Oct 18, 2023
10.33774/apsa-2023-vhxg6
 
Subject: Chemistry
,
Working Paper
, Title:

Correspondence on “Organo-Mediator Enabled Electrochemical Deuteration of Styrenes”

, Authors: Simon Kolb, Daniel B. Werz
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-1jngz
 
Subject: Chemistry
,
Working Paper
, Title:

Non-idealities in CO2 electroreduction mechanisms revealed by automation-assisted kinetic analysis

, Authors: Joy Zeng, Vineet Padia, Joseph Maalouf, Aditya Limaye, Alexander Liu, Michael Yusov, Ian Hunter, Karthish Manthiram
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-h0zh1
 
Subject: Chemistry
,
Working Paper
, Title:

Toward a General Glycosylation Strategy: Exploring the Dual Functions of Acyl Group Direction in Various Nucleophilic Environments

, Authors: Yongtao Gao, Wenjie Chen, Juan Zhao, Min Yang, Yongliang Zhang, Changsheng Chen, Linbin Yao, Jiayuan Xu, Fei Wang, Bangzhi Zhang, Guofeng Gu, Bencan Tang, Feng Cai
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-zmb05
 
Subject: Chemistry
,
Working Paper
, Title:

Long-term performance of epoxy-based coatings: Hydrothermal exposure

, Authors: Hossein Zargarnezhad, Dennis Wong, C.N. Catherine Lam, Edouard Asselin
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-pxgxl
 
Subject: Chemistry
,
Working Paper
, Title:

Parameterization of general organic polymers within the Open Force Field framework

, Authors: Connor M. Davel, Timotej Bernat, Jeffrey R. Wagner, Michael R. Shirts
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-f2zxd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Uniform and local degradation of epoxy-based pipeline coatings under service conditions: salt transport and accelerated exposure analysis

, Authors: Hossein Zargarnezhad, Dennis Wong, CN. Catherine Lam, Edouard Asselin
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-r2t1r
 
Subject: Chemistry
,
Working Paper
, Title:

Facile access to cationic methylstannylenes and silylenes stabilized by E‒Pt bonding and their methyl group transfer reactivity

, Authors: Ramadoss Govindarajan, Robert R. Fayzullin, Shubham Deolka, Eugene Khaskin, Serhii Vasylevskyi, Pavan K. Vardhanapu, Shrinwantu Pal, Julia Khusnutdinova
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-6x7f4
 
Subject: Chemistry
,
Working Paper
, Title:

Ring-Opening of Glycerol Cyclic Phosphates Leads to a Diverse Array of Potentially Prebiotic Phospholipids

, Authors: Maaia Aleksandrova, Fidan Rahmatova, David A. Russell, Claudia Bonfio
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-2n1kh
 
Subject: Chemistry
,
Working Paper
, Title:

[2.2]Paracyclophane-based coumarins: effective organophotocatalysts for light-induced desulfonylation processes

, Authors: Jules Brom, Antoine Maruani, Serge Turcaud, Sonia Lajnef, Fabienne Peyrot, Laurent Micouin, Erica Benedetti
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-n4ds3
 
Subject: Chemistry
,
Working Paper
, Title:

Design of organic cathode material based on quinone and pyrazine motifs for rechargeable lithium and zinc batteries

, Authors: Svit Menart, Olivera Lužanin, Klemen Pirnat, David Pahovnik, Jože Moškon, Robert Dominko
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-xbhbf
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Decorating Cells Via Surface-Initiated Enzymatic Controlled Radical Polymerizations

, Authors: Andrea Belluati, Dominic Happel, Malte Erbe, Nicole Kirchner, Anna Szwelwicka, Adrian Bloch, Valeria Berner, Andreas Christmann, Brigitte Hertel, Raheleh Pardehkhorram, Amin Reyhani, Harald Kolmar, Nico Bruns
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-2wl84
 
Subject: Chemistry
,
Working Paper
, Title:

Quantifying and modulating protein encapsulation in guanosine-based supramolecular particles

, Authors: Luis A. Prieto-Costas, Génesis R. Rivera-Cordero, Jose M. Rivera
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-t58lb-v3
 
Subject: Law
,
Working Paper
, Title:

Cultural Property in Scotland: Exploring Cultural Nationalism and Beyond

, Authors: Yudi Zhang
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.33774/coe-2023-4f2lv
 
Subject: History
,
Working Paper
, Title:

Cholera comes to Portugal: Myth and science during the 1833-1834 epidemic and beyond

, Authors: Ian Davis
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.33774/coe-2023-nlfvx
 
Subject: Chemistry
,
Working Paper
, Title:

Nanopatterned Monolayers of Bioinspired, Sequence-Defined Polypeptoid Brushes for Semiconductor/Bio Interfaces

, Authors: Beihang Yu, Boyce Chang, Whitney Loo, Scott Dhuey, Padraic O'Reilly, Paul Ashby, Michael Connolly, Grigory Tikhomirov, Ronald Zuckermann, Ricardo Ruiz
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-z6frj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Deciphering Trends in Structural Parameters of RE-UiO-66 Metal–Organic Frameworks through Single Crystal Analysis

, Authors: P. Rafael Donnarumma, Christopher Copeman, Micaela Richezzi, Justin Sardilli, Hatem M. Titi, Ashlee J. Howarth
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-l5nth-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Geometry and local environment of surface sites in Vanadium-based Ziegler-Natta catalysts from 51V solid-state NMR Spectroscopy

, Authors: Sebastian Sabisch, Yuya Kakiuchi, Scott R. Docherty, Alexander V. Yakimov, Christophe Copéret
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-f59zx-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of Increasing Ligand Conjugation in Cu(I) Photosensitizers on NiO Semiconductor Surfaces

, Authors: Zujhar Singh, Joseph Chiong, Saeid Kamal, Marek Majewski
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-pwt6p
 
Subject: Chemistry
,
Working Paper
, Title:

Organocatalytic synthesis of δ-sultone-fused benzofurans by the tandem reaction of β-arylethenesulfonyl fluorides

, Authors: Qichao Zhang, Fang Zhang, Zhihang Wei, Jichang Liu, Lin He, Guangfen Du
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-tklk0
 
Subject: Chemistry
,
Working Paper
, Title:

A Site-Specific Synthetic Route to Substituted Inda(box) Ligands

, Authors: Kimberly Alley, Aidan Clarkson, Ayaka Uehara, Jeffrey Johnson
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-9lrzv
 
Subject: Chemistry
,
Working Paper
, Title:

Cobalt Catalyzed Enantioselective Reductive Coupling of Imines and Internal Alkynes

, Authors: Kakoli Maji, Angshuman Palai, Biplab Maji
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-rknf4
 
Subject: Chemistry
,
Working Paper
, Title:

Citric acid as electrolyte additive in aqueous Magnesium-Air battery used in Antarctic climate

, Authors: Iliyan Popov, Boris Shirov, Temenuzhka Spasova, Yovka Milusheva, Adlin Dancheva, Reneta Boukoureshtlieva
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-x9vb8
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling Autophagy and Aging Through Time-Resolved Imaging of Lysosomal Polarity with a Delayed Fluorescent Emitter

, Authors: Subhadeep Das, Abhilasha Batra, Subhankar Kundu, Rati Sharma, Abhijit Patra
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-648gg
 
Subject: Chemistry
,
Working Paper
, Title:

Electrothermal mineralization of per- and polyfluoroalkyl substances (PFAS) for soil remediation

, Authors: Yi Cheng, Bing Deng, Phelecia Scotland, Lucas Eddy, Arman Hassan, Bo Wang, Bowen Li, Kevin Wyss, Mine Ucak-Astarlioglu, Jinhang Chen, Tengda Si, Shichen Xu, Xiaodong Gao, Khalil JeBailey, Debadrita Jana, Mark Torres, Michael Wong, Boris Yakobson, Christopher Griggs, Matthew McCary, Yufeng Zhao, James Tour
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-79t7l
 
Subject: Chemistry
,
Working Paper
, Title:

Adjusting the Operational Potential Window as a Tool for Prolonging the Durability of Carbon-supported Pt-alloy Nanoparticles as Oxygen Reduction Reaction Electrocatalysts

, Authors: Tina Đukić, Léonard Jean Moriau, Iva Klofutar, Martin Šala, Luka Pavko, Francisco Javier González López, Francisco Ruiz-Zepeda, Andraž Pavlišič, Miha Hotko, Matija Gatalo, Nejc Hodnik
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-t0x61
 
Subject: Chemistry
,
Working Paper
, Title:

A Sensitive Temperature Sensor with a Large Dynamic Spectral Range Based on a Dual-emissive Thermally Activated Delayed Fluorescence Dendrimer System

, Authors: Changfeng Si, Dianming Sun, Eli Zysman-Colman
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-lxlmf
 
Subject: Chemistry
,
Working Paper
, Title:

Electrocatalytic Urea Synthesis via N2 Dimerization and Universal Descriptor

, Authors: Junxian Liu, Xingshuai Lv, Yandong Ma, Sean Smith, Yuantong Gu, Liangzhi Kou
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-r73tm
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Stereocontrolled Polyurethanes with Defined Monomer Order by Step-economy Approach

, Authors: Anuj Sharma, Pawel Cwynar, Vijaj Gupta, Róża Szweda
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-xxcfb
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluating the Economic and Environmental Benefits of Deploying a National-Scale, Thermo-Chemical Plastic Waste Upcycling Infrastructure in the United States

, Authors: Evan Erickson, Jiaze Ma, Philip Tominac, Horacio Aguirre-Villegas, Victor Zavala
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.26434/chemrxiv-2023-96xng
 
Subject: Engineering
,
Working Paper
, Title:

Proof of Concept for increasing the rolling stock velocity at curvatures by shifting the body frame toward the center of curvature.

