Archive | Cambridge Open Engage

10.26434/chemrxiv-2024-s07kh

Posted

Sep 02, 2024

Lukas Veth, Albert D. Windhorst, Danielle J. Vugts

[18F]CF3I – Enabling Photoredox-mediated Radical [18F]Trifluoromethylation for Positron Emission Tomography

10.26434/chemrxiv-2024-t88k2

Posted

Sep 02, 2024

Shiksha Deswal, Rohan Das, Deeptanu Sarkar, A T Biju

Lewis Acid-Catalyzed 1,3-Dipolar Cycloaddition of Bicyclobutanes with Isatogens: Access to Indoxyl-Fused Bicyclo[3.1.1]heptanes

10.26434/chemrxiv-2024-c9nwc

Posted

Sep 02, 2024

Dominic F. Brightwell, Kushal Samanta, Julie A. Watts, Michael W. Fay, Aniello Palma

Sequence-Controlled Divergent Supramolecular Assembly of Polyproline Helices into Metallo-Peptide Nanoparticles

10.26434/chemrxiv-2024-fr95j

Posted

Sep 02, 2024

Xianyuan Zhao, Zehua Chen, Yang Yang

Constrained Nuclear-Electronic Orbital QM/MM Approach for Simulating Complex Systems with Quantum Nuclear Delocalization Effects Incorporated

10.26434/chemrxiv-2024-gk1ws-v2

Posted

Sep 02, 2024

Alexander Roseborough, Ryan Loughran, Christopher Colla, May Nyman

Aqueous Zr/Hf(IV)-Oxo Cluster Speciation and Separation

10.26434/chemrxiv-2024-9d08f

Posted

Sep 02, 2024

Gihan Panapitiya, Rajeev Jain, Carter Knuston, Andrew McNaughton, Justin M. Wozniak, Thomas Brettin, Rick Stevens, Neeraj Kumar

Impact of Molecular Representations on Deep Learning Model Comparisons in Drug Response Predictions

10.26434/chemrxiv-2024-g95j5-v2

Posted

Sep 02, 2024

Scholarly Communication

BioKulture Design: A Biodesign Praxis for Indigenous Biotechnology Renaissance

Nkwi Flores

Posted

Sep 02, 2024

10.33774/coe-2024-2ctxk

Lucía Morán-González, Jørn Eirik Betten, Hannes Kneiding, David Balcells

The AABBA Graph Kernel: Atom–Atom, Bond–Bond, and Bond–Atom Autocorrelations for Machine Learning

10.26434/chemrxiv-2023-5wbkr-v2

Posted

Sep 02, 2024

Homegrown Biodesign: An Interdisciplinary, Experimental Approach

Cheryl Barr

Posted

Sep 02, 2024

10.33774/coe-2024-9df4w

Yuling Lin, Kaihao Chen, Tianwen Bai, Jun Ling, Xufeng Ni

Isomerization Cationic Ring-Opening Polymerization of CO2-Based Disubstituted-δ-Valerolactone

10.26434/chemrxiv-2024-6gb3m-v2

Posted

Sep 02, 2024

Reuben B. Leveson-Gower, Laura Tiessler-Sala, Henriëtte J. Rozeboom, Andy-Mark W.H. Thunnissen, Jean-Didier Maréchal, Gerard Roelfes

Evolutionary Specialisation of a Promiscuous Artificial Enzyme

10.26434/chemrxiv-2024-483m8

Posted

Sep 02, 2024

Luke Newman, Mackenzie Patton, Breyanna Rodriguez, Ethan Sumner, Valerie Vaissier Welborn

Polarizable AMOEBA force field predicts thin and dense hydration layer around monosaccharides for accurate simulations of carbohydrates in solution

10.26434/chemrxiv-2024-xs327

Posted

Sep 02, 2024

Electrostatic Control of Electronic Structure in Modular Inorganic Crystals

Kanta Ogawa, Aron Walsh

10.26434/chemrxiv-2024-hqfmj

Posted

Sep 02, 2024

Begoña Talavera Andújar, Sandro L. Pereira, Susheel Bhanu Busi, Tatiana Usnich, Max Borsche, Sibel Ertan, Peter Bauer, Arndt Rolfs, Soraya Hezzaz, Jenny Ghelfi, Norbert Brüggemann, Paul Antony, Paul Wilmes, Christine Klein, Anne Grünewald, Emma Schymanski

Exploring Environmental Modifiers of LRRK2-Associated Parkinson’s Disease Penetrance through Exposomics and Metagenomics of Household Dust

10.26434/chemrxiv-2024-rczsl

Posted

Sep 02, 2024

Computation of Analog Theorem for Dirichlet Eta Function and Riemann Zeta Function

Posted

Sep 02, 2024

10.33774/coe-2024-zl78p

Computer Science

“Efficient Complexity”: Evolutionary Perspectives on Natural Intelligence

Serge Dolgikh

Posted

Sep 02, 2024

10.33774/coe-2024-d0s2d

N Leigh Anderson, Alistair Bailey, Perdita Barran, Philip Brownbridge, Kathleen Cain, Rachel S Carling, Rainer Cramer, R Neil Dalton, Matthew E Daly, Kayleigh Davis, Ivan Doykov, Maria Emilia Dueñas, Edward Emmott, Claire E Eyers, Akshada Gajbhiye, Bethany Geary, Pankaj Gupta, Jenny Hällqvist, Evita Hartmane, Simon Heales, Tiaan Heunis, Wendy Heywood, Katherine A Hollywood, Rosalind E Jenkins, Donald JL Jones, Brian Keevil, Henriette Krenkel, Dan Lane, Catherine S Lane, Sophie Lellman, Ellen N Liggett, Xiaoli Meng, Clare Mills, Kevin Mills, Atakan A Nalbant, Leong L Ng, Benjamin Nicholas, Dan Noels, Terry W Pearson, Andrew Pitt, Matthew E Pope, Andrew Porter, George W Preston, Morteza Razavi, Andrew Shapanis, Frances R Sidgwick, Raj Singh, Paul Skipp, Reynard Speiss, Justyna Spiewak, Anna L Tierney, Drupad Trivedi, Matthias Trost, Richard D Unwin, Luke Wainwright, Caitlin Walton-Doyle, Anthony D Whetton, Sandra Wilks, Richard Yip

Development and translation of a method of clinical utility for LC-MS/MS analysis to detect SARS-CoV-2 antigens from ONP swabs and saliva

10.26434/chemrxiv-2024-4t52c

Posted

Sep 02, 2024

New states of water and the emerging field of constrained physics

Zhongzheng Miao

10.26434/chemrxiv-2024-91crn

Posted

Sep 02, 2024

Tamina Kirsch, Tyler Hannah, Saurabh Chitnis

Influence of Pnictogen and Ligand Framework on the Lewis Acidity and Steric Environment in Pnictogen Pincer Complexes

10.26434/chemrxiv-2024-2dp52

Posted

Sep 02, 2024

Benedikt N. Baumann, Phong Dam, Jabor Rabeah, Christoph Kubis, Angelika Brückner, Haijun Jiao, Marko Hapke

Manganese-catalyzed [2+2+2] Cycloaddition Reactions

10.26434/chemrxiv-2024-0rrg8

Posted

Sep 02, 2024

Hannah Gates, Rachel Payne, Haley Pfeifer, Lyly Le, Silvia Crivelli, Masakatsu Watanabe

Roles of Water Molecules in STING Activation: A Computational Perspective

10.26434/chemrxiv-2024-7k67q

Posted

Sep 02, 2024

Trevor A Johnson, Sarah Adelman, Bobby B Najari, Joshua F Robinson, Linda G Kahn, Dimitri P Abrahamsson

Non-Targeted Assessment of Environmental Contaminants and their Correlations with Semen Health Factors in New York City

10.26434/chemrxiv-2024-hdgr5

Posted

Sep 02, 2024

Soumadip Das, Aritra Roy, Navonil Chakrabarti, Narottam Mukhopadhyay, Aniruddha Sarkar, Sayam Sen Gupta

External Photosensitizer Free Function-Integrated Cu(II)-Complex Catalyzed Photo Driven CO2 Reduction

10.26434/chemrxiv-2024-vrv83

Posted

Sep 02, 2024

Genta Nakamura, Masaya Sakurai, Yohei Kametani, Yudai Kawasaki, Yoshihito Shiota, Kazunari Yoshizawa, Seiji Ogo, Takahiro Matsumoto

Photosynthesis of NH3 from NO3– using CH4 in Homogenous Re Catalysis at Room Temperature and Normal Pressure

10.26434/chemrxiv-2024-mzzcr-v2

Posted

Sep 02, 2024

Beyond Natural Dyes: Embracing Sustainable Innovations in Industrial Textile Dyeing

Diane Da-in Kim

10.26434/chemrxiv-2024-ztldb-v2

Posted

Sep 02, 2024

Jared Morse, Nnamdi Ofodum, Fung-Kit Tang, Matthias Schmidt, Xiaocun Lu, Kaho Leung

Leveraging Metal Complexes for Microsecond Lifetime-Based Chloride Sensing

10.26434/chemrxiv-2024-ncn19

Posted

Sep 02, 2024

Pieter Floris Jacobs, Robert Pollice

Developing Large Language Models for Quantum Chemistry Simulation Input Generation

10.26434/chemrxiv-2024-9g2w2

Posted

Sep 02, 2024

Vivek Wakchaure, María Mercedes Lorenzo-García, Francesco Fasano, Martina Crosta, Nicolas Biot, Nicola Demitri, Pradip Kumar Mondal, Benjamin D. Ward, Davide Bonifazi

Stereoselective Synthesis of Hexa-Aryl Borazines: Leaving Flatlands towards sp²-Based 3D Molecular Architectures

10.26434/chemrxiv-2024-74qqp

Posted

Sep 02, 2024

Ádám Dudás, Ádám Gyömöre, Bence Balázs Mészáros, Stefánia Gondár, Renáta Adamik, Dániel Fegyverneki, Dávid Papp, Konrad Bernhard Otte, Sergio Ayala, János Daru, József Répási, Tibor Soós

Selective Reduction of Esters to Aldehydes Using Fiddler Crab-Type Boranes

10.26434/chemrxiv-2024-gkt49

Posted

Sep 02, 2024

A multi-species benchmark for training and validating mass spectrometry proteomics machine learning models

Bo Wen, William Noble

10.26434/chemrxiv-2024-z5b8m

Posted

Sep 02, 2024

Brian DiMento, Isabel Hillestad, Julie Sommer, Aidan Pavia, Niquelina Smith, Patrick Tomco, Zachary Redman

Temperature and hydroxyl radical abundance limit the photochemical degradation kinetics and photoproducts of fluridone in high-latitude aquatic systems

10.26434/chemrxiv-2024-5mpgz

Posted

Sep 02, 2024

Øystein Gullbrekken, Kristoffer Eggestad, Maria Tsoutsouva, Benjamin A. D. Williamson, Daniel Rettenwander, Mari-Ann Einarsrud, Sverre Magnus Selbach

Phase evolution and thermodynamics of cubic Li6.25Al0.25La3Zr2O12 studied by high-temperature X-ray diffraction

10.26434/chemrxiv-2024-4n2j0

Posted

Sep 02, 2024

Pelayo Marin-Villa, Mattia Gaboardi, Boby Joseph, Frederico Alabarse, Jeff Armstrong, Kacper Druzbicki, FELIX FERNANDEZ-ALONSO

Methylammonium Lead Iodide across Physical Space -- Phase Boundaries and Structural Collapse

10.26434/chemrxiv-2024-0gb8z

Posted

Sep 02, 2024

Burcu Gurkan, Mukhilan Dhasarathaboopathy, Palani Sabhapathy

Water-in-Bisalt Electrolytes with Enhanced Transport Properties and Electrochemical Stability

10.26434/chemrxiv-2024-13wd7

Posted

Sep 02, 2024

Sina Katharina Goetzfried, Matthijs L. A. Hakkennes, Anja Busemann, Sylvestre Bonnet

Treatment of Glioblastoma tumors using photoactivated chemotherapy

10.26434/chemrxiv-2024-wtmf0

Posted

Sep 03, 2024

Pranamita Chakraborti, Sourajit Mukherjee, Daphne Oettinger, Aditya Nandy, Yamuna Krishnan, Michael Walter

Mechanistic Basis of the Voltage-Sensitivity of Thiazolothiazole Dyes

10.26434/chemrxiv-2024-cmpzt

Posted

Sep 03, 2024

Art

How do we grow a Biodesigner: Biogenetic Blooms and beyond

Karen Ingram

Posted

Sep 03, 2024

10.33774/coe-2024-7gfnf

Art

GUI/GOOEY: Re-examining technological translations of the biological world

Laura Splan

Posted

Sep 03, 2024

10.33774/coe-2024-qrpv6

SLMat: A Comprehensive Serverless Toolkit for Advanced Materials Design

Kamal Choudhary

10.26434/chemrxiv-2024-fqq27

Posted

Sep 03, 2024

Wanli Zhang, Bryan Lucier, Vinicius Martins, Ivan Hung, Yijue Xu, Zhehong Gan, Amrit Venkatesh, Tian Wei Goh, Wenyu Huang, Aaron Rossini, Yining Huang

Local Order, Disorder, and Everything in Between: Using 91Zr Solid-State NMR Spectroscopy to Probe Zirconium-Based Metal-Organic Frameworks

10.26434/chemrxiv-2024-g11ln

Posted

Sep 03, 2024

Maksym Kovalov, Bohdan Vashchenko

Nitriles as multipurpose reagents for the synthesis of sultams and sultons (review article)

10.26434/chemrxiv-2024-8p0nj

Posted

Sep 03, 2024

Raffaele Vitale, Azar Azizi, Mahdiyeh Ghaffari, Nematollah Omidikia, Cyril Ruckebusch

Three-way data reduction based on essential information

10.26434/chemrxiv-2024-tfsr7-v2

Posted

Sep 03, 2024

Athul Sudheendranath, Srinu Tothadi, Amit Kumar Pradhan, Aditya Kumar Prajapati, Ashwini Nangia, Sajesh P. Thomas

Resolving salt-cocrystal conundrum in multicomponent crystals by using X-ray quantum crystallography

10.26434/chemrxiv-2024-0b9dt

Posted

Sep 03, 2024

Sudip Senapati, Sudhir K. Hota, Lennard Kloene, Claire Empel, Sandip Murarka, Rene M. Koenigs

C-H alkylation of heterocycles via light-mediated palladium catalysis

10.26434/chemrxiv-2024-2v39h

Posted

Sep 03, 2024

Haoming Yang, Haoxin Ye, Song Yan, Chu Chu, Tianxi Yang

Rapid On-Site and Sensitive Detection of Microplastics Using Zirconium (IV)-Assisted SERS Label

10.26434/chemrxiv-2024-mbz91

Posted

Sep 03, 2024

Integrating Quantum Mechanics into Protein-Ligand Docking: Toward Higher Accuracy and Reliability

Laszlo Fusti-Molnar

10.26434/chemrxiv-2024-31glf

Posted

Sep 03, 2024

Applying the principles of green chemistry to achieve a more sustainable polymer life cycle

Francesca Kerton

10.26434/chemrxiv-2024-4w0jh

Posted

Sep 03, 2024

Siying LIU, Lingcheng Su, Chiu-Hong Lee, Jiajun Chen, Huada Daniel Ruan

Determination of major chemical constituents and antimicrobial activities of essential oils extracted from Nonsaleable Grade (NSG) spices of Cymbopogon nardus, Rosmarinus officinalis, Thymus vulgaris and Coriandrum sativum seeds

10.26434/chemrxiv-2024-8h389

Posted

Sep 03, 2024

Kai Sun, Yoshito Heike, Masaya Sawamura, Dennis Chung-Yang Huang, Yohei Shimizu

Photoinduced Boron-Catalyzed β-Allylation of Carboxylic Acids Enabled by a Mixed Two-Ligand System

10.26434/chemrxiv-2024-6vjqd

Posted

Sep 03, 2024

CHENG HAN HUANG, TUNG HUNG HSU

Utilizing Conjoint Survey Experiments to Discern the Preferences of Taiwanese Electorate Regarding Legislative Candidates

Posted

Sep 03, 2024

10.33774/apsa-2024-6q1c9

A Historical Institutionalist Reexamination of the Natural Foot and Natural Breast Movements

Yihao Lu

Posted

Sep 03, 2024

10.33774/apsa-2024-9124x

Gareth Howell, Samuel Genheden

An analysis of published synthetic routes, route targets and reaction types (2000 – 2020)

10.26434/chemrxiv-2024-tj3p3

Posted

Sep 03, 2024

Matteo Tagliavini, Shane Allen Snyder

Flux decline prediction in dead-end ultrafiltration combining fluorescence spectroscopy and mechanism-informed machine learning

10.26434/chemrxiv-2024-scvxg-v3

Posted

Sep 03, 2024

Diana Owen, Alissa Irion-Groth

Preparing Students for Civic Engagement through Project Citizen

Posted

Sep 03, 2024

10.33774/apsa-2024-mfngj

Xiaowen Ji, Mathusa Lakuleswaran, Whitney Cowell, Linda Kahn, Marina Sirota, Dimitri Abrahamsson

An insight into the chemical exposome during pregnancy - A non-targeted analysis study

10.26434/chemrxiv-2024-zh59c

Posted

Sep 03, 2024

Jiating Cai, Linzai Li, Chuitian Wang, Shi Qin, Shengdong Wang, Hui Gao, Zhi Zhou, Yugang Huang, Wei Yi, Zhongyi Zeng

N–N Atropisomer Synthesis via Electrolyte- and Base-Free Electrochemical Cobalt-Catalysed C–H Annulation

10.26434/chemrxiv-2024-cxhpw

Posted

Sep 03, 2024

The "Un-American" Citizen: Reimagining American Identity in a Polarized Nation

Julie Wronski

Posted

Sep 03, 2024

10.33774/apsa-2024-cj5b8

Pride and Politics: The Varied Influence of National Pride on Political Behavior in South Korea, Japan, and China

Hyerin Seo

Posted

Sep 03, 2024

10.33774/apsa-2024-1lng8

Ahmed Mostafa Abdelhady, Shinichi Sato, Tatsuki Masuzawa, Keishi Deguchi, Keita Nakane, Zhengyi Liu, Kazuki Kuwahara, Fumi Nagatsugi, Takanori Oyoshi, Kazumitsu Onizuka

Photocatalytic proximity labeling for the identification of G-quadruplex DNA-interacting proteins

10.26434/chemrxiv-2024-909gq

Posted

Sep 03, 2024

Paola Galano Toro, Luis L. Schenoni, Raul L. Madrid

Conflict and nation: The colonial origins of ethnic exclusion and discrimination in Latin America

Posted

Sep 03, 2024

10.33774/apsa-2024-pbrn4

Wenyou Ye, Liviu Aron, Gregory Gondwe

A Role for News Media in Mass Polarization during the COVID-19 Pandemic

Posted

Sep 03, 2024

10.33774/apsa-2024-8605t

Patterns of COVID-19 Communication Among Americans: Analyzing Local Vulnerabilities, Polarization, and Political Dynamics

Wenyou Ye, Liviu Aron

Posted

Sep 03, 2024

10.33774/apsa-2024-hf7gf

Profit over Public Good: The Impact of Investment Firm Ownership on Local News and Political Behavior

Sean Ewing

Posted

Sep 03, 2024

10.33774/apsa-2024-7dvzx

Dawid Nastula, J.A. Gareth Williams, Piotr Pander

Have we been wrong all along about the luminescence of iridium(III) complexes?

10.26434/chemrxiv-2024-3jxwn

Posted

Sep 04, 2024

Rasmus K. Jakobsen, Stine G. Stenspil, Junsheng Chen, Bo Laursen

Dynamic Proton Coupled Electron Transfer Quenching as Sensing Modality in Fluorescent Probes

10.26434/chemrxiv-2024-zk6gr

Posted

Sep 04, 2024

Long Qian, Xin Lu, Parvez Haris, Jianyong Zhu, Shuo Li, Yingjie Yang

A Survey of Artificial Intelligence Methods for Clinical Trial Outcome Prediction

10.26434/chemrxiv-2024-08t4w

Posted

Sep 04, 2024

Kazeem Olanrewaju, Ashlee N. Ford Versypt

Roles of Chemical Species Transport and Transformation in the Biophysics of Human Pathophysiology

10.26434/chemrxiv-2024-m37md

Posted

Sep 04, 2024

Arghadip Ghosh, koneti kondalarao, Akhila Kumar Sahoo

Sulfoximine Aided d-1,1-Cascade Heterocyclization of Unactivated Alkenes

10.26434/chemrxiv-2024-hnswv

Posted

Sep 04, 2024

Bilal Ali, Trenton J. Davis, Daniela F. Gutiérrez-Muñoz, Heather D. Bean

Using retention index database matching for compound identification on a non-standard gas chromatography stationary phase

10.26434/chemrxiv-2024-v4d1l

Posted

Sep 04, 2024

Subhendu Jana, Eric Gabilondo, Machima Mongkhonratanachai, Yujie Zhang, P. Shiv Halasyamani, Paul Maggard

Large Mid-Infrared SHG Activities in Eu(II)-Based Quaternary Chalcogenides

10.26434/chemrxiv-2024-d2924-v2

Posted

Sep 04, 2024

Zehua Chen, Jingjing Zheng, Donald Truhlar, Yang Yang

Constrained Nuclear-Electronic Orbital Transition State Theory Using Energy Surfaces with Nuclear Quantum Effects

10.26434/chemrxiv-2024-9q0hj-v2

Posted

Sep 04, 2024

Ricardo Scheufen Tieghi, Cleber Melo Filho, Holli-Joi Martin, Jose Teofilo Morera Filho, Tripp LaPratt, Dave Allen, Judy Strickland, Alexander Tropsha, Nicole Kleinstreuer, Eugene Muratov

Proving the Potential: External Validation of STopTox as in Silico Alternative to Animal Toxicity Testing

10.26434/chemrxiv-2024-f54pl

Posted

Sep 04, 2024

Phuong Le, Andong Liu, Leo Zasada, Jackson Geary, Ashlyn Kamin, Devin Rollins, Hao Nguyen, Audrey Hill, Yayuan Liu, Dianne Xiao

Nitrogen-rich conjugated macrocycles: Synthesis, conductivity, and application in electrochemical CO2 capture

10.26434/chemrxiv-2023-3ml48-v2

Posted

Sep 04, 2024

Samyadev Giri, Ramesh Giri

An I2-catalyzed, Visible-Light Photoredox-Mediated Radical Conversion of a-Nitrocarbonyls to Nitrile Oxides. Catalytic Access to Isoxazolines and Isooxazoles from Alkenes and Alkynes

10.26434/chemrxiv-2024-16d7c

Posted

Sep 04, 2024

James Langford, Yuzhe Zhang, Zehua Chen, Yang Yang

Where is the Hidden Intramolecular H-bonding Vibrational Signal in the Proline Matrix IR Spectrum?

10.26434/chemrxiv-2023-tp95r-v2

Posted

Sep 04, 2024

Maxime Bourguignon, Bruno Grignard, Christophe Detrembleur

Fast, catalyst-free room temperature production of isocyanate-free polyurethane foams using aromatic thiols

10.26434/chemrxiv-2024-pn8s7

Posted

Sep 04, 2024

Lina Dong, Pengfei Li, Binju Wang

Enhancing MM/P(G)BSA Methods: Integration of Formulaic Entropy for Improved Binding Free Energy Calculations and Virtual Screening Efficiency

10.26434/chemrxiv-2024-9308m

Posted

Sep 04, 2024

Toluene Hydrogenation Catalyzed by Pt Nanoparticles: Kinetically Relevant Steps, Binding Ensembles, and Temperature Effects on Turnover Rates.

Ari Fischer

10.26434/chemrxiv-2024-13dc5

Posted

Sep 04, 2024

Henning Maag, Matthias Schmitz, Alexander Sandvoß, Domenik Mundil, Abhilash Pedada, Felix Glaser, Christoph Kerzig, Johannes Markus Wahl

Photocyclization of Fluorinated Acetophenones Unlocks an Efficient Way to Solar Energy Storage

10.26434/chemrxiv-2024-2cp8z

Posted

Sep 04, 2024

Alexandra Siklitskaya, Tomasz Bednarek, James Pogrebetsky, Adam Kubas

An overview of physical and chemical long-range phenomena governed by Friedel oscillations: a~bridge between physics and chemistry

10.26434/chemrxiv-2024-9w4t7

Posted

Sep 04, 2024

Aleksandar Jagličić, Torben Gädt, Matthias Hofmann

Programmatic Data Analysis for Quantitative Isothermal Heat Flow Calorimetry of Cementitious Materials

10.26434/chemrxiv-2024-wqd2m

Posted

Sep 04, 2024

Yong Ren, Zhixuan Zhou, Iain Harley, Özlem Aydin, Jiaqi Xing, Konrad Maxeiner, Ingo Lieberwirth, Katharina Landfester, David Y.W. Ng, Tanja Weil

Visible Light-Controlled Intracellular Synthesis of Supramolecular Peptide Nanostructures

10.26434/chemrxiv-2024-2w2cs

Posted

Sep 04, 2024

Sebastian Pineda, Pablo Blanco, Roman Staňo, Peter Kosovan

Patchy charge distribution affects the pH in protein solutions during dialysis.

10.26434/chemrxiv-2024-2fzdp

Posted

Sep 04, 2024

Koki Ide, Tetsuro Tsuji, Takayuki Suzuki, Kenji Setoura

Brownian Dynamics Simulation of Microscale Thermophoresis in Liquid

10.26434/chemrxiv-2024-10n14

Posted

Sep 04, 2024

Wesley Reinhart, Antonia Statt

Large language models design sequence-defined macromolecules via evolutionary optimization

10.26434/chemrxiv-2024-9146h

Posted

Sep 04, 2024

Machine Learning-Guided Strategies for Reaction Condition Design and Optimization

Lung-Yi Chen, Yi-Pei Li

10.26434/chemrxiv-2024-wt75q-v2

Posted

Sep 04, 2024

Vivek Aryal, Supuni I. N. Hewa Inaththappulige, Ayush Acharya, Ramesh Giri

Ni-Catalyzed Regioselective Alkylarylation of Unactivated Alkenes in Amines Enabled by Nitrile and EDA as a Ligand Dyad

10.26434/chemrxiv-2024-d4wvk

Posted

Sep 04, 2024

Accurately estimating activation energies by leveraging neural network methods and a large dataset

Guo-Jin Cao

10.26434/chemrxiv-2024-4qb7s

Posted

Sep 04, 2024

Ciceron Ayala-Orozco, Vardan Vardanyan, Katherine Lopez-Jaime, Zicheng Wang, Jorge Seminario, Anatoly Kolomeisky, James Tour

Mechanism of Plasmon-Driven Molecular Jackhammers in Mechanical Opening and Disassembly of Membranes

10.26434/chemrxiv-2024-8cfcc-v2

Posted

Sep 04, 2024

Jingxiang Wang, Jhon Sebastian Oviedo Ortiz, Aidan McKay, David Cordes, Jeanne Crassous, Eli Zysman-Colman

A chiral propeller-shaped triple helicene shows multi-resonant thermally activated delayed fluorescence

10.26434/chemrxiv-2024-prg96

Posted

Sep 04, 2024

Luisa Barrera, Bradley Layne, Zejie Chen, Kenta Watanabe, Akihiko Kudo, Daniel Esposito, Shane Ardo, Rohini Bala Chandran

Revealing the Role of Redox Reaction Selectivity and Mass Transfer in Current–Voltage Predictions for Ensembles of Photocatalysts

10.26434/chemrxiv-2024-wbj8k-v2

Posted

Sep 04, 2024

Jiaxing Huang, Meilin Li, Cuiping Han, LI YUAN

Stable Triphenolamine Radical Cathode with High Electron Conductivity for High-Rate Aqueous Zinc-ion Batteries

10.26434/chemrxiv-2024-g6qcz

Posted

Sep 04, 2024

Marcelo Polêto, Justin Lemkul

Structural and electronic properties of polyethylene terephthalate (PET) from polarizable molecular dynamics simulations

10.26434/chemrxiv-2024-dwhb8

Posted

Sep 04, 2024

Bojun Liu, Siqin Cao, Jordan G Boysen, Mingyi Xue, Xuhui Huang

Memory Kernel Minimization Based Neural Networks for Discovering Slow Collective Variables of Biomolecular Dynamics

10.26434/chemrxiv-2024-71qrl

Posted

Sep 04, 2024

Virginia James, Rianna Godula, Jessica Perez, Josh Beckham, Jamie Butalewicz, Sarah Sipe, Jon Huibregtse, Jennifer Brodbelt

Native mass spectrometry reveals binding interactions of SARS-CoV-2 PLpro with inhibitors and ISG15

10.26434/chemrxiv-2023-v6j35-v3

Posted

Sep 04, 2024

Rachana Niranjan Murthy, Sai Teja Potu, Akhil Thomas, Lokesh Mishra, Natalie Prange, Ali Riza Durmaz

Ontology-conformal recognition of materials entities using language models

10.26434/chemrxiv-2024-6ggsq

Posted

Sep 04, 2024

Nitesh Kumar, Joshua Bilsky, Aurora Clark

Isotropic <--> Anisotropic Surface Geometry Transitions Induced by Adsorbed Surfactants at Water/Vapor Interfaces

10.26434/chemrxiv-2023-x66jd-v3

Posted

Sep 04, 2024

Lindsay J. Benstead, Elif Sari-Genc

Is Gender Diplomacy Effective? Women’s Representation and Public Diplomacy in Authoritarian Regimes

Posted

Sep 04, 2024

10.33774/apsa-2024-ndrhf

Jiaxing Huang, Ziming Chen, Yiheng Zhang, Jing Wang, Wanqing Cai, Jing Liu, Qiao Meng, jie Su, Dongxiang Luo, Yonggang Min, LI YUAN, Qifan Xue

Stable 25 % Efficiency Inorganic Perovskite/Organic Tandem Solar Cells Enabled by Methoxy-free D-A-D'-A-D Interconnecting Layer

10.26434/chemrxiv-2024-hsvvp

Posted

Sep 05, 2024

Seokbum Kang, Dedy Setiawan, Seung-Tae Hong, Hochun Lee

A free-standing sulfone-based solid-state electrolyte mitigating the release of crystal water from the Prussian blue cathode for high voltage potassium batteries

10.26434/chemrxiv-2024-gt14s

Posted

Sep 05, 2024

George Starostin, Mariam Akopian, Gennady Vdovin, Inna Starostina, Dmitry Medvedev

Localization of CuO, NiO, and Co3O4 sintering additives in dense proton-conducting perovskite ceramics based on BaSnO3

10.26434/chemrxiv-2024-d33w4

Posted

Sep 05, 2024

Minsub Um, Sheryl L. Sanchez, Hochan Song, Benjamin J. Lawrie, Hyungju Ahn, Sergei V. Kalinin, Yongtao Liu, Hyosung Choi, Jonghee Yang, Mahshid Ahmadi

Tailoring Molecular Space to Navigate Phase Complexity in Cs-based Quasi-2D Perovskites via Gated-Gaussian-Driven High-Throughput Discovery

10.26434/chemrxiv-2024-8qtk2

Posted

Sep 05, 2024

Lennart Witting, Johannes Seiffarth, Birgit Stute, Tim Schulze, Jan Matthis Hofer, Katharina Nöh, Marion Eisenhut, Andreas Weber, Eric von Lieres, Dietrich Kohlheyer

A microfluidic system for cultivation of cyanobacteria with precise light intensity and CO2 control: Enabling growth data acquisition at single-cell resolution.