, Authors: Aakaash Singh Chauhan
Version undefined posted 19 October 2023
Posted
Oct 19, 2023
10.33774/coe-2023-dm3hg
 
Subject: Chemistry
,
Review
, Title:

Conformational Source of Comonomer Sequence-Dependent Copolymer Glass-Transition Temperatures

, Authors: Alan Tonelli, Jialong Shen
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-8m6b9
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular-Architectonics of Gold Nanoclusters for enhanced fluorescence and photosensitizing property for Image Guided Photodynamic Therapy of Hypoxic Tumor

, Authors: Resmi A.N, Rekha C.R, Papasouli Emilia, Jibin Kunnumpurathu, sivaselvam S, Praveen C.S, Koukaras Emmanuel N, Michel Rerat, Jayasree Ramapurath.S, Karamanis Panaghiotis
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-9nzfc
 
Subject: Chemistry
,
Working Paper
, Title:

Phase-selective recovery and regeneration of end-of-life electric vehicle blended cathodes via selective leaching and direct recycling

, Authors: Laura L Driscoll, Abbey Jarvis, Rosie Madge, Jamie-Marie Price, Rob Sommerville, Felipe Schnaider Tontini, Mounib Bahri, B. Layla Mehdi, Emma Kendrick, Nigel D Browning, Phoebe K Allan, Paul A Anderson, Peter R Slater
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-56rkk
 
Subject: Chemistry
,
Working Paper
, Title:

Post-synthetic Covalent Grafting of Amines to NH2-MOF for Post-Combustion Carbon Capture

, Authors: ANITA JUSTIN, Jordi Espín, Miriam Pougin, Dragos Stoian, Till Schertenleib, Mounir Mensi, Ilia Kochetygov, Andres Ortega-Guerrero, Wendy L. Queen
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-rb7x0
 
Subject: Chemistry
,
Working Paper
, Title:

The sensitive aspects of modelling polymer-ceramic composite solid-state electrolytes by molecular dynamics simulations

, Authors: Melania Kozdra, Daniel Brandell, C. Moyses Araujo, Amber Mace
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-2zrw8
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerated Electrophotocatalytic C(sp3)‒H Heteroarylation Enabled by an Efficient Continuous-Flow Reactor

, Authors: Dimitrios Ioannou, Luca Capaldo, Jiri Sanramat, Joost Reek, Timothy Noel
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-1xbvv
 
Subject: Chemistry
,
Review
, Title:

Advancements in Cathode Materials for Potassium-Ion Batteries: Current Landscape, Obstacles, and Prospects

, Authors: Titus Masese, Godwill Kanyolo
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-z04tm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Soft drug-inhibitors for the epigenetic targets Lysine-Specific Demethylase 1 (LSD1) and Histone Deacetylases (HDACs)

, Authors: Johannes Seitz, Marina Auth, Tony Prinz, Mirjam Hau, Pavlos Tzortzoglou, Johannes Schulz-Fincke, Karin Schmidtkunz, Dominica Willmann, Eric Metzger, Lutz Hein, Sebastian Preissl, Roland Schüle, Manfred Jung
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2022-n11dq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Redox-Modulated Fluorescent Halogen Bonding and Hydrogen Bonding Anion Sensing

, Authors: Andrew J. Taylor, Robert Hein, Sophie C. Patrick, Jason J. Davis, Paul D. Beer
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-4nlzd
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of Acidic and Basic Dyes in Different Candies

, Authors: Nosheen Khalid, Nosheen Khalid, Muhammad Jahangir, Saira Imdad, Khurshid Anwar, Nida Arif, Adnan Khan, Naqqash Aslam
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-5x59s
 
Subject: Chemistry
,
Working Paper
, Title:

Main Proteases of Key RNA Viruses, Including Coronavirus, Recognize P2 Residues in the Polyproline Type II Conformation: Harnessing Proline's Unique Conformation for Protease Inhibitors

, Authors: Pathum Weerawarna
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-lfxqv-v2
 
Subject: Film, Media, Mass Communication
,
Working Paper
, Title:

Status of Television Journalists on Covid-19 in Nepal

, Authors: Madhusudan Neupane, Neeta Shapkota
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.33774/coe-2023-fbcdt
 
Subject: Chemistry
,
Working Paper
, Title:

Asymmetric stereodivergent catalysis achieved by means of a switchable asymmetric catalyst built on supramolecular helices

, Authors: Ran Chen, Ahmad Hammoud, Paméla Aoun, Mayte Martínez-Aguirre, Nicolas Vanthuyne, Régina Maruchenko, Patrick Brocorens, Laurent Bouteiller, Matthieu Raynal
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-7kg6b
 
Subject: Chemistry
,
Working Paper
, Title:

Assembly and Disassembly of Supramolecular Hypervalent Iodine Macrocycles via Anion Coordination

, Authors: Krishna Pandey, Samsul Arafin, Eli Jones, Yachu Du, Gajanan Kulkarni, Ain Uddin, Kyle Plunkett
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-s7386
 
Subject: Chemistry
,
Working Paper
, Title:

Borylated Cyclopentanes via Atom Transfer Radical [3+2] Annulation

, Authors: Dace Cirule, Fabrice Dénès, Manuel Gnägi-Lux, Simon Rohrbach, Philippe Renaud
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-pf79w
 
Subject: Chemistry
,
Working Paper
, Title:

Deconstructable and Chemically Recyclable High-Density Polyethylene (HDPE)-Like Materials Based on Si–O Bonds

, Authors: Alayna Johnson, Jeremiah Johnson
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-tpdlg
 
Subject: Chemistry
,
Working Paper
, Title:

Access to multifunctionalized tetrasubstituted carbon centers bearing up to three different heteroatoms via tandem geminal chlorofluorination of 1,2-dicarbonyl compounds

, Authors: Ha Eun Kim, Mugeon Song, Sunjoo Hwang, Won-jin Chung
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-csptk
 
Subject: Chemistry
,
Working Paper
, Title:

Informatics and Computationally Assisted Discovery of Anti-Inflammatory Diterpenoids from Isodon rubescens

, Authors: Xiaoying Liu, Zhiwei Bian, Hongyi Li, Shian Hu, Daneel Ferreira, Mark Hamann, Shengpeng Wang, Xiaojuan Wang
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-580zn
 
Subject: Chemistry
,
Working Paper
, Title:

Strongly inhibited spontaneous emission of PbS quantum dots covalently bound to 3D silicon photonic band gap crystals

, Authors: Andreas S. Schulz, Marek Kozoň, G. Julius Vancso, Jurriaan Huskens, Willem L. Vos
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-hnh2d
 
Subject: Chemistry
,
Working Paper
, Title:

New insights from old data - Hunting for compounds with novel mechanisms using cellular high-throughput screening profiles with Grey Chemical Matter

, Authors: Jason R Thomas, Claude Shelton IV, Jason Murphy, Scott Brittain, Mark-Anthony Bray, Peter Aspesi, John Concannon, Frederick J King, Robert J Ihry, Daniel J Ho, Martin Henault, Andrea Hadjikyriacou, Marilisa Neri, Frederic D Sigoillot, Helen T Pham, Matthew Shum, Louise Barys, Michael D Jones, Eric J Martin, Anke Blechschmidt, Sébastien Rieffel, Thomas J Troxler, Felipa A Mapa, Jeremy L Jenkins, Rishi K Jain, Peter S Kutchukian, Markus Schirle, Steffen Renner
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-tlj9z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate prediction of ligand binding for a flexible protein using P-score ranking.

, Authors: Peter E. G. F. Ibrahim, Fabio Zuccotto, Ulrich Zachariae, Ian Gilbert, Mike Bodkin
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-dh114
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling Transport Mechanisms of Cesium and Water in Operando Zero-Gap CO2 Electrolyzers

, Authors: Bjørt Óladóttir Joensen, José A. Zamora Zeledón, Lena Trotochaud, Andrea Sartori, Marta Mirolo, Asger Barkholt Moss, Sahil Garg, Ib Chorkendorff, Jakub Drnec, Brian Seger, Qiucheng Xu
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-g39tj
 
Subject: Chemistry
,
Working Paper
, Title:

A Combined Experimental and Computational Investigation of Hydrogen-Bonded 2,7-Diazaindole-(Water)1,2 Complexes Isolated in the Gas Phase

, Authors: Simran Baweja, Bhavika Kalal, surajit Maity
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-09rcb
 
Subject: Chemistry
,
Working Paper
, Title:

Chemometric guided isolation of new triterpenoid saponins as acetylcholinesterase inhibitors from Achyranthes bidentata Blume

, Authors: Shivani Puri, Prithvi Pal Singh, Prateek Singh Bora, Upendra Sharma
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-qg51b
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Axially Chiral Biaryls via Pd(II)-Catalysed Direct C(sp2)-H Olefination and Arylation

, Authors: Rohit Kumar, Diksha Parmar, Sarthi -, Devesh Chandra, Sumit -, Akhilesh K. Sharma, Upendra Sharma
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-5mccg
 
Subject: Chemistry
,
Working Paper
, Title:

Computationally-Assisted Discovery and computational NMR Assignment of a Highly-binding PXR Natural Diterpenoids

, Authors: Zhiwei Bian, Hongyi Li, Jiabao Liu, Xiaoying Liu, Shian Hu, Daneel Ferreira, Mark T. Hamann, Shengpeng Wang, Yeun-Mun Choo, Xiaojuan Wang
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-nzcw8
 
Subject: Chemistry
,
Review
, Title:

Metabolic pathways of acylcarnitine synthesis

, Authors: Jana Brejchova, Kristyna Brejchova, Ondrej Kuda
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-h7b6m
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing N-arylation Productivity: The Amplified Potential of Electrophotocatalysis in Flow

, Authors: Thomas Heugebaert, Jolien De Ketelaere
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-13w9r
 
Subject: Chemistry
,
Working Paper
, Title:

Charge transfer in superbase n-type doping of PCBM induced by deprotonation

, Authors: Chuanding Dong, Fabian Bauch, Yuanyuan Hu, Stefan Schumacher
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-79hb8
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical – chemical cycle for high-efficiency decoupled water splitting in a near-neutral electrolyte

, Authors: Ilya Slobodkin, Elena Davydova, Matan Sananis, Anna Breytus, Avner Rothschild
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-9b0hr
 
Subject: Chemistry
,
Working Paper
, Title:

PET Functional Upcycling through Surface-Assisted Growth of Ni-BDC MOFs and Laser-Induced Carbonization towards Bend Resistive Sensor

, Authors: Dmitry Kogolev, Ekaterina Kurtsevich, Maxim Fatkullin, Alexey Zinovyev, Alina Gorbunova, Raul Rodriguez, Olga Guselnikova, Rabah Boukherroub, Pavel Postnikov
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2023-94j3x
 
Subject: Chemistry
,
Review
, Title:

High Pressure Homogenization – An Update on its Usage and Understanding

, Authors: Pavan Inguva, Silvia Grasselli, Paul W.S. Heng
Version undefined posted 20 October 2023
Posted
Oct 20, 2023
10.26434/chemrxiv-2022-x2cml-v2
 
Subject: Medicine (excluding clinical)
,
Working Paper
, Title:

Expression of growth factors and their receptors in neuropathic ulcerative defects of patients diagnosed with diabetes in a South American cohort.

, Authors: Lizeth Bacca, Maria Estevez, Diego Acevedo, Silvia Castillo, Anderson Arias, Luis Dulcey, Jaime Gomez, Carlos Hernandez, Juan Theran, Raimondo Caltagirone, Edgar Blanco, Maria Ciliberti, Silvia Calderon, Emily Gutierrez, Angie Lizcano, Maria Amaya, Diego Lobo, Santiago Bermudez
Version undefined posted 21 October 2023
Posted
Oct 21, 2023
10.33774/coe-2023-5rfb9
 
Subject: Medicine (excluding clinical)
,
Working Paper
, Title:

Long-term persistence of markers of autoimmune β-cell destruction and residual C-peptide secretion in patients from a South American cohort with type 1 diabetes mellitus

, Authors: juan sebastian theran leon, luis andres dulcey sarmiento, jaime gomez ayala, carlos hernandez, Wiston Rodriguez, Maria Amaya, Maria Estevez, Maria Ciliberti, Edgar Blanco, diego Acevedo, angie lizcano, Emily Gutierrez, andres felipe Nuñez, Laura Yibeth Esteban Badillo
Version undefined posted 22 October 2023
Posted
Oct 22, 2023
10.33774/coe-2023-lxq42
 
Subject: Education
,
Working Paper
, Title:

Learn.Design.Bio.K12: A workshop report on connecting computing and biodesign in K-12 education.

, Authors: Yasmin Kafai, Karen Hogan, Orkan Telhan, Justice Walker
Version undefined posted 24 October 2023
Posted
Oct 24, 2023
10.33774/coe-2023-xztxw
 
Subject: Chemistry
,
Working Paper
, Title:

Processable crosslinked terpolymers made from elemental sulfur with wide range of thermal and mechanical properties

, Authors: Peiyao Yan, Haoran Wang, Liam James Dodd, Tom Hasell
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-08wcb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Metal-Peptidic Cages – Helical Oligoprolines Generate Highly Anisotropic Nanospaces with Emergent Isomer Control

, Authors: Ben Barber, Ellen Jamieson, Leah White, Charlie McTernan
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-89mz0
 
Subject: Chemistry
,
Working Paper
, Title:

A Scalable Solution to Constant Potential Flow Electrochemistry

, Authors: Jeremy Griffin, Kaid Harper, Simon Velasquez, Westin Morrill, William Thornton, David Sutherland, Bradley Greiner
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-mqzn0
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible C=N Bond Formation Controls Charge-Separation in an Aza-Diarylethene Photoswitch

, Authors: Maximilian Sacherer, Sofia Gracheva, Harald Maid, Christian Placht, Frank Hampel, Henry Dube
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-vr52l
 
Subject: Chemistry
,
Working Paper
, Title:

Elion: A Deep Learning Based Platform for Multi-Objective Drug Hit Optimization

, Authors: Gustavo Seabra, Chenglong Li
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-n526m
 
Subject: Chemistry
,
Working Paper
, Title:

Elucidating Ultranarrow 2F7/2 to 2F5/2 Absorption in Ytterbium(III) Complexes

, Authors: Barry Y. Li, Claire E. Dickerson, Ashley J. Shin, Changling Zhao, Yi Shen, Yongjia He, Paula L. Diaconescu, Anastassia N. Alexandrova, Justin R. Caram
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-v1nqv
 
Subject: Chemistry
,
Working Paper
, Title:

77PD-Quinone: Synthesis, Coho Salmon Toxicity Assessment, and Comparison with the Commercial Antidegradant 77PD

, Authors: Judicaël Chapelet, Malik Al-Afyouni, Joshua Tyhurst, Jonathan Penney, Christina Roselli, Senthilkumar Kuppusamy, Timothy Ross, Ling Zhang, Sean Gallagher, John Aufderheide, Daniel Brougher
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-g7n49
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation of Dynamical flexibility of D5SIC-DNAM inside DNA duplex in Aqueous Solution: A Systematic Classical MD Approach

, Authors: Tanay Debnath, G. Andres Cisneros
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-685z7
 
Subject: Chemistry
,
Working Paper
, Title:

Photoredox-Driven Three-Component Coupling of Aryl Halides, Olefins, and O2

, Authors: Mark Maust, Simon Blakey
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-tsl77
 
Subject: Chemistry
,
Working Paper
, Title:

Detection, quantification, and isomer differentiation of per- and polyfluoroalkyl substances (PFAS) using MALDI-TOF with trapped ion mobility

, Authors: Aidan Reynolds, Abby Smith, Tian (Autumn) Qiu
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-hqbz5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Role of cationic organisation on water dynamics in saponite clays

, Authors: Virginie Marry, Sébastien Le Crom, Eric Ferrage, Laurent Michot, Bela Farago, Alfred Delville, Emmanuelle DUBOIS
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-ssnjl-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling nanoscale heterogeneities at the bias-dependent Gold-Electrolyte Interface

, Authors: Leo Sahaya Daphne Antony, Loriane Monin, Mark Aarts, Esther Alarcon Llado
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-7fcl8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Counting electrons in electrides

, Authors: Samuel Weaver, Jack Sundberg, Connor Slamowitz, Rebecca Radomsky, Matthew Lanetti, Lauren McRae, Scott Warren
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-b71mn-v2
 
Subject: Chemistry
,
Review
, Title:

Strategies to Prevent Bacterial Infections on Titanium-Based Orthopedic and Dental Implants

, Authors: Martin Villegas, Fereshteh Bayat, Taylor Kramer, Elise Schwarz, David Wilson, Zeinab Hosseinidoust, Tohid Didar
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-zjb5t
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting Success in Cu-Catalyzed C–N Coupling Reactions using Data Science

, Authors: Mohammad Samha, Lucas Karas, David Vogt, Emmanuel Odogwu, Jennifer Elward, Jennifer Crawford, Janelle Steves, Matthew Sigman
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-f50w6
 
Subject: Chemistry
,
Working Paper
, Title:

Selective C(sp3)–H Arylation/Alkylation of Alkanes Enabled by Paired Electrocatalysis

, Authors: Long Zou, Siqi Xiang, Rui Sun, qingquan lu
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-ltkj1
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamics of Methyl Radical Formation Following 266 nm Dissociative Photoionization of Dimethyl- and Trimethyl- Pyridines

, Authors: Sumitra Singh, Monali Kawade, G Naresh Patwari
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-m0mqh
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Characterization of a Series of U(IV) trans-bis(Wittig) Adducts Across the UX4 Halide Series

, Authors: Frank MacGregor, Alejandro Metta, Skye Fortier
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-gnxgj
 
Subject: Chemistry
,
Working Paper
, Title:

A Density Functional Theory Investigation of Ammonia Oxidation on the M-doped β-Ni(OH)2 (M = Cr, Co, Cu, Fe) Surfaces

, Authors: Shayne Johnston, Rachelle Choueiri, Xinrun Liu, Brendan Laframboise, Stephen Tatarchuk, Leanne Chen
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-5h5l5
 
Subject: Chemistry
,
Working Paper
, Title:

A multiple-fidelity Method for Accurate Simulation of MoS 2 Properties Using JAX-ReaxFF and Neural Network Potentials

, Authors: Kehan Wang, Longkun Xu, Wei Shao, Haishun Jin, Qiang Wang, Ming Ma
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-949dk
 
Subject: Chemistry
,
Working Paper
, Title:

Atomistic Insights into Hydrogen-Bonded Supramolecular Capsule Self-Assembly Dynamics

, Authors: Riccardo Capelli, GiovanniMaria Piccini
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-tlwq1
 
Subject: Chemistry
,
Working Paper
, Title:

A Ruthenium Arene Complex with Central, Planar and Axial Chirality

, Authors: Xuegang Fu, Yuting Yan, Siyu E, Jianhui Huang
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2022-j4lg4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Simultaneous Extraction of Intra- and Inter-Cycle Features for Predicting Lithium-Ion Battery's Knees Using Convolutional and Recurrent Neural Networks

, Authors: Jaewook Lee, Jay H. Lee
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-33vmf
 
Subject: Chemistry
,
Review
, Title:

Modulating Molecular Aggregation of Luminogens: Bridging the Gap Between Solutions and Solids

, Authors: Peng Meng, Andreis Lau, Daigo Miyajima, Parvej Alam, Zijie Qiu, Benzhong Tang
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-h49zx
 
Subject: Chemistry
,
Working Paper
, Title:

Controlled and Regioselective Ring-Opening Polymerization for Poly(disulfide)s by Anion-Binding Catalysis

, Authors: Tianyi Du, Boming Shen, Jieyu Dai, Miaomiao Zhang, Xingjian Chen, Peiyuan Yu, Yun Liu
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-cjp57
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetics of Hydrogen-to-Deuterium Exchange Compared to Deuterium-to-Hydrogen Exchange in Hydrogen Bonds within a Model Peroxo Complex

, Authors: Srimanta Pal, Arun Chattopadhyay
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-lqtwr
 
Subject: Chemistry
,
Working Paper
, Title:

Nucleoside Phosphorylases Make N7-Xanthosine, the “Non-native” Regioisomer of Xanthosine

, Authors: Sarah Westarp, Felix Brandt, Lena Neumair, Christina Betz, Amin Dagane, Sebastian Kemper, Christoph R. Jacob, Peter Neubauer, Anke Kurreck, Felix Kaspar
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-0fp1b
 
Subject: Chemistry
,
Working Paper
, Title:

The development of near-infrared II fluorophore for tumor drug resistance reversal based on photothermal therapy

, Authors: Kaihong Du, Guiquan Zhang, Dong He, Rong Hu, Anjun Qin, Ben Zhong Tang
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-ljvrl
 
Subject: Chemistry
,
Working Paper
, Title:

A Sequential Transition Metal and Organocatalytic Approach to the Enantioselective Synthesis of C2-spiroindoline Systems

, Authors: Pooja Sah, Aakash Kumar Gond, Gaurav Saini, Manmohan Kapur
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-3sldd
 
Subject: Chemistry
,
Working Paper
, Title:

Crystal Structure Reveals the Binding Mode and Selectivity of a Photoswitchable Ligand for the Adenosine A2A Receptor

, Authors: Tsuyoshi Araya, Yuya Matsuba, Harufumi Suzuki, Tomohiro Doura, Nipawan Nuemket, Eriko Nango, Masaki Yamamoto, Dohyun Im, Hidetsugu Asada, Shigeki Kiyonaka, So Iwata
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-7q2ht
 
Subject: Chemistry
,
Working Paper
, Title:

High molecular weight crystalline PEO6 based polymer electrolytes for lithium-ion conduction– Effect of cellulose nano whiskers

, Authors: Shankar C.V. Ram, Shyam Deo, Pengfei Zhan, Michael Janik, Janna K. Maranas
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-9z796
 
Subject: Chemistry
,
Working Paper
, Title:

Photoresponsive adenosine derivatives for optical control of adenosine A2A receptor in living cells

, Authors: Harufumi Suzuki, Tomohiro Doura, Yuya Matsuba, Yuma Matsuoka, Tsuyoshi Araya, Hidetsugu Asada, So Iwata, Shigeki Kiyonaka
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-z5pnd
 
Subject: Chemistry
,
Working Paper
, Title:

Aryl Sulfonium Salt Electron Donor-Acceptor Complexes for Halogen Atom Transfer: Isocyanides as tuneable coupling partners

, Authors: Huaibo Zhao, Valentina Dafnae Cuomo, James Rossi Ashton, David Procter
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-k9mf6
 
Subject: Chemistry
,
Working Paper
, Title:

High Aspect Ratio Silver Nanogrids by Bottom-Up Electrochemical Growth as Transparent Electrode

, Authors: Yorick Bleiji, Andrea Cordaro, Stefan Tabernig, Esther Alarcón-Lladó
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-v4k7d
 
Subject: Chemistry
,
Working Paper
, Title:

Photocatalytic Generation of Alkyl Carbanions from Alkenes

, Authors: Milena Czyz, Tyra Horngren, Andrew Kondopoulos, Liam Franov, José Forni, Le Nhan Pham, Michelle Coote, Anastasios Polyzos
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-qrkjs
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the Role of Electrode Thickness on Redox Flow Cell Performance

, Authors: Vanesa Muñoz-Perales, Maxime van der Heijden, Victor de Haas, Jacky Olinga, Marcos Vera, Antoni Forner-Cuenca
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-n2mmd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Microfluidic Enrichment of Intact Viral Particles by Stoichiometric Balanced DNA Computation

, Authors: Yihao Huang, Qiuyue Wu, Jialu Zhang, Yuqian Zhang, Shiyun Cen, Chaoyong Yang, Yanling Song
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-vd0b0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Electronic Structure of Metalloporphenes, Antiaromatic Analogs of Graphene

, Authors: Ivan Pavlak, Lujo Matasović, Eric Buchanan, Josef Michl, Igor Rončević
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-j0bv8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemically driven peptide formation in supersaturated aerosol droplets

, Authors: Alexander Logozzo, Benjamin Vennes, Ravleen Kaur Kohli, James Davies, Durbis Castillo-Pazos, Chao-Jun Li, Catherine Neish, Thomas Preston
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-80vjz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Ultrastable halide perovskite CsPbBr3 photoanodes achieved with electrocatalytic glassy-carbon and boron-doped diamond sheets

, Authors: Zhonghui Zhu, Matyas Daboczi, Yimin Xuan, Xianglei Liu, Salvador Eslava
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-bg5wf
 
Subject: Chemistry
,
Working Paper
, Title:

The Dianion and Tetraanion of [18]Annulene

, Authors: Wojciech Stawski, Yikun Zhu, Igor Rončević, Zheng Wei, Marina Petrukhina, Harry Anderson
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-ql8pk
 
Subject: Chemistry
,
Working Paper
, Title:

Ni-Catalyzed Electrochemical Cross-Electrophile C(sp2)-C(sp3) Coupling via a NiII Aryl Amido Intermediate

, Authors: Jian Luo, Michael Davenport, Daniel Ess, Tianbiao Liu
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-pdw1d
 