10.26434/chemrxiv-2024-wn1m8

Posted

Sep 05, 2024

Zhiyong Zheng, Simon Grall, Soo Hyeon Kim, Arnaud Chovin, Nicolas Clément, Christophe Demaille

The Energetics of Electron Transfer in Redox-DNA Layers Mimics that of Redox Proteins

10.26434/chemrxiv-2024-k51xn

Posted

Sep 05, 2024

Naoyuki Nishimura, Hiroyuki Kanda, Takurou N. Murakami

Compensational Effects of 4-tert-Butylpyridine Additive for PTAA Hole Transport Material Using a Spontaneous Perovskite Passivator in Perovskite Solar Cells

10.26434/chemrxiv-2024-fh0jj

Posted

Sep 05, 2024

Arun Haridas Choolakkal, Pentti Niiranen, Samira Dorri, Jens Birch, Henrik Pedersen

Competitive co-diffusion as a route to enhanced step coverage in chemical vapor deposition

10.26434/chemrxiv-2024-nlf00-v3

Posted

Sep 05, 2024

Mingjie Zhang, Faezeh Makhlooghiazad, Urbi Pal, Mahin Maleki, Shinji Kondou, Giuseppe A Elia, Claudio Gerbaldi, Maria Forsyth

Synergistic Combination of Crosslinked Polymer and Concentrated Ionic Liquid for Electrolytes with High Stability in Solid-State Lithium Metal Batteries

10.26434/chemrxiv-2024-x7v3z

Posted

Sep 05, 2024

Olivier Cala, Charlotte Bocquelet, Chloé Gioiosa, Felix Torres, Samuel F. Cousin, Sylvie Guibert, Morgan Ceillier, Venita Busse, Frank Decker, James G. Kempf, Stuart J. Elliott, Quentin Stern, Aurélien Bornet, Sami Jannin

Micromolar concentration affinity study on a benchtop NMR spectrometer with secondary 13C labeled hyperpolarized ligands

10.26434/chemrxiv-2024-s4t56-v2

Posted

Sep 05, 2024

Hiroaki Nishiyama, Wataru Tabata, Haruka Matsumoto, Shun Odashima, Shion Narushima

Plasmonic microgel actuation induced by diffractively excited modes

10.26434/chemrxiv-2024-xlpxn-v2

Posted

Sep 05, 2024

Education

Hannah Kannenberg, Johann Bauerfeind, Falko Matthes, Mareike Gast

BurgLabs - A participatory approach towards interdisciplinary biodesign research

Posted

Sep 05, 2024

10.33774/coe-2024-6z3nb

Education

Futures in Biodesign: Navigating Speculative Realms to Grow a Biodesign Framework (A Student's Perspective)

Vanshika Singh Gupta

Posted

Sep 05, 2024

10.33774/coe-2024-scsc1

Education

Caroline Chou, Sally Kong, Angeli Magdaraog, Nathaniel Ahn, Nashrah Arshad, Emil Chen, Kevin Chen, Fiona Chi, Serena Feng, Christy Lin, Brian Liu, MenYi Li Zhang, Miya Zhu

Roots of Renewal: Biodesign Community Program for AAPI Youth

Posted

Sep 05, 2024

10.33774/coe-2024-2kq73

Dongfang Cheng, Khanh-Ly C. Nguyen, Vaidish Sumaria, Ziyang Wei, Zisheng Zhang, Winston Gee, Yichen Li, Carlos G. Morales-Guio, Markus Heyde, Beatriz Roldan Cuenya, Anastassia N. Alexandrova, Philippe Sautet

Structure Sensitivity and Catalyst Restructuring for CO2 Electro-reduction on Copper

10.26434/chemrxiv-2024-z3dlp-v2

Posted

Sep 05, 2024

Ukyo Ogi, Shuichi Ikeda, Kentaro Okano, Masaki Horie, Atsunori Mori

Borylative Desymmetrization of multifunctional haloarenes assisted by sodium dispersion

10.26434/chemrxiv-2024-0x3xj-v2

Posted

Sep 05, 2024

Laura Remmel, Andreas Meyer, Katrin Ackermann, Gregor Hagelüken, Marina Bennati, Bela Bode

Pulsed EPR Methods in the Angstrom to Nanometre Scale Shed Light on the Conformational Flexibility of a Fluoride Riboswitch

10.26434/chemrxiv-2024-f8czr-v3

Posted

Sep 05, 2024

The-Chuong Trinh, Tieu-Long Phan, Van-Thinh To, Thanh-An Pham, Gia-Bao Truong, Hoang-Son Le, Xuan-Truc Tran, Tuyen Ngoc Truong

SYNERGY OF ADVANCED MACHINE LEARNING AND DEEP NEURAL NETWORKS WITH CONSENSUS MOLECULAR DOCKING FOR ENHANCED POTENCY PREDICTION OF ALK INHIBITORS

10.26434/chemrxiv-2024-xpfm1

Posted

Sep 05, 2024

Andrew Boggiano, Chad Studvick, Sabyasachi Roy Chowdhury, Julie Niklas, Haruko Tateyama, Hongwei Wu, Johannes Leisen, Florian Kleemiss, Bess Vlaisavljevich, Ivan Popov, Henry La Pierre

Praseodymium in the Formal +5 Oxidation State

10.26434/chemrxiv-2024-cb3zj

Posted

Sep 05, 2024

Allison B. Esselman, Megan S. Ward, Cody R. Marshall, Ellie L. Pingry, Martin Dufresne, Melissa A. Farrow, Matthew Schrag, Jeffrey M. Spraggins

A Streamlined Workflow for Microscopy-Driven MALDI Imaging Mass Spectrometry Data Collection

10.26434/chemrxiv-2024-mlczt

Posted

Sep 05, 2024

Sourav Biswas, Tomoya Tanaka, Haohong Song, Masaki Ogami, Yamato Shingyouchi, Sakiat Hossain, Maho Kamiyama, Taiga Kosaka, Riki Nakatani, Yoshiki Niihori, Saikat Das, Tokuhisa Kawawaki, De-en Jiang, Yuichi Negishi

Highly Selective Methanol Synthesis Using Electrochemical CO2 Reduction with Defect-Engineered Cu58 Nanoclusters

10.26434/chemrxiv-2024-d9zmf

Posted

Sep 05, 2024

Anuradha Goswami, Jia-Qian Jiang, Roberts Joanne, Michael Petri

Fenton-Enhanced zero-valent iron powder oxidation: Investigating transformation products of antimicrobials and its removal

10.26434/chemrxiv-2024-3dttc

Posted

Sep 05, 2024

Dave Hutchins, Jared Yarnall-Schane, Maëlys Renaud, Sarah McInerney

How do we grow a biodesigner? Inspire them with nature and encourage them to be dreamers and storytellers

Posted

Sep 05, 2024

10.33774/coe-2024-3h36t

Engineering

Hasin Ahmad Zahin, Asif Hasan Zeshan

Habitat 2.0: Design Approach toward a trans-planetary multispecies settlement for coexistence.

Posted

Sep 05, 2024

10.33774/coe-2024-3ffw1

Andrew Tarzia, Wentao Shan, Victor Posligua, Cameron Cox, Louise Male, Benjamin Egleston, Rebecca Greenaway, Kim Jelfs, James Lewis

A combined experimental and computational exploration of heteroleptic cis-Pd2L2L’2 coordination cages through geometric complementarity

10.26434/chemrxiv-2024-s0mmw

Posted

Sep 05, 2024

Sarah Evans, Sean Craig, Samantha Bryan, Parimala Shivaprasad

Study of the potential for Streptomyces coelicolor to produce bioactive compounds from flower waste as a sustainable feedstock

10.26434/chemrxiv-2024-zbgw7

Posted

Sep 05, 2024

Yun Hu, Hillary Dequina, Minxue Huang, Yun Ding, Martha Vestling, Jing Chai, Jennifer Schomaker

HILIC-LC-MS assisted oxidative three-component on-DNA click reactions

10.26434/chemrxiv-2024-42fn7

Posted

Sep 05, 2024

Lin Su, Santiago Rodriguez Jimenez, Marion Short, Erwin Reisner

Adapting Gas Fermenting Bacteria for Light-driven Domino Valorization of CO2

10.26434/chemrxiv-2024-hw6dn

Posted

Sep 05, 2024

Bharath Raj Madhanagopal, Arun Richard Chandrasekaran

DNA nanotechnology in the undergraduate laboratory: Toehold-less strand displacement in switchback DNA

10.26434/chemrxiv-2024-rv2tv

Posted

Sep 05, 2024

Eva Harsevoort, Razvan Cioc, Martin Lutz, Arnaud Thevenon, Pieter Bruijnincx

Closed-loop chemical recycling of a biobased poly(oxanorbornene-fused γ-butyrolactone)

10.26434/chemrxiv-2024-tb06r

Posted

Sep 05, 2024

Lucas Korbanka, Ju-An Kim, Seunghyun Sim

Macroscopic Assembly of Materials with Engineered Bacterial Spores via Coiled-Coil Interaction

10.26434/chemrxiv-2024-0ldq8

Posted

Sep 05, 2024

Joe Simmons, Subham Sarkar, Andrew Ezazi, Aishanee Sur, Ethan Iverson, Merissa Morey, Austin Chivington, Jaime Grunlan, David Powers, Eric Bloch

Optically Transparent Porous Salt Thin Films Enable In Situ Characterization of Structure- and Depth-Dependent Post-Synthetic Metalation

10.26434/chemrxiv-2024-8jxvh

Posted

Sep 05, 2024

Bikirna Roy, V. M. Hridya, Arnab Mukherjee

Memory Effects Explain the Fractional Viscosity Dependence of Rates associated with Internal Friction: Simple Models and Applications to Butane Dihedral Rotation

10.26434/chemrxiv-2024-qrq5r-v2

Posted

Sep 05, 2024

D. Lars Nelson, Stephanie Sandoval, Jaechan Pyo, Donald Bistri, Talia Thomas, Kelsey Cavallaro, John Lewis, Abhinav Iyer, Pavel Shevchenko, Claudio Di Leo, Matthew McDowell

Fracture Dynamics in Silicon Anode Solid-State Batteries

10.26434/chemrxiv-2024-lmcql

Posted

Sep 05, 2024

Emmaline R. Lorenzo, Birendra Karki, Katie E. White, Kristen H. Burns, Christopher G. Elles

Tunable FSRS Measurements with Reduced Background Signals: Using a Low-Finesse Etalon Filter to Generate Picosecond Pump Pulses in the 460-650 nm Range

10.26434/chemrxiv-2024-szqnb

Posted

Sep 05, 2024

Star-like docking to F mutations of respiratory syncytial virus

julio coll

10.26434/chemrxiv-2024-br178

Posted

Sep 05, 2024

Kesha N. Tamakuwala, Robert P. Kennedy, Chastity S. Li, Benjamin Mutz, Peter Boller, Simon R. Bare, Matthew W. Kanan

Intermediate-Temperature Reverse Water-Gas Shift Under Process Relevant Conditions Catalyzed by Dispersed Alkali Carbonates

10.26434/chemrxiv-2024-j2s9d

Posted

Sep 05, 2024

Katarzyna Zakręt-Drozdowska, Bożena Szermer-Olearnik, Waldemar Goldeman, Michalina Gos, Dawid Drozdowski, Anna Gągor, Tomasz M. Goszczyński

Unraveling the Correlation between Biological Effects and Halogen Substituents in Cobalt bis(dicarbollide)

10.26434/chemrxiv-2024-sh5q1

Posted

Sep 05, 2024

Benjamin F. Trueman, Madison Gouthro, Amina K. Stoddart, Graham A. Gagnon

A comprehensive approach to analyzing environmental data with non-detects

10.26434/chemrxiv-2024-m2h4h

Posted

Sep 05, 2024

Carlos Xabel Lastra Anadon, Paul E. Peterson

Funding, school staffing practices and duty-to-bargain

Posted

Sep 05, 2024

10.33774/apsa-2024-4jb0x

Dominika Kobus-Bartoszewicz, Mariusz Zalewski, Krzysztof Melcer, Mikołaj Warda, Sebastian Stecko

Synthesis of γ-amino acids via photoinduced hydrocarboxylation of allylamines

10.26434/chemrxiv-2024-cj5nq

Posted

Sep 06, 2024

Mark Eberhart, Timothy Wilson, Travis Jones, Anastassia Alexandrova

Electric fields imbue enzyme reactivity by aligning active site fragment orbitals

10.26434/chemrxiv-2024-zgx7z-v2

Posted

Sep 06, 2024

Kacey Ortiz, Andrew Brusoe, Jason An, Eugene Chong, Lifen Wu

Green Synthesis of Morpholines via Selective Monoalkylation of Amines

10.26434/chemrxiv-2024-5vwkp-v2

Posted

Sep 06, 2024

Law

GLOBAL SOUTH’S JUDICIAL APPROACH TO PRESERVE THE ENVIRONMENT: AN OVERVIEW OF THE SELECTED SOUTH-ASIAN ENVIRONMENTAL JUDGMENTS

Omar Farque

Posted

Sep 06, 2024

10.33774/coe-2024-fpzxc

Computation of Analog Theorem for Dirichlet Eta Function and Riemann Zeta Function

10.33774/coe-2024-bcsk5-v2

Posted

Sep 06, 2024

Do Hyung Kang, Masafumi Koga, Neal Haldar, Daniel M. Neumark

Dynamics of Photoexcited 5-Bromouracil and 5-Bromo-2'-Deoxyuridine Studied by Extreme Ultraviolet Time-resolved Photoelectron Spectroscopy in Liquid Flat Jets

10.26434/chemrxiv-2024-llkmj-v2

Posted

Sep 06, 2024

Leonid Lavnevitch, Pierre Evenou, Rebecca Churamani, Valérian Libérioux, Dmitri Colesnic, Rafael Ferreira-Veloso, Carlos Henrique-Fernandes, Charline Fagnen, Gaëlle Pembouong, Pierre-Alexandre Driguez, Catherine Venien-Bryan, Mickaël Ménand, Laurent Bouteiller, Matthieu Sollogoub

Sugars as capsid proteins, formation and cryo-EM structure of a viro-inspired architecture

10.26434/chemrxiv-2024-v90l8

Posted

Sep 06, 2024

Elias Eder, Miriam Kadinger, Sandro Hiller, Stefan Arzbacher

Hydrate-based Carbon Capture via Pressure Swing in a Packed Bed of Ice

10.26434/chemrxiv-2024-tfmjn-v2

Posted

Sep 06, 2024

Harry Wilders, George Biggs, Sam Rowe, Emma E. Cawood, Alan R. Rendina, Emma K. Grant, Jonathan Pettinger, David J. Fallon, Mark Skehel, David House, Nicholas C. O. Tomkinson, Jacob T. Bush

Expedited SARS-CoV-2 main protease inhibitor discovery through modular ‘direct-to-biology’ screening

10.26434/chemrxiv-2024-zj8mz

Posted

Sep 06, 2024

Simon Gersib, Erik Askins, Matthew Li, Supundrika Subasinghe, Biki Behera, Dan McElheny, Seoung-Bum Son, Khalil Amine, Ksenija Glusac, Neal Mankad

Dimolybdenum paddlewheel complexes with cation binding sites as electrolyte additives to manipulate the solid-electrolyte interphase at lithium metal anodes

10.26434/chemrxiv-2024-769n0

Posted

Sep 06, 2024

Andrei Novitskii, Michael Toriyama, Illia Serhiienko, Takao Mori, G. Jeffrey Snyder, Prashun Gorai

Defect Engineering of Bi2SeO2 Thermoelectrics

10.26434/chemrxiv-2024-0tk96

Posted

Sep 06, 2024

SABYASACHI ROY CHOWDHURY, Naomi Rehberg, Bess Vlaisavljevich

Computational Investigation of the Chemical Bond Between An(III) Ions and Soft Donor Ligands

10.26434/chemrxiv-2024-qzb1v

Posted

Sep 06, 2024

Shiyi Qin, Surajudeen Omolabake, Aminata Diaby, Jianping Li, Leonardo Gonzalez, Christopher Holland, Victor Zavala, Shannon Stahl, Reid Van Lehn

Identifying Green Solvent Mixtures for Bioproduct Separation Using Bayesian Experimental Design