Subject: Chemistry
,
Working Paper
, Title:

Visible light photocatalytic water remediation strategies using a novel black TiO2 based material optimized for in-flow applications

, Authors: Juan Scaiano, Mahzad Yaghmaei, Daliane R.C. da Silva, Nelson Rutajoga, Sara Currie, Yiran Li, Morgan Vallieres, Neeraj Joshi, Bowen Wang
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-wwd09
 
Subject: Chemistry
,
Working Paper
, Title:

Novel 5-Substituted Oxindoles Derivatives as Bruton's Tyrosine Kinase Inhibitors: Design, Synthesis, Docking, Molecular Dynamic Simulation, and Biological Evaluation

, Authors: Vani Madhuri Velavalapalli, Venkatanarayana Chowdary Maddipati, Soňa , Gurská, Narendran Annadurai, Barbora Lišková, Naresh Kumar Katari, Petr Džubák, Marián Hajdúch, Viswanath Das, Rambabu Gundla
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-jhbh4
 
Subject: Chemistry
,
Working Paper
, Title:

A Platform for Multiple Isotope Labeling via Carbon-Sulfur Bond Exchange

, Authors: Bouchaib Mouhsine, Maylis Norlöff, Juba Ghouilem, Antoine Sallustrau, Frédéric Taran, Davide Audisio
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-nwxjq
 
Subject: Chemistry
,
Working Paper
, Title:

Size Matters: Computational Insights into the Crowning of Noble Gas Trioxides

, Authors: Soumya Ranjan Dash, Himanshu Sharma, Mrityunjay K Tiwari, Lutz Greb, Kumar Vanka
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-qb4cx
 
Subject: Chemistry
,
Working Paper
, Title:

Generalizing asymmetric and pseudo-Voigt functions by means of q-Gaussian Tsallis functions to analyze the wings of Raman spectral bands

, Authors: Amelia Carolina Sparavigna
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-pk99f
 
Subject: Chemistry
,
Working Paper
, Title:

Development of Gluten Free Cookie Using Chestnut and Foxnut Flour Blend: Composition Optimization through Response Surface Methodology

, Authors: Divya Singh Chauhan, Apoorva Behari Lal, Anto Pradeep Raja Charles, Amit Pratap Singh, Ashish Khare, Pranav Vashisht
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-zzprm
 
Subject: Chemistry
,
Working Paper
, Title:

Exploration of elastic moduli of molecular crystals via database screening by pretrained neural network potential

, Authors: Takuya Taniguchi
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-lbdrm
 
Subject: Chemistry
,
Working Paper
, Title:

Pd-Catalyzed Intermolecular Si–O Formation via Si–C Activation

, Authors: Shuang Liu, Yu-Shu Chen, Yichen Wu, Peng Wang
Version undefined posted 25 October 2023
Posted
Oct 25, 2023
10.26434/chemrxiv-2023-z5bsp
 
Subject: Chemistry
,
Working Paper
, Title:

Vitamin B12–Photocatalyzed Cyclopropanation of Electron-Deficient Alkenes using Dichloromethane as the Methylene Source

, Authors: John Hayford Teye-Kau, Mayokun Ayodele, Spencer Pitre
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-m3shw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular insights into the formation of drug-polymer inclusion complex

, Authors: Ming Lu, Binbin Liu, Changrui Li, Ziqiao Chen, Xiao Ou, Shuting Li, Ao Li, Pin Chen
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-pldr0-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-eGO: model improvements towards the study of complex self-assembly processes

, Authors: Fran Bacic Toplek, Emanuele Scalone, Bruno Stegani, Cristina Paissoni, Riccardo Capelli, Carlo Camilloni
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-67255-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Paramagnetic NMR Shifts for Triplet Systems and Beyond with Modern Relativistic Density Functional Methods

, Authors: Yannick J. Franzke, Florian Bruder, Sebastian Gillhuber, Christof Holzer, Florian Weigend
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-w2db0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Vibrational transitions of H2Cl+: potential energy surface and anharmonic computations

, Authors: Kokou M. Robert Afansounoudji, Rabiou Issa, Komi Sodoga, David Lauvergnat
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-b4hhm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Resonance Enhancement of Vibrational Polariton Chemistry Obtained from the Mixed Quantum-Classical Dynamics Simulations

, Authors: Deping Hu, Wenxiang Ying, Pengfei Huo
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-9g3gr
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Exchange in Lipid Nanoparticles via Time-Resolved Small Angle Neutron Scattering

, Authors: Shayna Hilburg, Anna Sokolova, Marina Cagnes, Lilo D. Pozzo
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-v5951-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation of the Stability of D5SIC-DNAM-Incorporated DNA duplex in Taq Polymerase Binary system: A Systematic Classical MD Approach

, Authors: Tanay Debnath, G. Andrés Cisneros
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-nh3jb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Spontaneous Symmetry Breaking of Achiral Molecules Leading to the Formation of Homochiral Superstructures that Exhibit Mechanoluminescence

, Authors: Zheng-Fei Liu, Xin-Yi Ye, Lihua Chen, Li-Ya Niu, Wei Jun Jin, Shaodong Zhang, Qing-Zheng Yang
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-dr67s
 
Subject: Chemistry
,
Working Paper
, Title:

To flame-seal or not to the NMR tubes: The role of liquid-vapor equilibria on the accuracy of variable temperature experiments.

, Authors: Derek Morrelli, santanu Maitra, Krish Krishnan
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-cmws5
 
Subject: Chemistry
,
Working Paper
, Title:

Water DMSO Cosolvent Mixtures Modulate Hydrogen Bonding at a Gold Electrode Interface

, Authors: Ziareena Al-Mualem, Keegan Lorenz-Ochoa, Lei Pan, Hang Ren, Carlos Baiz
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-9x6ht
 
Subject: Chemistry
,
Working Paper
, Title:

Rh(III)-Catalyzed N-Amino-Directed C-H Coupling with 3-Methyleneoxetan-2-Ones for 1,2-Dihydroquinoline-3-Carboxylic Acid Synthesis

, Authors: Renpeng Zhou, Shuaixin Fan, Lili Fang, Benfa Chu, Jin Zhu
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-cllnd
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling the Internal Structure of 3D Printed Stimuli-Responsive Materials Using a Molecular Probe

, Authors: Xiaowo Kang, Weijun Wu, Yu Hu, Xindi Liu, Wenhui Wang, Qiao Song, Yu Xiong, Yinyin Bao, Lu Zhang, Bin Zhao, Hongyan Jiang, Mingxi Yao, Zhi Luo
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-8mdv4
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-Mechanophore Polymers for Mechanically Triggered Small Molecule Release with Ultrahigh Payload Capacity

, Authors: Tian Zeng, Liam Ordner, Peng Liu, Maxwell Robb
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-k0t4s
 
Subject: Chemistry
,
Working Paper
, Title:

ML-aided computational screening of 2D materials for photocatalytic water splitting

, Authors: Yatong Wang, Murat Cihan Sorkun, Geert Brocks, Süleyman Er
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-5pssn
 
Subject: Chemistry
,
Working Paper
, Title:

Utilization of AlphaFold Models for Drug Discovery: Feasibility and Challenges. Histone Deacetylase 11 as a Case Study

, Authors: Fady Baselious, Dina Robaa, Wolfgang Sippl
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-rtjcx
 
Subject: Chemistry
,
Working Paper
, Title:

Divergence between local structure, dynamics and nucleation outcome in heterogeneous nucleation of close-packed crystals

, Authors: Tiago Domingues, Sarwar Hussain, Amir Haji-Akbari
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-cj7l3
 
Subject: Chemistry
,
Working Paper
, Title:

Nuclear quantum effects in hydroxide hydrate along the H-bond bifurcation pathway

, Authors: Mrinal Arandhara, Sai G. Ramesh
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-vt5cw
 
Subject: Chemistry
,
Working Paper
, Title:

NHC-CDI ligands boost multicarbon production on Cu electrocatalysts by increasing the accumulated surface charge and promoting *CO dimerization

, Authors: Kirstine Nygaard Kolding, Matias Bretlau, Siqi Zhao, Kristian Torbensen, Kim Daasbjerg, Alonso Rosas-Hernández
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-bkfhd
 
Subject: Chemistry
,
Working Paper
, Title:

Oligomerization of lithium ions in water-in-salt electrolytes

, Authors: Kateryna Goloviznina, Alessandra Serva, Mathieu Salanne
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-1v49c
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Spin Dynamics in Diatomic Co₂ Catalysts on Graphyne for Enhanced CO Electroreduction

, Authors: Gui-lin Zhuang, Shuang-te Zhao, Wei Zhang, Xue-long Zhang, Cun-biao Lin, Wen-xian Chen
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-x1dtp
 
Subject: Chemistry
,
Working Paper
, Title:

Quantification and visualisation statistics of Pt cathode degradation via correlative electron and X-ray imaging

, Authors: Liqun Kang, Ruoyu Xu, Jay Hon Cheung Yan, Fernando Cacho-Nerin, Juila E. Parker, Christopher S. Allen, Feng Ryan Wang
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-nttjv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Pulsed Laser Activation Method for Hydrogen Storage Alloys

, Authors: Bruno Silva, Juliana Almeida, Antonio Hernandes, Renato Gonçalves, Guilherme Zepon
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-1dlhk
 
Subject: Chemistry
,
Working Paper
, Title:

Transforming CeO2 nanoparticles into ultra small ceria clusters on alumina enhances catalytic activity

, Authors: Konstantin Khivantsev, Hien Pham, Mark Engelhard, Hristiyan Aleksandrov, Libor Kovarik, Xiaohong Li, Jinshu Tian, Iskra Koleva, Inhak Song, Wenda Hu, Xinyi Wei, Yipeng Sun, Pascaline Tran, Trent Graham, Dong Jiang, David P. Dean, Christian J. Breckner, Jeffrey T. Miller, Georgi Vayssilov, Janos Szanyi, Abhaya Datye, Yong Wang
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2021-spcd9-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Green Synthesis of Sulfur-Containing Polymers by Carbon Disulfide-based Spontaneous Multicomponent Polymerization

, Authors: Xu Chen, Anjun Qin, Ben Zhong Tang
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-l4kj7
 
Subject: Chemistry
,
Working Paper
, Title:

Calculating Binding Free Energies in Model Host-Guest Systems with Unrestrained Advanced Sampling

, Authors: Andrew V. Marquardt, Mohsen Farshad, Jonathan K. Whitmer
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-2chhz
 
Subject: Chemistry
,
Working Paper
, Title:

Characterization of binding profiles of heparanase with existing small-molecule inhibitors using computational methods

, Authors: Yuzhao Zhang, Lina Cui
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-s2pjg
 
Subject: Mathematics
,
Working Paper
, Title:

Mask Design for Covid-19

, Authors: Neville Fowkes
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.33774/miir-2023-kmths
 
Subject: Mathematics
,
Working Paper
, Title:

Microwave cooking of thin potato discs

, Authors: Chris J. Budd OBE, Paulo S. Piva, Matthew D. Shirley, Robert J. Whittaker
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.33774/miir-2023-mxttp
 
Subject: Chemistry
,
Working Paper
, Title:

An electrochemical approach to aluminum-based redox switchable ring opening polymerization

, Authors: Zachary Hern, Amy Lai, Ramzi Massad, Paula Diaconescu
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-7trfj
 
Subject: Chemistry
,
Working Paper
, Title:

Tryptophan Molecular Moiré Superlattices with Visible Fluorescence

, Authors: Ujjala Dey, Arun Chattopadhyay
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-3ds8h
 
Subject: Chemistry
,
Working Paper
, Title:

Intersystem Crossing in a Carbazole-Based Room Temperature Phosphorescent Luminophore Investigated by Non-Adiabatic Dynamics.

, Authors: Pelin Ulukan, Elise Lognon, Saron Catak, Antonio Monari
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-wdnnd
 
Subject: Chemistry
,
Working Paper
, Title:

CuOx – enriched Co3O4 surfaces enable selective formaldehyde sensing at low temperature

, Authors: Matteo D'Andria, Frank Krumeich, Ryan Wang, Andreas Güntner
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-h2867
 
Subject: Chemistry
,
Working Paper
, Title:

Supported Erythrocyte Membranes on Piezoelectric Sensors for Studying the Interactions with Nanoparticles

, Authors: Tanaz Islam, Olga N. Chesnokov, Andrew V. Oleinikov, Peng Yi
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-trnqm
 
Subject: Chemistry
,
Working Paper
, Title:

Analytic Gradients for PR-MP2 (Scheme I)

, Authors: Yoshio Nishimoto
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-zfscq
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Factual belief polarization between Democrats and Republicans: Source or epiphenomenon of ideological and affective polarization?

, Authors: Roderik Rekker
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.33774/apsa-2023-gnkx5
 
Subject: Chemistry
,
Working Paper
, Title:

Development of a Biocatalytic Aerobic Oxidation for the Manufacturing Route to Islatravir

, Authors: Megan H. Shaw, Anna Fryszkowska, Oscar Alvizo, Ilana Attadgie, Margie Borra-Garske, Paul N. Devine, Da Duan, Jacob H. Forstater, Shane T. Grosser, Gregory J. Hughes, Kevin M. Maloney, Eric L. Margelefsky, Keith A. Mattern, Margaret T. Miller, Christopher C. Nawrat, Jovana Nazor, Peter Orth, Claire M. Ouimet, Sandra A. Robaire, Serge Ruccolo, Erica L. Schwalm, Deeptak Verma, Li Xiao, Victoria Zhang
Version undefined posted 26 October 2023
Posted
Oct 26, 2023
10.26434/chemrxiv-2023-fg10l
 
Subject: Chemistry
,
Working Paper
, Title:

Flipping the GPCR Switch: Structure–Based Development of Selective Cannabinoid Receptor 2 Inverse Agonists

, Authors: Erick Carreira, Miroslav Kosar, Roman Sarott, David Sykes, Alexander Viray, Rosa Maria Vitale, Natasa Tomasevic, Xiaoting Li, Rudolf Ganzoni, Bilal Kicin, Lisa Reichert, Kacper Patej, Uxia Gomez-Bouzo, Wolfgang Guba, Peter McCormick, Tian Hua, Christian Gruber, Dmitry Veprintsev, James Frank, Uwe Grether
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-w3ggn
 
Subject: Chemistry
,
Working Paper
, Title:

Optically Transparent Lead Halide Perovskite Ceramics

, Authors: Michael C. Brennan, Christopher L. McCleese, Lauren M. Loftus, Jeremiah Lipp, Michael J. Carter, Peter R. Stevenson, Tod A. Grusenmeyer
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-6vk3c
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of C3-Substituted N1-tert-Butyl 1,2,4-Triazinium Salts via the Liebeskind–Srogl Reaction for Fluorogenic Labeling of Live Cells

, Authors: Veronika Šlachtová, Simona Bellová, Milan Vrabel
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-lpf8m
 
Subject: Chemistry
,
Working Paper
, Title:

Electro/Ni Dual-Catalyzed Decarboxylative C(sp3)−C(sp2) Cross-Coupling Reactions of Carboxylates and Aryl Bromide

, Authors: Jian Luo, Michael Davenport, Daniel Ess, Tianbiao Liu
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-8cm07-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Role of electrolyte pH on water oxidation for iridium oxides

, Authors: Caiwu Liang, Yu Katayama, Yemin Tao, Asuka Morinaga, Benjamin Moss, Verónica Celorrio, Mary Ryan, Ifan Stephens, James Durrant, Reshma Rao
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-04prx
 
Subject: Chemistry
,
Working Paper
, Title:

Infrared Free Induction Decay (IR-FID) of Non-Interfacial Origin Observed in the Interfacial Sum-Frequency Generation Vibrational Spectroscopy (SFG-VS)

, Authors: Bojun Zhao, Xingxing Peng, Li Zhang, Jingming Cao, Shuyi Yang, An-An Liu, Hongfei Wang
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-f47tv
 
Subject: Chemistry
,
Working Paper
, Title:

A modular photoredox route towards sulfoximines

, Authors: Mark Glossbrenner, Sergio González-Granda, Onkar Nayal, Efrey Noten, Cole Balintfy, Derek Pratt, Corey Stephenson
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-gw0xb
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrogen-bonded frameworks containing aliphatic 3D linkers show high-capacity water vapour sorption

, Authors: Phonlakrit Muang-Non, Carmen Zhou, Lauren Macreadie, Nicholas White
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-j55nv
 
Subject: Chemistry
,
Working Paper
, Title:

Automated statistical analysis of Raman spectra of nanomaterials

, Authors: Natalia Martín, Matthew Eaton, Sara Moreno-Da Silva, Alicia Naranjo, Emilio Perez
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-5nhdj-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Proposal of a new empirical model with flow velocity to improve time-weighted average concentration estimates from the Polar Organic Chemical Integrative Samplers

, Authors: Nicolas Mazzella, Marion Bernard, Robin Guibal, Sebastien Boutry, Sophie Lissalde, Gilles Guibaud
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-chd0q-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Photophysical Studies of Helicate and Mesocate Double-Stranded Dinuclear Ru(II) Complexes

, Authors: Xinyue Xu, Samuel Marlton, Kate Flint, Rohan Hudson, Richard Keene, Christopher Hall, Trevor Smith
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-1rzqx
 
Subject: Chemistry
,
Working Paper
, Title:

Antifungal and Antiparasitic Activity of Novel Metallocene-containing Fluconazole Derivatives