10.26434/chemrxiv-2024-12h5f

Posted

Sep 06, 2024

Tamara Ewing, Nils Kurig, Yoshio Yamaki, Jiawei Sun, Timothy Knowles, Asha Gollapudi, Yu Kawamata, Phil Baran

Pyrolytic Carbon: An Inexpensive, Robust, and Versatile Electrode for Synthetic Organic Electrochemistry

10.26434/chemrxiv-2024-4jw94

Posted

Sep 06, 2024

Yuzhi Xu, Daqian Bian, Cheng-Wei Ju, Fanyu Zhao, Pujun Xie, Yuanqing Wang, Wei Hu, Zhenrong Sun, John Zhang, Tong Zhu

EnviroDetaNet: Pretrained E(3)-equivariant Message-Passing Neural Networks with Multi-Level Molecular Representations for Organic Molecule Spectra Prediction

10.26434/chemrxiv-2024-scchg

Posted

Sep 06, 2024

Phuong Vo, Maciej Haranczyk

Insights into Thermal Conductivity at the MOF-Polymer Interface

10.26434/chemrxiv-2024-bj9b2

Posted

Sep 06, 2024

MD Ridwan Adib, Colm Barrett, Shane O'Sullivan, Anna Flynn, Marie McFadden, Emer Kennedy, Alan O'Riordan

In Situ pH-Controlled Electrochemical Sensors for Glucose and pH Detection in Saliva

10.26434/chemrxiv-2024-8q4qd

Posted

Sep 06, 2024

Lucille Weiss, Antoine Mirloup, Léa Blondé, Hanna Manko, Jean Peluso, Dominique Bonnet, Dmytro Dziuba, Julie Karpenko

Fluorescent Antimicrobial Peptides Based on Nile Red: Effect of Conjugation Site and Chemistry on Wash-free Staining of Bacteria

10.26434/chemrxiv-2024-p94mm-v2

Posted

Sep 06, 2024

Jeremy Lowen, Teresa Insinna, Tharigopala Beatriceveena, Mark Stockham, Bo Dong, Sarah Day, Clare Grey, Emma Kendrick, Peter Slater, Paul Anderson, Joshua Makepeace

Quasi-liquid grain boundary conductivity in solid electrolyte candidate lithium imide

10.26434/chemrxiv-2024-jrz0h

Posted

Sep 06, 2024

Alejandro Galán-González, Juan G. Galindo-Callén, Isaías Fernández, Nestor J. Zaluzec, Sofie Cambré, Raúl Arenal, Ana M. Benito, Wolfgang K. Maser

Controlled Growth of Phase-Pure α-Fe2O3 Nanoparticles on g-C3N4 for the Construction of High-Performance Direct Z-Scheme Heterojunction Photocatalysts

10.26434/chemrxiv-2024-gx23r

Posted

Sep 06, 2024

Vojtech Kundrat, Lothar Houben, Jakub Zalesak, Iddo Pinkas, Rita Rosentsveig, Reshef Tenne

Core-Shell Nanotubes from Tungsten/Molybdenum Ditelluride-Tungsten Disulfide via Van der Waals Epitaxy

10.26434/chemrxiv-2024-8zm9v

Posted

Sep 09, 2024

Julio Belmar M., Kristofer Bonilla W., Claudio Jiménez A., David Villaman

Synthesis and Characterization of New Formylpyrazolones and Schiff bases

10.26434/chemrxiv-2024-7vvr8-v2

Posted

Sep 09, 2024

Anmol Kumar, Himanshu Goel, Wenbo Yu, Mingtian Zhao, Alexander D. MacKerell

Modeling Ligand Binding Site Water Networks with Site-Identification by Ligand Competitive Saturation: Impact on Ligand Binding Orientations and Relative Binding Affinities

10.26434/chemrxiv-2024-sqhw9-v2

Posted

Sep 09, 2024

Matthew Elardo, Adelaide Levenson, Ana Paula Kitos Vasconcelos, Meredith Pomfret, Matthew Golder

A General Synthesis of Cyclic Bottlebrush Polymers With Enhanced Mechanical Properties via Graft-Through Ring Expansion Metathesis Polymerization

10.26434/chemrxiv-2024-8tnrx-v2

Posted

Sep 09, 2024

Philipp Janssen, Fabrice Becker, Friederike T. Füsser, Nataliya Tolmachova, Tetiana Matviiuk, Ivan Kondratov, Manfred Weiss, Daniel Kümmel, Oliver Koch

Design and Crystallographic Screening of a Highly Sociable and Diverse Fragment Library Towards Novel Antituberculotic Drugs

10.26434/chemrxiv-2024-rpst3-v2

Posted

Sep 09, 2024

Babak Mahjour, Juncheng Lu, Jenna Fromer, Nicholas Casetti, Connor Coley

Ideation and Evaluation of Novel Multicomponent Reactions via Mechanistic Network Analysis and Automation

10.26434/chemrxiv-2024-qfjh9-v3

Posted

Sep 09, 2024

Satomy Pousa, Pablo E. Ramos-Bermúdez, Vladimir Besada, Ania Cabrales-Rico, Hilda Elisa Garay, Alina Rodríguez-Mallón, Katharina Zettl, Jacek R Wiśniewski, Luis Javier González

Characterization by LC-MS/MS of two conjugate vaccines using KLH as carrier protein

10.26434/chemrxiv-2024-nslhn-v2

Posted

Sep 09, 2024

Dimensional Analysis of Diffusive Association Rate Equations

Jixin Chen

10.26434/chemrxiv-2024-3h0fn-v2

Posted

Sep 09, 2024

Sustainable Natural Fiber Based Composites Materials: A Review

Imam Hossain Imon

10.26434/chemrxiv-2024-4tcbv

Posted

Sep 09, 2024

Thomas Hooper, Rodrigo de Oliveira Silva, Dimitrios Sakellariou

High-resolution in-situ photo-irradiation MAS NMR: Application to the UV-polymerization of n-butyl acrylate

10.26434/chemrxiv-2024-5sfvf

Posted

Sep 09, 2024

Franziska Flecken, Arjun Neyyathala, Toni Grell, Schirin Hanf

A bench-stable fluorophosphine nickel(0) complex and its catalytic application

10.26434/chemrxiv-2024-vtmqd

Posted

Sep 09, 2024

Rituraj Borah, Sammy W. Verbruggen

Nanoscale Energy Balance of Plasmonic Antenna-Reactor Catalyst for Light Driven Reactions: Role of Hot carriers vs. Photo-thermal Effect

10.26434/chemrxiv-2024-z9j5p

Posted

Sep 09, 2024

Ana Rebeka Kamšek, Francisco Ruiz-Zepeda, Marjan Bele, Anja Logar, Goran Dražić, Nejc Hodnik

Identifying Structure-Stability Relationships in Individual Pt-Alloy Nanoparticles Using Identical-Location 4D-STEM and Unsupervised Machine Learning

10.26434/chemrxiv-2024-x6f6m

Posted

Sep 09, 2024

David Armstrong, Ulrich Fekl

Comment on "Structure of a novel form of carbon: dehydropolycondensed adamantane?" by J. S. Rigden, K. J. Koivusaari, R. J. Newport, D. A. Green, G. Bushnell-Wye and J. Tomkinson, J. Mater. Chem. 1996, 6, 449.

10.26434/chemrxiv-2024-p10px

Posted

Sep 09, 2024

Corinna Schlosser, Wojciech Rozek, Ryan Mellor, Szymon Manka, Christopher Morris, Steve Brocchini, Gareth Williams

A lipid-based delivery platform for pulsatile delivery of teriparatide

10.26434/chemrxiv-2024-1sxfh

Posted

Sep 09, 2024

Frederic Célerse, Veronika Juraskova, Shubhajit Das, Matthew Wodrich, Clemence Corminboeuf

Capturing Dichotomic Solvent Behavior in Solute--Solvent Reactions with Neural Network Potentials

10.26434/chemrxiv-2024-27mtm

Posted

Sep 09, 2024

Shuqing Song, Qi Liu, S. Swathilakshmi, Heng-Yu Chi, Zongyao Zhou, Ranadip Goswami, Dmitry Chernyshov, Kumar Varoon Agrawal

High-performance H2/CO2 separation from 4-nm-thick oriented Zn2(benzimidazole)4 film

10.26434/chemrxiv-2024-114w6

Posted

Sep 09, 2024

Heng-Yu Chi, Kangning Zhao, Kuang-Jung Hsu, Qi Liu, Shuqing Song, Arthur Allaire, Kumar Varoon Agrawal

Non-van-der-Waals oriented two-dimensional UiO-66 films by rap-id aqueous synthesis at room temperature

10.26434/chemrxiv-2024-s4qxg

Posted

Sep 09, 2024

Conor O'Neill, Jonathan Fascetti, Zoe Clapacs, Lauren Kaplita, Chih-Yun Liu, Darren Kim, Mark White, Jai Rudra

Modulating Peptide Self-Assembly via Triblock Chiral Patterning

10.26434/chemrxiv-2024-nrpgz

Posted

Sep 09, 2024

Shuting Chen, Melissa Hexter, Andrei Sabac, Stephane Marinesco

Brain tissue oxygen pressure monitoring using polyphenylenediamine-polyurethane-coated carbon fiber microelectrodes

10.26434/chemrxiv-2024-qg6wm

Posted

Sep 09, 2024

Ezra Kone, Sarah Nasri, Grace Parker, Victor Desyatkin, William Martin, John Trant, Valentin Rodionov

Replication of Mechanochemical Syntheses of γ-Graphyne from Calcium Carbide Fails to Produce the Claimed Product

10.26434/chemrxiv-2024-czfvj

Posted

Sep 09, 2024

Y. Stanley Tan, Mayukh Chakrabarti, Reed M Stein, Lauren E Prentis, Robert C Rizzo, Tom Kurtzman, Marcus Fischer, Trent E Balius

Development of receptor desolvation scoring and covalent sampling in DOCK 6: methods evaluated on a RAS test set

10.26434/chemrxiv-2024-5xv8x

Posted

Sep 09, 2024

Robert Fraczkiewicz, Marvin Waldman

Modeling Carbon Basicity

10.26434/chemrxiv-2024-0hnnl

Posted

Sep 09, 2024

Niko Vlahakis, Songrong Qu, Logan Richards, Lygia Silva deMoraes, Duilio Cascio, Hosea Nelson, Jose Rodriguez

Fast event-based electron counting for small molecule structure determination by MicroED

10.26434/chemrxiv-2024-p24xf

Posted

Sep 09, 2024

Newayemedhin Tegegne, Leonato Nchinda, Tjaart Krüger

Progress Towards Stable Organic Solar Cells

10.26434/chemrxiv-2024-snzf8

Posted

Sep 09, 2024

Kazuya Inagaki, Yuna Onozawa, Yuki Fukuhara, Daisuke Yokogawa, Kei Muto, Junichiro Yamaguchi

Facile Generation of ortho-Quinodimethanes Toward Polycy-clic Compounds

10.26434/chemrxiv-2024-dnf75

Posted

Sep 09, 2024

Naoyuki Nishimura, Ryuzi Katoh, Hiroyuki Kanda, Takurou N. Murakami

Spontaneous Chemical Capping with Bis(trifluoromethanesulfonyl)imide-Based Additive for Photoabsorbers in Perovskite Solar Cells

10.26434/chemrxiv-2024-jlg7m

Posted

Sep 09, 2024

Dipam Manish Patel, Gyeong Hwang

On the Origin of Superior Hydrogen Evolution Activity on Composite Ni/Ni3S2 Catalysts: A First Principles Investigation

10.26434/chemrxiv-2024-rhf99

Posted

Sep 09, 2024

Paulina Kret, Przemysław Mielczarek, Giuseppe Grasso, Piotr Suder, Anna Bodzoń-Kułakowska

Different ion maps for the same substance? Glucose analysis by MS Imaging with betaine aldehyde derivatization and NEDC matrix.

10.26434/chemrxiv-2024-r6k72

Posted

Sep 09, 2024

Amith Kamble, Dhruv Pahwa, Pravindra kumar

Role of metal coordinated auxiliary residues in catalysis: A structural and mechanistic study.

10.26434/chemrxiv-2024-cnp4g

Posted

Sep 09, 2024

Ujjala Dey, Arun Chattopadhyay

Multilayer Molecular Moiré Superlattices of para Phenylene Diamine Exhibit Angle-dependent and pH Controlled High Interfacial Electrical Conductivity Through Tunneling

10.26434/chemrxiv-2024-f9pf4

Posted

Sep 09, 2024

Diana Gimenez, Martin Walko, Jennifer Miles, Megan Wright, Richard Bayliss, Wilson Andrew

Constrained TACC3 peptidomimetics for a non-canonical protein-protein interface elucidate allosteric communication in Aurora-A Kinase

10.26434/chemrxiv-2024-299w9

Posted

Sep 09, 2024

Amol Tagad, G Naresh Patwari

Molecular Association and Reactivity of the Pyridine Dimer Cation

10.26434/chemrxiv-2024-f5kkq-v2

Posted

Sep 09, 2024

Kimberly MacVaugh, Rachel Olsen

Teaching Information Literacy: Reflecting on Research in the Age of AI

Posted

Sep 09, 2024

10.33774/apsa-2024-18xnc

Nina Tarnowicz-Staniak, Mateusz Staniak, Marta Dudek, Marek Grzelczak, Katarzyna Matczyszyn

Gold Nanorods Grant an ON-OFF Control over the Kinetics of the Z-E Isomerization of Azobenzene-Based Photoswitch via Thermoplasmonic Effect

10.26434/chemrxiv-2024-vnj32-v2

Posted

Sep 09, 2024

ByungUk Park, Reid Van Lehn

Mechanistic and thermodynamic characterization of dynamic topology in an unassembled transmembrane protein

10.26434/chemrxiv-2024-bpgtt

Posted

Sep 10, 2024

Juran Noh, Heather Job, Hieu Doan, Kee Sung Han, Lily Robertson, Lu Zhang, Rajeev Surendran Assary, Karl Mueller, Vijayakumar Murugesan, Yangang Liang

Strategic Electrolyte Design to Address Solubility Competition between Redox-Active Molecules and Supporting Salts

10.26434/chemrxiv-2024-4bgnd

Posted

Sep 10, 2024

Hamish W. A. Swanson, Kenny Barriales, Emmet A. Sherman, Tai-De Li, Alan R. Kennedy, Tell Tuttle, Rein V. Ulijn, King Hang Aaron Lau

2D Interfacial Crystallization Stabilized by Short-Chain Aliphatic Interfaces

10.26434/chemrxiv-2024-p305k

Posted

Sep 10, 2024

Joseph Treacy, James Tilden, Elaine Chao, Zihuan Fu, Alexander Spokoyny, Kendall Houk, Heather Maynard

In Silico Screening of P,N-Ligands Facilitates Optimization of Au(III)-Mediated S-Arylation

10.26434/chemrxiv-2024-x1824

Posted

Sep 10, 2024

Christopher Jurich, Qianzhen Shao, Xinchun Ran, Zhongyue Yang

Physics-based Modeling in the New Era of Enzyme Engineering

10.26434/chemrxiv-2024-0z1gn

Posted

Sep 10, 2024

Monika Rana, Karna Terpstra, Citlali Gutierrez, Kerui Xu, Hemant Arya, Tarun K Bhatt, Liviu M Mirica, Anuj Kumar Sharma

Evaluation of Anti-Alzheimer’s Potential of Azo-Stilbene-Thioflavin-T derived Multifunctional Molecules: Synthesis, Metal and Abeta Species Binding and Cholinesterase Activity

10.26434/chemrxiv-2024-7357m

Posted

Sep 10, 2024

Exploring the Potential of Natural Orbital Functionals: A Perspective

Mario Piris

10.26434/chemrxiv-2024-qhg51

Posted

Sep 10, 2024

Giuseppe Mattioli, Leonardo Guidoni

Multiple Reaction Pathways for Oxygen Evolution as Key Factor for the Catalytic Activity of Nickel-Iron (Oxy)Hydroxides

10.26434/chemrxiv-2024-l65kd

Posted

Sep 10, 2024

Katarzyna Walczewska-Szewc, Beata Niklas, Wieslaw Nowak

viAFM - a Python toolset for virtual Atomic Force Microscopy

10.26434/chemrxiv-2024-0h32j

Posted

Sep 10, 2024

Colette Sullivan, Adrienn Szucs, Andrew Cantrell, Katherine Shulenberger, Theo Siegrist, Lea Nienhaus

Which Flavor of 9,10-Bis(phenylethynyl)anthracene is Best for Perovskite-Sensitized Triplet-Triplet Annihilation?