, Authors: Yan Lin, Gonzalo Scalese, Christina Bulman, Robin Vinck, Olivier Blacque, Margot Paulino, Andres Ballesteros-Casallas, Leticia Pérez Díaz, Gustavo Salinas, Makedonka Mitreva, Tobias Weil, Kevin Cariou, Judy Sakanari, Dinorah Gambino, Gilles Gasser
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-cp31b
 
Subject: Chemistry
,
Working Paper
, Title:

Chiral Carbene Zinc(II) Dithiolates: Efficient TADF Emitters Showing Circularly Polarized Luminescence

, Authors: Mousree Mitra, Ondřej Mrózek, Markus Putscher, Jasper Guhl, Benjamin Hupp, Andrey Belyaev, Christel Marian, Andreas Steffen
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-jt226
 
Subject: Chemistry
,
Working Paper
, Title:

C-4 analogs of podophyllotoxin as tubulin inhibitors: Synthesis, biological evaluation, and structure-activity relationship

, Authors: Breanna Lu, Lexi Xu, Harriet Chen, Grace Yu, Kimberly Khow, Stella Yang, Arushi Dinker, Edward Njoo
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-d5lcg
 
Subject: Chemistry
,
Working Paper
, Title:

Development and analytical validation of a method for the determination of lead, cadmium, mercury and their isotopes in milk, honey, meat, fish and eggs by icp-ms

, Authors: chebli akli islem, mohamed amine reffai, ahmed amziane, Emad Shalabi, Hasseb Khan, djidjiga djerroud, younes zebbiche
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-2ctkf
 
Subject: Chemistry
,
Working Paper
, Title:

Poacic Acid, a Plant-Derived Stilbenoid, Augments Cell-Wall Chitin Production, but Its Antifungal Activity Is Hindered by this Polysaccharide and by Fungal Essential Metals

, Authors: Adi Yona, Micha Fridman
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-zx04p
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes

, Authors: Patrick W. V. Butler, Roohollah Hafizi, Graeme Day
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-97rmb
 
Subject: Chemistry
,
Working Paper
, Title:

A Multi-metal Approach for the Reticulation of Iridium into Metal-Organic Framework Building Units

, Authors: Raluca Loredana Vasile, Mari Carmen Borrallo-Aniceto, Fátima Esteban-Betegón, Enrique Gutiérrez-Puebla, M Angeles Monge, Marta Iglesias, Felipe Gándara
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.26434/chemrxiv-2023-cbm9z
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Gendered Issues or Partisan Priorities? The Policy Priorities of Men and Women at Partisan Think Tanks

, Authors: Andrea Manning, E.J. Fagan
Version undefined posted 27 October 2023
Posted
Oct 27, 2023
10.33774/apsa-2023-36f9c-v2
 
Subject: Medicine (excluding clinical)
,
Working Paper
, Title:

Cardiometabolic profile in women with a history of hypertension during pregnancy: propensity score matching in a South American cohort.

, Authors: Diego Lobo, Santiago Bermudez, Luis Dulcey, Jaime Gomez, Carlos Hernandez, Juan Theran, Raimondo Caltagirone, Maria Amaya, Maria Estévez, Diego Acevedo, Silvia Castillo, Anderson Arias, Edgar Blanco, Maria Ciliberti, Silvia Calderón, Emily Gutierrez, Angie Lizcano, Lizeth Bacca, Juan Martinez
Version undefined posted 29 October 2023
Posted
Oct 29, 2023
10.33774/coe-2023-7hjlv
 
Subject: Chemistry
,
Working Paper
, Title:

Insulin–Dendrimer Nanocomplex for Multi-Day Glucose-Responsive Therapy in Mice and Swine

, Authors: Sijie Xian, Yuanhui Xiang, Dongping Liu, Bowen Fan, Katarína Mitrová, Rachel Ollier, Bo Su, Muhammad Ali Alloosh, Jiří Jiráček, Michael Sturek, Mouhamad Alloosh, Matthew Webber
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-thnkq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A water model with improved thermodynamic properties over a large pressure and temperature range optimized using multistate reweighting and configuration space mapping

, Authors: Himanshu Paliwal, Michael Shirts
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-383m4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the Effect of Temperature on the Concentration of Salicylic Acid in Acetylsalicylic Acid

, Authors: Rojina Karimirad
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-f61jq
 
Subject: Chemistry
,
Working Paper
, Title:

Organic Chemicals from Wood: Selective Depolymerization and Dearomatization of Lignin via Aqueous Electrocatalysis

, Authors: Lucie Lindenbeck, Vanessa Barra, Sira Dahlhaus, Luca Wende, Björn Beele, Nils Schebb, Bruno Rodrigues, Adam Slabon
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-c2kq2
 
Subject: Chemistry
,
Working Paper
, Title:

Demagnetizing Ferromagnetic Catalysts to the Sabatier Op-timal of Haber-Bosch Process

, Authors: Gaomou Xu, Licheng Sun, Tao Wang
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-fwdzw
 
Subject: Chemistry
,
Working Paper
, Title:

Physical Separation of Enantiomeric Products by Compartmentalized Parallel Kinetic Resolution

, Authors: Jingke Hou, Sabine Chevallier-Michaud, Marion Jean, Luc Favre, Damien Hérault, Cyril Bressy
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-x9jtz
 
Subject: Chemistry
,
Working Paper
, Title:

Functional group tolerant hydrogen borrowing C-alkylation

, Authors: Elliot Bailey, Timothy Donohoe, Martin Smith
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-30399
 
Subject: Chemistry
,
Working Paper
, Title:

Demonstrating Scale-Up of a Novel Water Treatment Process using Super-Bridging Agents

, Authors: Florent Blancho, Mathieu Lapointe, Ana C. Quevedo, Krishnaveni Kannan, Nathalie Tufenkji
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-ppv6p
 
Subject: Chemistry
,
Working Paper
, Title:

Determining the Key Vibrations for Spin Relaxation in Ruffled Cu(II) Porphyrins via Resonance Raman Spectroscopy

, Authors: Nathanael Kazmierczak, Nathan Lopez, Kaitlin Luedecke, Ryan Hadt
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-l4fwt
 
Subject: Chemistry
,
Working Paper
, Title:

Facile synthesis of C5-azido derivatives of thiosialosides and 2,3-didehydro-5-N-acetylneuraminic acid (DANA)

, Authors: Mostafa Radwan, Manas Jana, Christopher Cairo
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-p5gzk
 
Subject: Chemistry
,
Working Paper
, Title:

Johnson-Mehl-Avrami-Kolmogorov model applied to describe the site blocking effect in interstitial solid solution

, Authors: Otávio Pedroso, Yannick Champion, Walter Botta, Guilherme Zepon
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-8d22n
 
Subject: Chemistry
,
Working Paper
, Title:

An oxidative photocyclization approach to the synthesis of skeletally-diverse Securiflustra securifrons alkaloids

, Authors: Brandon W. Alexander, Noah M. Bartfield, Vaani Gupta, Brandon Mercado, Mark Del Campo, Seth B. Herzon
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-02bxx
 
Subject: Chemistry
,
Review
, Title:

DFT-based investigation of solvation of Nd(III)/Yb(III) cations in room-temperature ionic-liquid

, Authors: Tamalika Ash, Theresa L. Windus
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-g45lf
 
Subject: Chemistry
,
Working Paper
, Title:

Hydroalkylation of styrenes enabled by boryl radical mediated halogen atom transfer

, Authors: Serena Pillitteri, Rajat Walia, Erik V. Van der Eycken, Upendra K. Sharma
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-37bvm
 
Subject: Chemistry
,
Working Paper
, Title:

Unaddressed Uncertainties When Scaling Regional Aircraft Emissions Surveys to Basin Emission Estimates

, Authors: Daniel Zimmerle, Sonu Dileep, Casey Quinn
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-kmjst
 
Subject: Chemistry
,
Working Paper
, Title:

Deep Neural Network Assisted Quantum Chemistry Calculations on Quantum Computers

, Authors: Kalpak Ghosh, Sumit Kumar, Nirmal M. R., Sharma S. R. K. C. Yamijala
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-54w5m
 
Subject: Chemistry
,
Working Paper
, Title:

Chloromethylation of Lignin as a Route to Functional Material with Catalytic Properties in Cross-Coupling and Click Reactions

, Authors: Mahendra Kothottil Mohan, Oleg Silenko, Illia Krasnou, Olga Volobujeva, Maria Kulp, Maksim Ošeka, Tiit Lukk, Yevgen Karpichev
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-w98xc
 
Subject: Chemistry
,
Working Paper
, Title:

In-situ effects on vinyl ester resin’s flammability and mechanical properties after adding maleated epoxy resin/epoxidized corn oil thermoset blend additive