10.26434/chemrxiv-2024-65rbb-v2

Posted

Sep 10, 2024

Agustín Robles-Remacho, Ismael Martos-Jamai, Mavys Tabraue-Chávez, Araceli Aguilar-González, Jose Antonio Laz-Ruiz, Victoria Cano-Cortés, Francisco Javier López-Delgado, Juan Jose Guardia-Monteagudo, Salvatore Pernagallo, Juan Jose Diaz-Mochon, Rosario Maria Sanchez-Martin

Click Chemistry-Driven Dual Nanosystem for miR-122 Detection with Single-Base Specificity from Tumour Cells

10.26434/chemrxiv-2024-9dfbl

Posted

Sep 10, 2024

Onno Strolka, Pascal Rauthe, Tim Muschik, Philipp Frech, André Niebur, Andreas-Neil Unterreiner, Jannika Lauth

Continuous Tuning of Intersystem Crossing Times in Rose Bengal Water/Methanol Solutions

10.26434/chemrxiv-2024-5pspg

Posted

Sep 10, 2024

Tianjun Lu, Sun-Young Kim, Julian Marshall

High-resolution geospatial database: national criteria-air-pollutant concentrations in the contiguous U.S., 2016 – 2020

10.26434/chemrxiv-2024-zg5f1

Posted

Sep 10, 2024

Sai Rohini Narayanan Kolusu, Irene Sánchez-Sordo, Carla Aira-Rodríguez, Emanuele Azzi, Manuel Nappi

Deoxygenative Z-selective olefination of aliphatic alcohols

10.26434/chemrxiv-2024-cch7s

Posted

Sep 10, 2024

Sylvester Zhang, Peter McBreen, Chao-Jun Li, Rustam Khaliullin

Computational Design of Gallium Imides for Methane Activation

10.26434/chemrxiv-2024-8hv7c

Posted

Sep 10, 2024

Christoph Schmidleitner, Matthias Udo Kriehuber, Sandra Schlögl, Elisabeth Rossegger

Frontal Polymerization of Covalent Adaptable Networks

10.26434/chemrxiv-2024-k4vjd

Posted

Sep 10, 2024

Sk Amanullah, Weicheng Cao, Enzo Brack, Milivoj Plodinec, Christophe Copéret

Surface Coordination Chemistry of Graphitic Carbon Nitride from Ag Molecular Probes

10.26434/chemrxiv-2024-kmvvw

Posted

Sep 10, 2024

Claire Bushey, Diego Javier-Jimenez, Matthew Reuter, Rory Waterman

Grignard Reagents as Simple Preatalysts for the Dehydrocoupling of Amines and Silanes

10.26434/chemrxiv-2024-nq72z-v2

Posted

Sep 10, 2024

Jiarui Yang, Wen-hao Li, Dingsheng Wang, Yadong Li

Organo-electrocatalyst realizing efficient hydrogen production

10.26434/chemrxiv-2024-v4c39-v2

Posted

Sep 10, 2024

Md Moniruzzaman, Andresa Bezerra, Md Mohibullah, Robert Judd, James Granneman, Christopher Easley

Dynamic sampling from ex vivo adipose tissue using droplet-based microfluidics supports separate mechanisms for glycerol and fatty acid secretion

10.26434/chemrxiv-2024-c6k5t-v2

Posted

Sep 10, 2024

Elham Fazelpour, Jennifer Haseleu, Christopher Fennell

Residue interactions guide translational diffusion of proteins

10.26434/chemrxiv-2024-ngfvp

Posted

Sep 10, 2024

Akhil Venugopal, Subhadip Ghosh, Annalisa Calo, Gian Marco Tuveri, Zhendong Xie, Giuseppe Battaglia, Mohit Kumar

Fuel-Driven Phospholipid Vesicles with Temporal Control for Regulated Cargo Release

10.26434/chemrxiv-2024-k87wm

Posted

Sep 10, 2024

Jun-Jie Wang, Xing-Yuan Zhang, Qianyi Liu, Jun Wen, Rong Zhu

Self-Strengthening Tough Elastomers Enabled by Dynamic Bottlebrush Mechanophores

10.26434/chemrxiv-2024-w9fqr

Posted

Sep 10, 2024

A Study of PhD Programs in Political Science, and the Future of Political Theory

Matthew Stein

Posted

Sep 10, 2024

10.33774/apsa-2024-j4fkf

Clayton Webb, Danielle Lupton

Confronting the New Gatekeepers of Experimental Political Science

Posted

Sep 10, 2024

10.33774/apsa-2024-7wq88

Claudia Robbiati, Antsa Miarisoa Andriamandroso, Heidi Auerswald, Natalia Cediel Becerra, Maria Grazia Dente, Nguyen Thi Dien, Julie Garnier, Monica Berger González, Tamara Riley, Kim Laura Weiszhar, Andrea Sylvia Winkler, Robyn Alders

Diversity, equity and inclusion in One Health could crucially support prevention of health threats, but a change in mindset is needed

10.33774/coe-2024-4zf5g-v3

Posted

Sep 11, 2024

Zachariah Lockhart, Mihai Popescu, Juan Alegre-Requena, Jay Ahuja, Robert Paton, Martin Smith, Shaokang Chai

A radical-polar crossover approach to complex nitrogen heterocycles via the triplet state

10.26434/chemrxiv-2023-pcv6m-v2

Posted

Sep 11, 2024

Maria L. Adrover-Castellano, Brian J. Curtis, Jennifer J. Schmidt, Carolyn A. Glasser, Damilola E. Olukorede, Fengrui Qu, David H. Sherman

Directed Evolution of a Modular Polyketide Synthase Thioesterase for Generation of a Hybrid Macrocyclic Ring System

10.26434/chemrxiv-2024-02cj6-v2

Posted

Sep 11, 2024

Pablo A. Leon, Avni Singhal, Jurgis Ruza, Jeremiah Johnson, Yang Shao-Horn, Rafael Gomez-Bombarelli

End-To-End Learning of Classical Interatomic Potentials for Benchmarking Anion Polarization Effects in Lithium Polymer Electrolytes

10.26434/chemrxiv-2024-8r8j1-v2

Posted

Sep 11, 2024

Yukari Yamazaki, Xiongjie Jin, Weihan Sun, Katsutoshi Nomoto, Kohei Takahashi, Hiroki Miura, Tetsuya Shishido, Akira Nakayama, Kyoko Nozaki

Bimetallic Synergy in Ru−Pt Alloy Catalyst for Polyethylene Hydrogenolysis

10.26434/chemrxiv-2024-sm1lp

Posted

Sep 11, 2024

Yu-Syuan Tsai, Yu-Wei Chen, Charasee Laddika Dayawansa, Hsuan Chang, Wen-Ching Chen, Jiun-Shian Shen, Tiow-Gan Ong, Glenn P. A. Yap, Vincent C.-C. Wang

Mechanistic Investigations of a Hydrogen-Evolving Cobalt Diimine-Dioxime Complex in an Oxygen Environment: Roles of Secondary Coordination Sphere, Brønsted Acid, and Axial Ligand

10.26434/chemrxiv-2024-0s03g

Posted

Sep 11, 2024

Anna Janaszewska, Monika Marcinkowska, Piotr Tarach, Julia Debicka, Barbara Klajnert-Maculewicz, Jørn Bolstad Christensen

Transfection of Macrophages with PAMAM-Pyrrolidone Dendrimers Complexed with Cu(II)- or Zn(II)- ions as Carriers of Genetic Material.

10.26434/chemrxiv-2024-ltgwp

Posted

Sep 11, 2024

Excited-State Reaction Dynamics of the Radical Anions Revealed by the Novel Time-Resolved Photofragment Depletion Spectroscopy

Sejun An, Sang Kyu Kim

10.26434/chemrxiv-2024-xdp9p

Posted

Sep 11, 2024

Fredrik G. Rylandsholm, Philip Rainsford, Monika Krupova, Tone Kristoffersen, Tonje Haugen, Bjørn Olav Brandsdal, John Sigurd Svendsen, Johan Isaksson

Structural analysis of four cyclic antimicrobial hexapeptides in aqueous solution and in micelles, towards membrane-mimicking nanodiscs

10.26434/chemrxiv-2024-fvvlt

Posted

Sep 11, 2024

Paru Jamwal, Yumnam Nganthoinganbi, Ming-Kang Tsai, Ramani Gurubrahamam

Electrophilic Halogenation of Allenoates and 3-Alkynoates: Syn-thesis of 1,4-Dicarbonyl 3-(E)-Haloalkenes and Mechanistic Investigations

10.26434/chemrxiv-2024-wmscl

Posted

Sep 11, 2024

Alejandro Blanco-Gonzalez, William Betancourt, Ryan Snyder, Shi Zhang, Timothy J. Giese, Andreas W. Goetz, Kenneth M. Merz, Jr., Darrin M. York, Hasan Metin Aktulga, Madushanka Manathunga

Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization

10.26434/chemrxiv-2024-lcnx1

Posted

Sep 11, 2024

Teemu Tomberg, Ilona Hämäläinen, Clare Strachan, Bert van Veen

Dynamic phase behavior of amorphous solid dispersions revealed with in situ stimulated Raman scattering microscopy

10.26434/chemrxiv-2024-btp37

Posted

Sep 11, 2024

Han-Xiao Li, Zeyuan Shen, Jiguo Ma, Zhi-Xiang Yu

Rh-Catalyzed trans-Divinylcyclopropane Rearrangement: A Convenient Approach to 1,5-Disubstituted 1,4-Cycloheptadienes

10.26434/chemrxiv-2024-mn5bk

Posted

Sep 11, 2024

Nikolay V. Tkachenko, Linus Bjarne Dittmer, Rebecca Tomann, Martin Head-Gordon

Smooth dispersion is physically appropriate: Assessing and amending the D4 dispersion model

10.26434/chemrxiv-2024-31x2z

Posted

Sep 11, 2024

Ashwin Chaturvedi, Pramod Tiwari, Soumalya Sinha, Jianbing Jiang

Unraveling the Mechanistic Insights of Electrochemical PFAS Substrate Degradation

10.26434/chemrxiv-2024-t91vx

Posted

Sep 11, 2024

Pramod Tiwari, Soumalya Sinha, Jianbing Jiang

Heterogenous Perfluorooctanoic Acid Degradation with Molecular Copper Electrocatalyst

10.26434/chemrxiv-2024-m4ld8

Posted

Sep 11, 2024

Psychiatry

The Pink Flags of Sleep: How sleep-wake cycle awareness can create an opportunity for early intervention

Carla Gorban

Posted

Sep 11, 2024

10.33774/coe-2024-1zs1l

Kevin Whitham, Jisook Hong, Liang Tan, Brett Helms

Intercalation Phenomena in Two-Dimensional Hybrid Perovskites Featuring Discrete Free Volume Elements

10.26434/chemrxiv-2024-zgg6v

Posted

Sep 11, 2024

Amelia Carolina Sparavigna

q-Gaussian and q-BWF functions for the deconvolution of Raman and infrared spectra of Calcite

10.26434/chemrxiv-2024-nsmch

Posted

Sep 11, 2024

S. Alexandra Lim, Mary Zick, Jaehwan Kim, Benjamin Rhodes, Tristan Pitt, Ronald Jerozal, Alexander Forse, Phillip Milner

Carbon Capture from Natural Gas Flue Emissions and Air via (Bi)Carbonate Formation in a Cyclodextrin-Based Metal-Organic Framework

10.26434/chemrxiv-2024-14jdg

Posted

Sep 11, 2024

Robert Epps, Amanda Volk, Robert White, Robert Tirawat, Rosemary Bramante, Joseph Berry

Universal Workflow Language and Software Enables Geometric Learning and FAIR Scientific Protocol Reporting

10.26434/chemrxiv-2024-l2q53

Posted

Sep 11, 2024

Pavlo Barun, Anastasiia Hoida, Illia Borbat, Bohdan Vashchenko

Expanding the Chemical Space: Functionalized Ethynyl Oxazoles as Versatile Reagents for the Click Chemistry

10.26434/chemrxiv-2024-7spxf-v2

Posted

Sep 11, 2024

Matthew Margeson, Mark Atwood, Mita Dasog

Turning Trash to Treasure: The Influence of Carbon Waste Source on the Photothermal Behaviour of Plasmonic Titanium Carbide Interfaces

10.26434/chemrxiv-2024-3l5n4

Posted

Sep 11, 2024

Gaoyuan Zhao, Arman Khosravi, Sahil Sharma, Djamaladdin Musaev, Ming-Yu Ngai

Cobalt-Hydride Catalyzed Alkene-Carboxylate Transposition (ACT) of Allyl Carboxylates via 1,2-Radical Migration (RaM)

10.26434/chemrxiv-2024-glz1z

Posted

Sep 11, 2024

Josh Cruddos, James Robinson, Paul Shearing, Alexander Rettie

Toward zero-excess lithium sulfur batteries: a systematic coin cell parameter study

10.26434/chemrxiv-2024-lgs43

Posted

Sep 11, 2024

Li Chen, Leonardo Rafael Medrano Sandonas, Philipp Traber, Arezoo Dianat, Nina Tverdokhleb, Mattan Hurevich, Shlomo Yitzchaik, Rafael Gutierrez, Alexander Croy, Gianaurelio Cuniberti

MORE-Q, Dataset for molecular olfactorial receptor engineering by quantum mechanics

10.26434/chemrxiv-2024-zvt26

Posted

Sep 11, 2024

Muhammad Zulhelmi Nazri, Norliza Abdul Latiff, Siti Nor Azlina Abd Rashid, Salimah Ab Malik, Hajar Aminah A. Karim, Muhamad Shirwan Abdullah Sani, Dayang Norulfairuz Abang Zaidel, Norazah Basar

The FTIR-ATR Spectroscopy and Multivariate Data Analysis (MVDA) for Halal Authentication on Animal Fatty Acids

10.26434/chemrxiv-2024-g0mdn

Posted

Sep 12, 2024

Subhra R. Pattanayak, Pallavi Thakur, Tharangattu N. Narayanan

The oxygen paradox in alkaline zinc-air battery via the competition of an unidentified anodic chemical reduction with cathodic kinetics

10.26434/chemrxiv-2024-2rxlx

Posted

Sep 12, 2024

Whitney Loo, Hongbo Feng, Beihang Yu, Scott Dhuey, Ricardo Ruiz, Paul Nealey

Self-Brushing Block Copolymers for Defect Self-Healing in Directed Self-Assembly

10.26434/chemrxiv-2024-vpvtp

Posted

Sep 12, 2024

Leandro Bernardo, Leandro Vieira, Caio Borges, Pedro Buitrago, Kamil Kuča, Tanos França, Samir Cavalcante, Roberto Sousa, Antonio Lima, Daniel Kitagawa

In silico studies and in vitro evaluation of isatin-pyridine oximes hybrids as novel reactivators of acetylcholinesterase inhibited by an A-230 surrogate

10.26434/chemrxiv-2024-115r1

Posted

Sep 12, 2024

Benjamin Ries, Richard J Gowers, James RB Eastwood, Irfan Alibay, Hannah M Baumann, David WH Swenson, Michael M Henry, David Mobley

Konnektor: A framework for using graph theory to plan networks for free energy calculations

10.26434/chemrxiv-2024-wjqsq

Posted

Sep 12, 2024

Dylan Snelson, Stephen Ting, Ryan Shenvi

Contrasteric glycosylations of cotylenol and 1,2-diols by virtual linker selection

10.26434/chemrxiv-2024-j7c15

Posted

Sep 12, 2024

Rebecca Katzy, Renier van Neer, Maria Ferraz, Kim Nicolai, Toby Passioura, Hiroaki Suga, Seino Jongkees, Marta Artola

Development of Selective Nanomolar Cyclic Peptide Ligands as GBA1 Enzyme Stabilisers

10.26434/chemrxiv-2024-hfk3c

Posted

Sep 12, 2024

Johannes Westphäling, Hanna Lee, Mu-Hyun Baik

Electro-Inductive Effects Are Additive

10.26434/chemrxiv-2024-hfc4x

Posted

Sep 12, 2024

Md. Moshiur Rahman Tushar, Zaki Alam Pushan, Nirupam Aich, Lewis Rowles

Balancing Act: Environmental, Social, and Economic Impacts of PFAS Removal from Water

10.26434/chemrxiv-2024-ds733

Posted

Sep 12, 2024

Ricardo Mathison, Rasha Atwi, Hannah B. McConnell, Emilio Ochoa, Elina Rani, Toshihiro Akashige, Jason A. Röhr, André D. Taylor, Claudia E. Avalos, Eray S. Aydil, Nav Nidhi Rajput, Miguel A. Modestino

Molecular Processes that Control Adiponitrile Electrosynthesis in Near-Electrode Microenvironments

10.26434/chemrxiv-2024-sdzs1

Posted

Sep 12, 2024

Pamburayi Mpofu, Houyem Hafdi, Jonas Lauridsen, Oscar Alm, Tommy Larsson, Henrik Pedersen

A Mass Spectrometrical Surface Chemistry Study of Aluminum Nitride ALD from Tris-Dimethylamido Aluminum and Ammonia

10.26434/chemrxiv-2024-f4c4k

Posted

Sep 12, 2024

Andrés Rodríguez-Camargo, Maxwell W. Terban, Martina Paetsch, Elio A. Rico, Radhika Hirpara, Viola Duppel, Igor Moudrakovski, Martin Etter, Néstor Guijarro, Robert E. Dinnebier, Liang Yao, Bettina V. Lotsch

Cyclopalladation of a Covalent Organic Framework for Near-Infrared Light-Driven Photocatalytic Hydrogen Peroxide Production

10.26434/chemrxiv-2024-9m6nj

Posted

Sep 12, 2024

Hirofumi Kurokawa, Saori Maki-Yonekura, Kiyofumi Takaba, Toshiki Higashino, Satoru Inoue, Tatsuo Hasegawa, Koji Yonekura

3D Electron Diffraction Structure of an Organic Semiconductor Reveals Conformational Polymorphism

10.26434/chemrxiv-2024-pslhg

Posted

Sep 12, 2024

Christian Ehinger, Christophe Copéret

Reversible Grafting in Surface Organometallic Chemistry with a Late Transition-Metal Amidinate Precursor

10.26434/chemrxiv-2024-jnbgl

Posted

Sep 12, 2024

Clorice Reinhardt, Juliet Lee, Lauren Hendricks, Tierani Green, Lily Kunczynski, August Jaunzarins Roberts, Naomi Miller, Noga Rafalin, Heather Kulik, Christopher Pollock, Rachel Narehood Austin

No Bridge Between Us: Two Distant Iron Ions Comprise the Active Site of Alkane Monooxygenase (AlkB)

10.26434/chemrxiv-2024-301wv

Posted

Sep 12, 2024

Bjarne Silkenath, Dennis Kläge, Philip Eppelin, Jörg S. Hartig, Valentin Wittmann

A Diverse Library of 5a-Substituted Carba-Glucosamines

10.26434/chemrxiv-2024-tw00g

Posted

Sep 12, 2024

Bianca L. Hansen, Verena Markmann, Mátyás Pápai, Philipp Lenzen, Morten Lunn Haubro, Antal Mikeházi, Zoltán Németh, Andor Vancza, Matteo Levantino, Serhane Zerdane, Diana Bregenholt Zederkof, Dmitry Khakhulin, Asmus Ougaard Dohn, Martin Meedom Nielsen, Kristoffer Haldrup, György Vankó

Excited-state structural characterisation of a series of nanosecond-lived [Fe(terpy)2]2+ derivatives using X-ray Solution Scattering

10.26434/chemrxiv-2024-wxt4z

Posted

Sep 12, 2024

Ayan Maity, Asya Svirinovsky Arbeli, Yehuda Buganim, Chen Oppenheim, Michal Leskes

Tracking Dendrites and Solid Electrolyte Interphase Formation with Dynamic Nuclear Polarization - NMR Spectroscopy

10.26434/chemrxiv-2024-jwkc5

Posted

Sep 12, 2024

Eshaan S. Patheria, Pedro Guzman, Leah S. Soldner, Michelle D. Qian, Colin T. Morrell, Seong Shik Kim, Kyle Hunady, Elena R. Priesen Reis, Nicholas V. Dulock, James R. Neilson, Johanna Nelson Weker, Brent Fultz, Kimberly A. See

A High Energy Density Li-ion Battery Cathode Using Only Industrial Elements

10.26434/chemrxiv-2024-vvwn4

Posted

Sep 12, 2024

Carmen Al Masri, Jonah Vilseck, Jin Yu, Ryan Hayes

Multisite λ Dynamics for Protein-DNA Binding Affinity Prediction

10.26434/chemrxiv-2024-g2ccb

Posted

Sep 12, 2024

Katharina Sophie Erlitz, Ann-Kathrin Prinz, Stefan Wagner, Joana Massa, Calvin Dunker, Meike Höhl, Angelika Griep, Róisín M. McManus, Sonja Schelhaas, Oliver Koch, Anna Junker

Naphtho[1,2-b][1,4]diazepinedione-based P2X4 Receptor Antagonists from Structure-Activity Relationships Study Towards PET Tracer Development

10.26434/chemrxiv-2024-xpq3n

Posted

Sep 12, 2024

Aroosha Faheem, Mason C. Lawrence, Gazi A. Bushra, Barry Blight

Metal-Organic Frameworks as Anchors for Giant Unilamellar Vesicle Immobilization

10.26434/chemrxiv-2024-b6d4w

Posted

Sep 12, 2024

High Dimensional and Complex Spectrometric Data Analysis of an Organic Compound using Large Multimodal Models and Chained Outputs

Kevin Kawchak

10.26434/chemrxiv-2024-06gf1

Posted

Sep 12, 2024

Patrick Giesbrecht, Michael Freund

Influence of the pH Gradient on Bipolar Membrane Operation

10.26434/chemrxiv-2024-wfxrr

Posted

Sep 12, 2024

Colette Sullivan, Adrienn Szucs, Theo Siegrist, Lea Nienhaus

Naphtho[2,3-a]pyrene Thin Films – H,I, or J? Aggregate Alphabet Soup

10.26434/chemrxiv-2024-rqzh9

Posted

Sep 12, 2024

Matthew Kessinger, Thomas Whittemore, Silvia Grandi, Evgeny Danilov, Stefano Caramori, Felix Castellano, Gerald Meyer

Direct Evidence for Buffer-Enhanced Proton-Coupled Electron Transfer in Metal Aquo Bond Formation

10.26434/chemrxiv-2024-l776x

Posted

Sep 13, 2024

Juan F. Avellaneda-Tamayo, Naicolette A. Agudo-Muñoz, Javier E. Sánchez-Galán, José Luis López-Pérez, José L. Medina-Franco

Chemoinformatic characterization of NAPROC-13: A database for natural product 13C NMR dereplication

10.26434/chemrxiv-2024-spksf-v2

Posted

Sep 13, 2024

Gopal Muddasani, Naveen Kumar Rampeesa, Sreenivasareddy Anugu, Pullareddy Muddasani, Soňa Gurská, Petr Džubák, Marián Hajdúch, Viswanath Das, Rambabu Gundla

Design, synthesis, and biological evaluation of novel azaspirooxindolinone derivatives as potent inhibitors of ITK and BTK-positive cancers

10.26434/chemrxiv-2024-hrfmw-v2

Posted

Sep 13, 2024

Carlos Triana, Greta Patzke, Florian Keller, Marcella Iannuzzi, Lukas Reith, Kenneth Marshall, Wouter van Beek

Structure-selection dynamics of cobalt nanoparticles from solution synthesis and their impact on the catalytic functionality

10.26434/chemrxiv-2024-q51c9

Posted

Sep 13, 2024

Naveen Kumar Rampeesa, Rambabu Gundla, Gopal Muddasani, Sudhakar Tangallapally, Sreenivasa Anugu, Soňa Gurská, Juan Bautista De Sanctis, Petr Džubák, Marián Hajdúch, Viswanath Das

Novel Azaspirooxindolinone-Based PROTACs for Selective BTK Degradation and Enhanced Anticancer Activity

10.26434/chemrxiv-2024-pxdtn-v2

Posted

Sep 13, 2024

Colin Hansen, Wei Zhou, Enzo Brack, Yuhao Wang, Chunliang Wang, James Paterson, Jamie Southouse, Christophe Copéret

Decoding the Promotional Effect of Iron in Bimetallic Pt-Fe-Nanoparticles for the Low Temperature Reverse Water-Gas Shift Reaction

10.26434/chemrxiv-2024-hzlgd-v2

Posted

Sep 13, 2024

Quentin Stern, Guillaume Verhaeghe, Théo El Daraï, Damien Montarnal, Nghia Huu Le, Laurent Veyre, Chloé Thieuleux, Charlotte Bocquelet, Olivier Cala, Sami Jannin

Dynamic Nuclear Polarization with Conductive Polymers

10.26434/chemrxiv-2024-q6dkh-v2

Posted

Sep 13, 2024

Neil Razdan, Karl Westendorff, Yogesh Surendranath

Wireless potentiometry of thermochemical heterogeneous catalysis

10.26434/chemrxiv-2024-vm26z-v2

Posted

Sep 13, 2024

Nathan O'Brien, Henrik Pedersen

Triazenide based metal precursors for vapour deposition

10.26434/chemrxiv-2024-ncqtl

Posted

Sep 13, 2024

Priya Saha, Mingoo Jin, Dennis Chung-Yang Huang

Defluorinative C−O Coupling between Trifluoromethylarenes and Alcohols via Copper Photoredox Catalysis

10.26434/chemrxiv-2024-rbs2q

Posted

Sep 13, 2024

Lucille Weiss, Dominique Bonnet, Dmytro Dziuba, Julie Karpenko

Single-Cell Analysis of Perturbations in the Bacterial Cell Envelope Enabled by Monitoring Generalized Polarization of a Nile Red-Based Solvatochromic Peptide UNR-1

10.26434/chemrxiv-2024-t8x5w

Posted

Sep 13, 2024

Daniel Chu, David Gonzalez-Narvaez, Ralf Meyer, Aditya Nandy, Heather Kulik

Ligand Many-Body Expansion as a General Approach for Accelerating Transition Metal Complex Discovery

10.26434/chemrxiv-2024-m39d9

Posted

Sep 13, 2024

Philipp J. Welscher, Daniel Straub, Florian Stuempges, A. Lennart Respondek, Birgit Esser, Alexander J. C. Kuehne

Electron Donor-Functionalized Pyrenes with Amplified Spontaneous Emission for Violet-Blue Electroluminescent Devices Beyond the Spin Statistical Limit

10.26434/chemrxiv-2024-38nsp

Posted

Sep 13, 2024

Shuchen Wang, Anna Constantinou, Guanglei Zhang, Yihuai Zhang, Mohammad Javad Shojaei, Bo Zhou, Davey Jones, Tiina Roose, Martin Blunt, Theoni Georgiou, Iain Dunlop

A nanoparticle contrast agent enables dynamic microscale X-ray computed tomography imaging of the soil aqueous phase

10.26434/chemrxiv-2024-cjnmw

Posted

Sep 13, 2024

Manuel Imperato, Alessio Nicolini, Matteo Boniburini, Silvia Gómez-Coca, Eliseo Ruiz, Fabio Santanni, Lorenzo Sorace, Andrea Cornia

Phase-dependent polymerization isomerism in the coordination complexes of a flexible bis(β-diketonato) ligand

10.26434/chemrxiv-2024-hghfg

Posted

Sep 13, 2024

Huy Vu Duc Nguyen, Angus C. L. A. Crampton, Daniel F Schmidt, Tim Huber

Evaluating ultra-fine friction grinding for the continuous production of nanofibrillated cellulose

10.26434/chemrxiv-2024-kh8dv

Posted

Sep 13, 2024

Leoni-Franziska Klingelhöfer, Joakim Kattelus, Emma Verkama, Jorge Velasco, Leonhard Iser, Marcus Rose, Reetta Karinen, Riikka Puurunen

Catalytic hydrodenitrogenation of primary, secondary, and tertiary C12-alkyl amines over a platinum on zirconia catalyst

10.26434/chemrxiv-2024-z1kc3

Posted

Sep 13, 2024

Prahallad Meher, M. Siva Prasad, Karan Ramdas Thombare, Sandip Murarka

Copper-Photoredox-Catalyzed Divergent Strategy for the Site-selective Arylation and Alkylation of Glycines and peptides

10.26434/chemrxiv-2024-hf343

Posted

Sep 13, 2024

Sotirios Pavlidis, Jasmin Alasadi, Amanda Opis-Basilio, Josh Abbenseth

Two-fold proton coupled electron transfer of a Ta(V) aniline complex mediated by a redox active NNN pincer ligand

10.26434/chemrxiv-2024-5rjl7

Posted

Sep 13, 2024

Exploring Flavone Reactivity: A Quantum Mechanical Study and TDDFT Benchmark on UV-Vis Spectroscopy

MANJEET BHATIA

10.26434/chemrxiv-2024-xsnqj

Posted

Sep 13, 2024

Sokna Bazzi, Ameni Hadj Mohamed, Dmytro Ryzhakov, Juba Ghouilem, Mehdi A. Beniddir, Vincent Gandon, Samir MESSAOUDI

Diastereoselective Anomeric C(sp3)-H Cyclization Towards the Design of New Generations of Cyclophane-Braced Glycopeptides

10.26434/chemrxiv-2024-zgxwt

Posted

Sep 13, 2024

Carlos A. Saavedra Salazar, Daniel Sole-Barber, Nasrin Asgari, Brendan Cullinane, Lisa-Maria Needham, Julia Rasch, Michael Reitz, Sushu Wan, Joel Yuen-Zhou, Randall Goldsmith

Single-Molecule Sensitivity in Hot Microcavities in the Unstable Regime

10.26434/chemrxiv-2024-xgtxg

Posted

Sep 13, 2024

Jun-Bo Lu, Yang-Yang Zhang, Jian-Biao Liu, Jun Li

Norm-conserving 5f-in-core Pseudopotentials and Gaussian Basis Sets Optimized for Tri- and Tetra-Valent Actinides (An = Pa-Lr)

10.26434/chemrxiv-2024-m59d9

Posted

Sep 13, 2024

Shengli Jiang, Michael Webb

Physics-Guided Neural Networks for Transferable Prediction of Polymer Properties

10.26434/chemrxiv-2024-ld2k6

Posted

Sep 13, 2024

Shivangee Jha, Kundan Singh Mehra, Pradip Kumar Mondal, Camelia Dutta, Jatish Kumar, Sentamizh Selven Ramalingam, Sankar Jeyaraman

Circularly Polarized Room Temperature Red Phosphorescence from a [9]-Heterohelicene Diimide

10.26434/chemrxiv-2024-44vd8

Posted

Sep 13, 2024

The diastereoselective synthesis of unsymmetrically 2,2"-disubstituted biferrocenesdiphosphine

Yaping Dorcas Wang

10.26434/chemrxiv-2024-hjjvc

Posted

Sep 13, 2024

Yosi Kratish, Yiqi Liu, Jiaqi Li, Anusheela Das, Leighton O. Jones, Amol Agarwal, Qing Ma, Michael J. Bedzyk, George C. Schatz, Takayuki Nakamuro, Eiichi Nakamura, Tobin J. Marks

Atomic-Resolution Cinematography of Catalytic Intermediates over a Single-Site Heterogeneous Catalyst