, Authors: Maurelio Jr Cabo, Manoj Prabhakar, Dong-Woo Lee, Ruiwen Yu, Vinista Chanthavong, Jung-Il Song
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-rmj8t
 
Subject: Chemistry
,
Working Paper
, Title:

Gold-Catalyzed C(sp3)-C(sp2) Suzuki-Miyaura Coupling Reaction

, Authors: Wenqian Du, Fen Zhao, Rongjie Yang, Zhonghua Xia
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-s8ht4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Using BpyAla to generate Copper Artificial Metalloenzymes: a catalytic and structural study

, Authors: Eva Klemencic, Richard Brewster, Hafiz Ali, Julia Richardson, Amanda Jarvis
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.26434/chemrxiv-2023-9f4xc-v2
 
Subject: Mathematics
,
Working Paper
, Title:

A Joint Data- and Model-Driven Approach Simulating the Behaviour of a Walkalong Glider

, Authors: Dieuwertje Alblas, Mark van den Bosch, Zoro Feigl, Lucas Jansen Klomp, Vivi Rottschäfer, Felix Schwenninger, Len Spek, Lotte Weedage, Sjanne Zeijlemaker
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.33774/miir-2023-p957p
 
Subject: English Language Teaching – Resources for Teachers
,
Working Paper
, Title:

Differentiation in Listening Activities: Doing What We Can with What We Have

, Authors: Raúl Rodríguez-Clavero
Version undefined posted 30 October 2023
Posted
Oct 30, 2023
10.33774/coe-2023-ld2l5
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced flow in deformable carbon nanotubes

, Authors: Ashish Garg
Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-j8ndj
 
Subject: Chemistry
,
Working Paper
, Title:

Superdense hexagonal BP and AlP with quartz topology: Crystal chemistry and DFT study

, Authors: Vladimir L. Solozhenko, Samir F. Matar
Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-qqc2k
 
Subject: Chemistry
,
Working Paper
, Title:

Programmable computational RNA droplets assembled via kissing-loop interaction

, Authors: Hirotake Udono, Minzhi Fan, Yoko Saito, Hirohisa Ohno, Shin-ichiro Nomura, Yoshihiro Shimizu, Hirohide Saito, Masahiro Takinoue
Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-qjw7w
 
Subject: Chemistry
,
Working Paper
, Title:

Conformational Energy Landscapes of Amphiphiles Are Modulated by Polar Co-solutes – a Markov Analysis

, Authors: Biswajit Sadhu, Aurora Clark
Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-8p6j4
 
Subject: Chemistry
,
Working Paper
, Title:

In vivo photocontrol of orexin receptors with a nanomolar light-regulated analogue of orexin-B

, Authors: Davia Prischich, Rosalba Sortino, Alexandre Gomila-Juaneda, Carlo Matera, Salvador Guardiola, Diane Nepomuceno, Monica Varese, Pascal Bonaventure, Luis de Lecea, Ernest Giralt, Pau Gorostiza
Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-r9kds
 
Subject: Chemistry
,
Review
, Title:

Resiniferatoxin: Mechanism in Treating Osteoarthritis Pain and Slowing Osteoarthritis Progression, Safety, and Efficacy

, Authors: David Liu
Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-s9mp3
 
Subject: Chemistry
,
Working Paper
, Title:

Photosensitization Enables Pauson-Khand-type Reactions with Nitrenes

, Authors: Fang Li, W. Felix Zhu, Claire Empel, Oleksandr Datsenko, Adarsh Kumar, Yameng Xu, Johanna H. M. Ehrler, Iuliana Atodiresei, Stefan Knapp, Pavel K. Mykhailiuk, Ewgenij Proschak, Rene M. Koenigs
Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-jj6ln
 
Subject: Chemistry
,
Working Paper
, Title:

Eco Enzyme-Enhanced Constructed Wetlands for Greywater Treatment: Fixing Indonesia’s Onsite Treatment of Domestic Wastewater

, Authors: Felice Ciputra
Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-zff3q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Direct environmental lead detection by photoluminescent perovskite formation with nanogram sensitivity

, Authors: Lukas Helmbrecht, Arno van der Weijden, Sjoerd van Dongen, Christiaan van Campenhout, Willem L. Noorduin
Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-gg17v-v2
 
Subject: Chemistry
,
Working Paper
, Title:

From Particle-in-a-Box Thought Experiment to a Complete Quantum Theory?

, Authors: Jixin Chen
Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2022-xn4t8-v23
 
Subject: Chemistry
,
Working Paper
, Title:

Versatile Biaryls and Fused Aromatics through Oxidative Coupling of Hydroquinones with (Hetero)Arenes

, Authors: Takaaki Aijima, Rina Ueda, Takanori Nakane, Fumiaki Makino, Yusuke Ohnishi, Keiichiro Nakajima, Shinichiro Kamino, Genji Kurisu, Keiichi Namba, Hiroki Nakata, Kaiki Mogi, Hironao Sajiki, Shuji Akai, Yoshinari Sawama
Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-7pf7h
 
Subject: Chemistry
,
Working Paper
, Title:

Structural hysteresis of dilute fluorine salt aqueous solutions

, Authors: Ning Zhang, Shaoheng Wang, Qiongqiong Luo, Jianfeng Tang, Dewen Zeng
Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-t5r6n
 
Subject: Chemistry
,
Working Paper
, Title:

Natural Products Inspired [3 + 2] Cycloaddition Enables Efficient Syntheses of Lignans

, Authors: Dong-Yue Cai, Wei-Ming Shi, Zhao-Hui Jin, Zhi-Xiang Yu, Jin-Xin Zhao, Jian-Min Yue
Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-rsbjr
 
Subject: Chemistry
,
Working Paper
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Version undefined posted 31 October 2023
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Oct 31, 2023
10.26434/chemrxiv-2023-cx1zb
 
Subject: Chemistry
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Oct 31, 2023
10.26434/chemrxiv-2023-wcktz
 
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Posted
Oct 31, 2023
10.26434/chemrxiv-2023-5z37l
 
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Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-r0xn7
 
Subject: Chemistry
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Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-v368j
 
Subject: Chemistry
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Posted
Oct 31, 2023
10.26434/chemrxiv-2023-ffvmq
 
Subject: Chemistry
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Posted
Oct 31, 2023
10.26434/chemrxiv-2023-7nf1c
 
Subject: Chemistry
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Discovery of the Polyketide Lagriamide B by Integrated Genome Mining, Isotopic Labeling, and Untargeted Metabolomics

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Posted
Oct 31, 2023
10.26434/chemrxiv-2023-zthnc
 
Subject: Chemistry
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Working Paper
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Oct 31, 2023
10.26434/chemrxiv-2023-5k2tg
 
Subject: Chemistry
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Posted
Oct 31, 2023
10.26434/chemrxiv-2023-pr52z
 
Subject: Chemistry
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Oct 31, 2023
10.26434/chemrxiv-2023-k2wpt
 
Subject: Chemistry
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Oct 31, 2023
10.26434/chemrxiv-2023-86njv
 
Subject: Chemistry
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Membrane Permeation of Psychedelic Compounds

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Oct 31, 2023
10.26434/chemrxiv-2023-wlxmw
 
Subject: Chemistry
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Laryngeal Cancer Diagnosis via miRNA-based Decision Tree Model

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Oct 31, 2023
10.26434/chemrxiv-2023-r6vz1
 
Subject: Chemistry
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Nondestructive flash cathode recycling

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Posted
Oct 31, 2023
10.26434/chemrxiv-2023-23s14
 
Subject: Chemistry
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Working Paper
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Structure and dynamics of liquid water from ab initio simulations: Adding Minnesota density functionals to Jacob’s ladder

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Oct 31, 2023
10.26434/chemrxiv-2023-4x7kx
 
Subject: Chemistry
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Kartograf: An Accurate Geometry-Based Atom Mapper for Hybrid Topology Relative Free Energy Calculations

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Posted
Oct 31, 2023
10.26434/chemrxiv-2023-0n1pq
 
Subject: Chemistry
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Working Paper
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Low Part-Per-Trillion, Humidity Resistant Detection of Nitric Oxide Using Microtoroid Optical Resonators

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Version undefined posted 31 October 2023
Posted
Oct 31, 2023
10.26434/chemrxiv-2023-7h0sd
 
Subject: Chemistry
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Working Paper
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Harvesting Water from Air with High-Capacity, Stable Furan-Based Metal–Organic Frameworks

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Posted
Oct 31, 2023
10.26434/chemrxiv-2023-frr55
 
Subject: Physics and Astronomy
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Working Paper
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Non-Branching Many Worlds and the 4- Dimensional Universal Wave Function

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Posted
Oct 31, 2023
10.33774/coe-2023-0996d
 
Subject: Mathematics
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Working Paper
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Computation of Algebraic Expressions and Geometric Series with Radicals

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Posted
Oct 31, 2023
10.33774/coe-2023-38c65
 
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