10.26434/chemrxiv-2024-hpbl9

Posted

Sep 13, 2024

Ralf Wanzenböck, Esther Heid, Michele Riva, Giada Franceschi, Alexander M. Imre, Jesús Carrete, Ulrike Diebold, Georg K. H. Madsen

Exploring Inhomogeneous Surfaces: Evolutionary Exploration of Ti-rich SrTiO3(110) Surface Reconstructions via Active Learning

10.26434/chemrxiv-2024-9l6jc-v3

Posted

Sep 13, 2024

Dixit V Bhalani, Qian Zhang, Yi Yang, Suresh Kumar Jewrajka, Junjie Shen

Fabrication of superhydrophilic membranes for oil-water separation: A life cycle assessment study

10.26434/chemrxiv-2024-c9w7l

Posted

Sep 13, 2024

Yevhen Zaika, Illia Borodin, Heorhii Olekh, Maksym Kovalov, Oleksandr Diachenko, Volodymyr Brovarets, Bohdan Vashchenko, Oleksandr Grygorenko

Bridged Bicyclic gamma-Sultams by Intramolecular Flow Photochemical [2+2] Cycloaddition

10.26434/chemrxiv-2024-wcxr0

Posted

Sep 13, 2024

Medicine (excluding clinical)

Luis Andrés Dulcey, Daniela Rico, Juan Theran León, Laura Esteban Badillo, Jaime Alberto Goméz, Jorge Andres Hernandez, Valentina Ochoa Castellanos, Valentina Hernandez Navas

CRITERIA OF THE DUTCH CLINIC NETWORK PRIOR TO THE APPLICATION OF GENETIC TESTING IN FAMILIAL HYPERLIPIDEMIAE IN A GROUP OF COLOMBIAN PATIENTS

Posted

Sep 13, 2024

10.33774/coe-2024-6fz6f

Tiqing Liu, Linda Hwang, Stephen K Burley, Carmen I Nitsche, Christopher Southan, W. Patrick Walters, Michael K. Gilson

BindingDB in 2024: a FAIR Knowledgebase of Protein-Small Molecule Binding Data

10.26434/chemrxiv-2024-v9ckg

Posted

Sep 13, 2024

Psychology

The Duchenne Smile: Differentiating Genuine and Fake Smiles through Facial Muscle Analysis

S M Nazmuz Sakib

Posted

Sep 13, 2024

10.33774/coe-2024-ksn69

Psychiatry

Mansoor Malik, Gary Belkin, Ravi Chandra, Patricia Gerbarg, Robin Cooper, Yassar Kanawati, Austina Cho, James Fleming, Rahn Bailey

Mental Health Burdens of the Israel-Hamas-Gaza War

Posted

Sep 13, 2024

10.33774/coe-2024-5mn6g

Literature

The Evolution of Identity in Postcolonial Literature

S. M. Sakhawat Hossain

Posted

Sep 13, 2024

10.33774/coe-2024-jvmxk

Exponential stable manifold for some linear system with application to the mean field models

Walid OUKIL

10.33774/coe-2023-c3k29-v2

Posted

Sep 13, 2024

Christian Hölzer, Rick Oerder, Stefan Grimme, Jan Hamaekers

ConfRank: Improving GFN-FF Conformer Ranking with Pairwise Training

10.26434/chemrxiv-2024-tm991

Posted

Sep 16, 2024

Klara Klemenčič, Andraž Krajnc, Andreas Puškarić, Matej Huš, Dana Marinič, Blaž Likozar, Nataša Zabukovec Logar, Matjaž Mazaj

New Frontiers of Triazolate-based MOFs: Amine-Functionalization for Enhanced Diluted CO2 Capture Performance

10.26434/chemrxiv-2024-2d1m1-v2

Posted

Sep 16, 2024

suraj Manikandan, Eswaran Jayaraman, Søren Alkærsig Jensen, Morten Madsen, Jens Wenzel Andreasen

Large-Area Bilayer Organic Solar Cells: Manipulating Interface and Morphology with Solvent Drenched Slot-Die Coating

10.26434/chemrxiv-2024-gtt6j-v2

Posted

Sep 16, 2024

Fluorescence Lifetime Imaging Microscopy (FLIM) as a Tool to Understand Chemical Reactions and Catalysis

Pia Lopez, Suzanne Blum

10.26434/chemrxiv-2024-kl8mp-v2

Posted

Sep 16, 2024

Jin-Ping Wang, Tao Liu, Yichen Wu, Peng Wang

Pd-Catalysed Migratory 1,1-Cycloannulation Reaction of Alkenes

10.26434/chemrxiv-2024-jxsfc

Posted

Sep 16, 2024

Lydia Babcock-Adams, Jingxuan Li, Amy McKenna, Christopher Hendrickson, Daniel Repeta

Detection and Structural Elucidation of Copper Binding Tri- and Tetrapyrrole Ligands Produced by the marine diatom Phaeodactylum Tricornutum

10.26434/chemrxiv-2024-4wz03

Posted

Sep 16, 2024

Yucheng Yuan, Yuhan Zhang, Jan Paul Menzel, John Santoro, Madeline Dolack, Hongyan Wang, Victor Batista, Dunwei Wang

High Conversion Propane Dehydrogenation by Photocatalysis under Ambient Conditions

10.26434/chemrxiv-2024-csjc0

Posted

Sep 16, 2024

Kevin Zemaitis, Rashmi Kumar, Marija Veličković, Dušan Veličković, Wei-Jun Qian, Ljiljana Paša-Tolić

Identification of remnant OCT media artifacts after tissue washing by MALDI mass spectrometry imaging

10.26434/chemrxiv-2024-m536q

Posted

Sep 16, 2024

Amke Nimmrich, Niranjan Govind, Munira Khalil

Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multi-edge Resonant Inelastic X-ray Scattering

10.26434/chemrxiv-2024-zf7nl

Posted

Sep 16, 2024

Barbaro Zulueta, Colin Rude, Jesse Mangiardi, George Petersson, John Keith

Zero-Point Energies from Bond Orders and Populations Relationships

10.26434/chemrxiv-2024-bzg3p

Posted

Sep 16, 2024

Colin Elliott, Denina Simmons, Theresa Stotesbury

Integrating time since deposition estimation of bloodstains into a DNA profiling workflow: A novel approach using fluorescence spectroscopy

10.26434/chemrxiv-2024-2cnk8

Posted

Sep 16, 2024

Shoichi Nishitani, Kevin Ao, Amad Jalil, Octavio I. Arias-Soto, Ava Moudi, Feiyang Chen, Ankita Biyani, Padma N. Muppirala, Markita P. Landry

Redox dye-mediated fluorescence energy transfer of carbon nanotube based nanosensors

10.26434/chemrxiv-2024-zfvb1

Posted

Sep 16, 2024

Konatsu Ichikawa, Taiki Adachi, Yuki Kitazumi, Osamu Shirai, Keisei Sowa

Quantitative Elucidation of Catalytic Reaction of Truncated Aldehyde Dehydrogenase Based on Linear Free Energy Relationship

10.26434/chemrxiv-2024-fb7hr

Posted

Sep 16, 2024

Rezvan Chitsazi, Phillip W Gingrich, James P Long, Chong Wu, Bissan Al-Lazikani

OpencanSARchem: chemistry registration and standardization pipeline for FAIR integration of bioassay data

10.26434/chemrxiv-2024-mn4wm

Posted

Sep 16, 2024

W. J. Niels Klement, Philippe Leproux, Wesley Browne, Hideaki Kano

CMOS and CCD detection in Raman spectroscopy: a comparison using spontaneous and multiplex coherent anti-Stokes Raman scattering (CARS)

10.26434/chemrxiv-2024-vqjlz

Posted

Sep 16, 2024

Krishan Kumar, Jens Uhlig, Raktim Baruah, Shivani Yadav, Maria Wächtler

Multiexciton absorption cross-sections of CdSe@CdS nanorods studied using Pump-rePump-Probe Spectroscopy

10.26434/chemrxiv-2024-xtmjk

Posted

Sep 16, 2024

Yang Ni, Jonathan Lebelt, Milena Barb, Florian Kreuter, Hannah Buttkus, Jiaye Jin, Martin Kretzschmar, Ralf Tonner-Zech, Knut Asmis, Tanja Gulder

Hexafluorophosphate-Triggered Hydrogen Isotope Exchange (HIE) in Fluorinated Environments: A Platform for the Deuteration of Aromatic Compounds via Strong Bond Activation

10.26434/chemrxiv-2024-8vf25

Posted

Sep 16, 2024

Ahmed M. Youssef, Alison B. Flynn

The language of organic chemistry: is fluency the key to success?

10.26434/chemrxiv-2024-nz3kn

Posted

Sep 16, 2024

Jessica Metherall, Philip Corner, James McCabe, Michael Probert, Michael Hall

High-Throughput Encapsulated Nanodroplet Screening for Accelerated Co-Crystal Discovery

10.26434/chemrxiv-2024-40s32

Posted

Sep 16, 2024

Amit Gilad Reiss, Xin Wang, Yuqing Ye, Amy Kan, Mason Tomson

An Experimental and Modeling Study of CaCO3 Nucleation and Inhibition Under a Dynamic Oversaturation Regime with Implications for Energy Production from Subsurface Reservoirs

10.26434/chemrxiv-2024-bhlvj

Posted

Sep 16, 2024

Wonmi Lee, Haochen Li, Diprajit Biswas, Gyohun Choi, Md Sariful Sheikh, Bu Wang, Eric Kazyak, Dawei Feng

A Cost-effect Na and K Ion-Conducting Amorphous Covalent Organic Framework with High Ion Conductivity

10.26434/chemrxiv-2024-bnclg

Posted

Sep 16, 2024

Wonmi Lee, Haochen Li, Zhilin Du, Md Sariful Sheikh, Bu Wang, Dawei Feng

Single Na and K ion-conducting sulfonated -NH- linked covalent organic frameworks

10.26434/chemrxiv-2024-41trm

Posted

Sep 16, 2024

Elias Polak, Heng Zhao, Stefan Vuckovic

Real-space machine learning of correlation density functionals

10.26434/chemrxiv-2024-zk6hp-v2

Posted

Sep 16, 2024

Psychology

MAN KA WONG, Tori R. Van Dyk

Feeding, Parental Mental Health, and Sleep: An Integrated View of Contributors to Infant Sleep Problems

Posted

Sep 16, 2024

10.33774/coe-2024-6cs3v

Physics and Astronomy

James Norman Ibbotson, Sushant Shekhar

Deciphering the Quantum Code of Life: The Crystal Electron Cloud Hypothesis.

Posted

Sep 16, 2024

10.33774/coe-2024-n9g0w

Physics and Astronomy

COEXISTENCE of ORDINARY MATTER and ENERGY and DARK ENERGY-MATTER

RITA VAYNSHTEYN

Posted

Sep 16, 2024

10.33774/coe-2024-v104s

Physics and Astronomy

Dyson--Schwinger Equations, Renormalization Conditions, and the Hopf Algebra of Perturbative Quantum Field Theory: An Advanced Mathematical and Physical Analysis

WEN-XIANG CHEN

Posted

Sep 16, 2024

10.33774/coe-2024-542pd

Computation of the Riemann Zeta Function equal to the Harmonic Series

Posted

Sep 16, 2024

10.33774/coe-2024-x9908

Computation of Analog Theorems for the Dirichlet Eta Function

Posted

Sep 16, 2024

10.33774/coe-2024-zjwvc

Computation of Analog Theorems for the Annamalai Iota Function

Posted

Sep 16, 2024

10.33774/coe-2024-q6jb1

Ronith Lahoti, Aidan Weaver, Taehoon Kim

Chitosan Nanoparticles in Oral Drug Delivery: A comprehensive and equivocal review

10.26434/chemrxiv-2024-54kfj

Posted

Sep 17, 2024

Amelia Carolina Sparavigna

q-BWF functions to deconvolute the attenuated total reflectance infrared spectra of the barite-group minerals

10.26434/chemrxiv-2024-9x1jz

Posted

Sep 17, 2024

Si Mou, Brian Timothy Hummer, Jiaqi Yuan, Yue Huang, Meina Liang, Raffaella Faggioni, Lorin K. Roskos, Anton I. Rosenbaum

Investigations of Enteric-Coated Propyl Gallate-induced Nephrotoxicity in Beagles and Human and Dog Renal Proximal Tubule Epithelial Cells

10.26434/chemrxiv-2024-t80qn

Posted

Sep 17, 2024

Arun Choolakkal, Ingemar Persson, Jarkko Etula, Emma Salmi, Taneli Juntunen, Per Persson, Jens Birch, Henrik Pedersen

Conformal Chemical Vapor Deposition of B4C Thin Films onto Carbon Nanotubes

10.26434/chemrxiv-2024-r3q2q

Posted

Sep 17, 2024

Alexander Gilchrist, Daniel McNaughton, Mohamed Fares, Xin Wu, Bryson Hawkins, Stephen Butler, David Hibbs, Philip Alan Gale

Tetralactam-based Anion Transporters

10.26434/chemrxiv-2024-nf2rh-v3

Posted

Sep 17, 2024

Mikołaj Martyka, Lina Zhang, Fuchun Ge, Yi-Fan Hou, Joanna Jankowska, Mario Barbatti, Pavlo O. Dral

Charting electronic-state manifolds across molecules with multi-state learning and gap-driven dynamics via efficient and robust active learning

10.26434/chemrxiv-2024-dtc1w-v2

Posted

Sep 17, 2024

Giulia Bellini, Gregor Koch, Frank Girgsdies, Jinhu Dong, Spencer J. Carey, Olaf Timpe, Gudrun Auffermann, Matthias Scheffler, Robert Schlögl, Lucas Foppa, Annette Trunschke

CO Oxidation Catalyzed by Perovskites: The Role of Crystallographic Distortions Highlighted by Systematic Experiments and AI

10.26434/chemrxiv-2024-8xkh5-v2

Posted

Sep 17, 2024

Michael Prieschl, David Cantillo, C. Oliver Kappe, Gabriele Laudadio

Scalable electrocatalyzed formation of C–O bonds using flow reactor technology

10.26434/chemrxiv-2024-2npx7

Posted

Sep 17, 2024

Management

Mosrat Jahan Aunadi, Zahid Hasan Reyad

The Future of Work: How HR Can Prepare for Automation and Job Displacement

Posted

Sep 17, 2024

10.33774/coe-2024-71jmd

Kristen Abels, Victoria Yang, William Tarpeh

Informing ion exchange membrane design targets for Donnan Dialysis-mediated lithium brine concentration

10.26434/chemrxiv-2024-jzddb-v2

Posted

Sep 17, 2024

Cindy Klaus, Jordi Soler, Grzegorz Kubik, Yosephine Gumulya, Yue Hui, Ella J. Watkins-Dulaney, Max-Luca Heitland, Marc Sommer, Alina Klein, Julia L. Kowal, Hartmut H. Niemann, Frances H. Arnold, Marc Garcia-Borràs, Stephan C. Hammer

Directed Evolution Enables Dynamic Control of Transient Intermediates for Anti-Markovnikov Wacker-Tsuji-Type Oxidation of Unactivated Alkenes

10.26434/chemrxiv-2024-j0229-v2

Posted

Sep 17, 2024

Ryuhei Sato, Lewis Conway, Di Zhang, Chris Pickard, Kazuto Akagi, Kartik Sau, Li Hao, Shin-ichi Orimo

Hydrogen Absorption Promoted by Surface Melting: Guidelines for High-Pressure Superhydride Synthesis

10.26434/chemrxiv-2024-2v5l6-v3

Posted

Sep 17, 2024

David Kreutter, Jean-Louis Reymond

Chemoenzymatic Multistep Retrosynthesis with Transformer Loops

10.26434/chemrxiv-2024-svr99-v2

Posted

Sep 17, 2024

Honggen Wang, Yin Li, Xiao-Bin Liu, Vadym Sham, Ivan Logvinenko, Jiang-Hao Xue, Jun-Yunzi Wu, Jia-Luo Fu, Shuang Lin, Yuan Liu, Qingjiang Li, Pavel Mykhailiuk

Saturated F2-rings from Alkenes

10.26434/chemrxiv-2024-0wf3l-v2

Posted

Sep 17, 2024

Changfeng Si, William Primrose, Yan Xu, Zachary Hudson, Eli Zysman-Colman

Highly Efficient Red Multi-Resonant Thermally Activated Delayed Fluorescence Emitters as Bioimaging Reagents

10.26434/chemrxiv-2024-2jvfp

Posted

Sep 17, 2024

Jack Barr, Enrico Cadoni, Sofie Schellinck, EMILIANO LAUDADIO, Jose C Martins, Annemieke Madder

Light-triggered stapling of biologically relevant DNA tetraplexes results in increased topological, thermodynamic, and metabolic stability.

10.26434/chemrxiv-2024-jv3hr

Posted

Sep 17, 2024

Polarizability relaxation in protic ionic liquids: a comprehensive approach

Ary Cavalcante

10.26434/chemrxiv-2024-83knd

Posted

Sep 17, 2024

Amine Khitous, Céline Molinaro, Stephania Abdallah, Jean-Pierre Malval, Sylvie Marguet, Olivier Soppera

Experimental observation of thermoplasmonic heat transfer at the nanoscale by polymerization. A step towards nanoscale heat sources.

10.26434/chemrxiv-2024-db2mp

Posted

Sep 17, 2024

Zhubao Yin, Gao-Xiang Wang, Xuechao Yan, Junnian Wei, Zhenfeng Xi

Construction of N−E bonds via Lewis acid-promoted functionalization of chromium-dinitrogen complexes

10.26434/chemrxiv-2024-v4ffr

Posted

Sep 17, 2024

Ayan Bera, Sarah Bimmermann, Dibya Jyoti Barman, Leon Gerndt, Thomas Lohmiller, Kaltum Abdiaziz, Maylis Orio, Alexander Schnegg, Kara L. Bren, Dennis G. H. Hetterscheid, Michael Römelt, Ulf-Peter Apfel, Kallol Ray

Ligand Non-Innocence and Proton Channel Promote Cobalt-Catalyzed Electrochemical CO2 Reduction with Predominant CO Selectivity

10.26434/chemrxiv-2024-991vw

Posted

Sep 17, 2024

Nico Domschke, Bruno Schmidt, Thomas Gatter, Richard Golnik, Paul Eisenhuth, Fabian Liessmann, Jens Meiler, Peter F Stadler

Crossover Operators for Molecular Graphs with an Application to Virtual Drug Screening

10.26434/chemrxiv-2024-41295

Posted

Sep 17, 2024

Jonas Düker, Maximilian Philipp, Thomas Lentner, Jamie Cadge, João Lavarda, Ruth Gschwind, Matthew Sigman, Indrajit Ghosh, Burkhard Koenig

Cross-coupling reactions with nickel, visible light, and tert-butylamine as a bifunctional additive

10.26434/chemrxiv-2024-43xbn

Posted

Sep 17, 2024

Amitrajit Mukherjee, Robby Reynaerts, Bapi Pradhan, Sudipta Seth, Andreas T. Rösch, Tamali Banerjee, Lata Chouhan, Handong Jin, Christian Sternemann, Michael Paulus, Luca Leoncino, Kunal S. Mali, Steven De Feyter, Maarten Roeffaers, Egbert Willem Meijer, Johan Hofkens, Elke Debroye

Machine Learning for Microscopy Data Analysis: Toward Real-time Optical and Electrical Characterization of Sub-micron Materials

10.26434/chemrxiv-2024-67549

Posted

Sep 17, 2024

Yueze Gao, Edmund Leary, Lucía Palomino-Ruiz, M. Teresa González, Maximilian Krempe, Matthew Johnson, Rik R. Tykwinski

Length Dependent Conduction of Polyynes: Searching for the Limit of the Tunneling Regime

10.26434/chemrxiv-2024-tf2s2

Posted

Sep 17, 2024

Annapoorani Hariharan, Christopher Johnson

Laboratory Mass Spectrometry of Intact Atmospherically-Relevant Particles

10.26434/chemrxiv-2024-h3jzp

Posted

Sep 17, 2024

Tai Nguyen, George Shimizu, Arvind Rajendran

Experimental Demonstration of Humid Post-Combustion CO2 Capture by Vacuum Swing Adsorption Using CALF-20

10.26434/chemrxiv-2024-nx3vg

Posted

Sep 17, 2024

Kamil Skonieczny, Francesco Di Maiolo, Sara Venturi, Alessandro Iagatti, Alessandro Ricci, Francesco Bertocchi, Daniel T. Gryko, Andrea Lapini

How nitro group position determines the emission properties of diketopyrrolopyrroles

10.26434/chemrxiv-2024-r007f

Posted

Sep 17, 2024

Arnau Call, Andrea Palone, Jordan P. Liles, Natalie P. Romer, Jacquelyne A. Read, Josep Maria Luis, Matthew S. Sigman, Massimo Bietti, Miquel Costas

Understanding Catalytic Enantioselective C-H Bond Oxidation at Nonactivated Methylenes Through Predictive Statistical Modeling Analysis

10.26434/chemrxiv-2024-mc54v

Posted

Sep 17, 2024

Thomas Cholewa, Theresa Kunz, Benedikt Steinbach, Vera Büttner, Malte Gierse, Florian Nestler, Robert Güttel

Process intensification of the NH3 synthesis through in situ removal: Exploring the potential of sorption-enhancement

10.26434/chemrxiv-2024-1tmqw

Posted

Sep 17, 2024

Sophia Bazzi, Sharareh Sayyad

Versatile algorithm for protein bond discovery: NOS linkages as a case study

10.26434/chemrxiv-2024-7rkpf

Posted

Sep 17, 2024

Elias Galiounas, Rhodri E. Owen, James B. Robinson, Rhodri Jervis

The generalisation challenge: assessment of the efficacy of acoustic signals for state estimation of lithium-ion batteries via machine learning

10.26434/chemrxiv-2024-93b2q

Posted

Sep 17, 2024

Sophia Bazzi, Maike Mücke, Jin Ye, Ricardo A. Mata

Automated database generation and electron density analysis for NOS bond identification

10.26434/chemrxiv-2024-1ns4k

Posted

Sep 17, 2024

Pierre Locquet, Akilan Rajamani, Rémi Pereira, Fabienne Grellepois, Jean-Marc Weibel, Eric Hénon, Emmanuel Riguet, Aurélien Blanc

Unlocking the Aromatic Cope Rearrangement with Gold(I) Catalysis

10.26434/chemrxiv-2024-6864j

Posted

Sep 17, 2024

Stefano Elli, Tommaso Sisto, Sofia Nizzolo, Nadia Freato, Laura Bertocchi, Giulio Bianchini, Edwin Yates, Marco Guerrini

Modelling the Detailed Conformational Effects of the Lactosylation of Hyaluronic Acid

10.26434/chemrxiv-2024-bmsk4

Posted

Sep 17, 2024

Evyatar Shaulsky, Sabrina Marnoto, Avi J. Patel, Sara M. Hashmi

Droplet deformation in steady fluidic flows enables robust, accessible, high-throughput surface tension measurements

10.26434/chemrxiv-2024-p8fz6

Posted

Sep 17, 2024

Pyeongeun Kim, Ryan Reynolds, Alexandra Deal, Veronica Vaida, Musahid Ahmed, Kevin Wilson

Accelerated Zymonic Acid Formation from Pyruvic Acid at the Interface of Aqueous Nanodroplets

10.26434/chemrxiv-2024-cr182

Posted

Sep 17, 2024

Tired of Politics? Survey Satisficing and Respondent Exposure to Political Content

Ian Anson

Posted

Sep 17, 2024

10.33774/apsa-2024-s2v34

Inna Ermilova, Linnea Ögren, Olivia Borg, Maria Weber, Elinor Einarsson, Erik Podda Grahn, Jan Swenson

Effect of minor differences in sequences of huntingtin peptides on their interactions with sucrose and trehalose: in silico investigation

10.26434/chemrxiv-2024-5dk2f

Posted

Sep 18, 2024

Haruki Takimoto, Kazuhiro Aida, Yoshio Nishimoto, Daisuke Yokogawa, Eisuke Ota, Junichiro Yamaguchi

Reversing the Chemoselectivity in Photocatalytic C–F Bond Cleavage Enabled by Zirconocene and Photoredox Catalysis

10.26434/chemrxiv-2024-ssj00

Posted

Sep 18, 2024

Maya David, Sara Gutkin, Raj V. Nithun, Muhammad Jbara, Doron Shabat

Unprecedented Photoinduced-Electron-Transfer Probe with a Turn-ON Chemiluminescence Mode-of-Action

10.26434/chemrxiv-2024-vj8f6

Posted

Sep 18, 2024

Simulation of Ultrafast Excited-State Dynamics in Fe(II) Complexes: Assessment of Electronic Structure Descriptions

Mátyás Pápai

10.26434/chemrxiv-2024-sfn8p

Posted

Sep 18, 2024

Beatrice Collins, Emma Hollis, Michael Chronias, Carlijn van Beek, Paul Gates

[1,n]-Metal migrations for directional translational motion at the molecular level

10.26434/chemrxiv-2024-nkrd8-v2

Posted

Sep 18, 2024

Christian Hippolyt Bartsch, Limei Jin, Franz Philipp Bereck, Andreas Mertens, Rüdiger-Albert Eichel, Christoph Scheurer, Josef Granwehr

Weighted distribution of relaxation time analysis of battery impedance spectra using Gaussian process regression for noise estimation

10.26434/chemrxiv-2024-1gxgq

Posted

Sep 18, 2024

Integrating Path Sampling with Enhanced Sampling for Rare-event Kinetics

Dhiman Ray

10.26434/chemrxiv-2024-qr6kv

Posted

Sep 18, 2024

Non-selective antagonists acting at a stable cell-cell interface have the potential to induce signaling

John Proudfoot

10.26434/chemrxiv-2024-9kfl4

Posted

Sep 18, 2024

Christian Rosales, Noah Lepinsky, Wondewossen Gebeyehu, Karl Wasslen, Benjamin Warnes, Jasmine Chihabi, Jeffrey Manthorpe, Jeffrey Smith

Improved LC-MS detection of opioids, amphetamines, and psychedelics using TrEnDi

10.26434/chemrxiv-2024-7gb0p

Posted

Sep 18, 2024

Alisha Kamra, Rohit Kapila, Bhaskar Sen, Subinoy Rana

Nuclease-resistant photo-responsive synthetic “double-stranded DNAzyme”

10.26434/chemrxiv-2024-0167h

Posted

Sep 18, 2024

Xiaojun Ren, Xiao Sui, Llewellyn Owens, Daisuke Asanoma, Dali Ji, Xinyue Wen, Kamal Pant, Vanesa Quintano, Daria Andreeva, Kostya Novoselov, Yuta Nishina, Amir Karton, Tobias Foller, Rakesh Joshi

Synergetic hydrogen-bond network of functionalized graphene and cations for enhanced atmospheric water capture

10.26434/chemrxiv-2024-m9f3h-v2

Posted

Sep 18, 2024

Yucheng Yuan, Jiawei He, Jiangwei Liu, Ming-Chi Wang, Tuhin Ganguly, John Santoro, Junpeng Wang, Jeffery Byers, Jia Niu, Mingjiang Zhong, Dunwei Wang

Compatibilization of polyolefin blends through acid–base interactions

10.26434/chemrxiv-2024-qhsj9

Posted

Sep 18, 2024

Richard Lima, Ana Carla Colli, Sara Souza, Milton Groppo, Carlos Martins, Antônio Crotti

Chemical composition and antibacterial activity of the essential oil of Coreopsis lanceolata leaves

10.26434/chemrxiv-2024-dk7v6

Posted

Sep 18, 2024

Guanyu Wang, Julia Stille, Richard Boulon, Christopher Hennecker, Xiaocong Zhang, Nicole Blaine, Steven Laplante, Anthony Mittermaier, Nicolas Moitessier

Structure-Based Optimization and Biological Evaluation of SARS-CoV-2 3CLpro Covalent Inhibitors

10.26434/chemrxiv-2024-091mt

Posted

Sep 18, 2024

Andrew Krasley, Sayantani Chakraborty, Lela Vukovic, Abraham Beyene

Molecular Determinants of Optical Modulation in ssDNA-Carbon Nanotube Biosensors: Insights from Experimental and Computational Approaches

10.26434/chemrxiv-2024-8k2q2

Posted

Sep 18, 2024

Wenbo Yuan, Tianyu Huang, Jianping Zhou, Man-Chung Tang, Dongdong Zhang, Lian Duan

High-efficiency and long-lifetime deep-blue phosphorescent OLEDs using deuterated exciplex-forming host

10.26434/chemrxiv-2024-8bn7g

Posted

Sep 18, 2024

Biyue Zhu, Yanbo Li, Shi Kuang, Astra Yu, Jing Zhang, Jun Yang, Johnson Wang, Shiqian Shen, Xuan Zhai, Jiajun Xie, Chongzhao Ran

Chemiluminescence signature arrays coupling with machine learning for Alzheimer’s disease serum diagnosis

10.26434/chemrxiv-2024-vs1m9

Posted

Sep 18, 2024

Yuan Chen, Can Deng, Jingyuan Zhu, Bingyang Du, Rui Zhang, Ziyu Li, Huimin Liu

Gasification for SNG-power cogeneration using coal as material integrated with calcium looping for enhancing CO2 absorption

10.26434/chemrxiv-2024-grhpq

Posted

Sep 18, 2024

Yatong Wang, Geert Brocks, Ceren Tayran, Süleyman Er

2D TiNBr as photocatalyst for overall water splitting

10.26434/chemrxiv-2024-vxdq4

Posted

Sep 18, 2024

Hidenori Nishio, Hiroki Miura, Tetsuya Shishido

Low-Temperature Borylation of C(sp3)–O Bonds of Alkyl Ethers by Gold-Metal Oxide Cooperative Catalysis

10.26434/chemrxiv-2024-h6mw9

Posted

Sep 18, 2024

Taritra Mukherjee, Martin Rabe

Hydration Shell Water Surrounding Citrate-Stabilised Gold Nanoparticles

10.26434/chemrxiv-2024-1dchd

Posted

Sep 18, 2024

José Antonio Díaz Olivares, Stef Grauwels, Xinyue Fu, Ines Adriaens, Wouter Saeys, Ryad Bendoula, Jean-Michel Roger, Ben Aernouts

Temperature Correction of Near-Infrared Spectra of Raw Milk

10.26434/chemrxiv-2024-ls0j0

Posted

Sep 18, 2024

Yuxinxin Chen, Pavlo O. Dral

All-in-one foundational models learning across quantum chemical levels

10.26434/chemrxiv-2024-ng3ws

Posted

Sep 18, 2024

Daniel Biri, Ashwin Kumar Rajagopalan, Marco Mazzotti

From cloudy suspensions to clear data: Particle imaging enabled by automated dilution

10.26434/chemrxiv-2024-k66bm-v2

Posted

Sep 18, 2024

Philosophy

Quantum theology, or: “Theologie als strenge Wissenschaft”

Vasil Penchev

Posted

Sep 18, 2024

10.33774/coe-2024-724bs

Sávio Bertoli, Jesús Apolinar-Hernández, Natan Padoin, Cíntia Soares

A simple solution form for triple tube heat exchanger with non-adiabatic condition on the outer wall by analogy with moving bed heat exchanger

10.26434/chemrxiv-2024-f5ngq

Posted

Sep 19, 2024

Lucas Bisel, Aurélie Fossey-Jouenne, Richard Martin, Jonathan Bassut, Antoine Lancien, Louis Mouterde, Vivien Herrscher, Muriel Billamboz, Carine Vergne-Vaxelaire, Rénato Froidevaux, Anne Zaparucha, Egon Heuson

Hybrid synthesis of AMFC-derived amides using supported gold nanoparticles and acyl-coenzyme A ligases

10.26434/chemrxiv-2024-2d7wr

Posted

Sep 19, 2024

Massimo Bocus, Elias Van Den Broeck, Xian Wu, Mathias Bal, Jeroen Bomon, Louis Vanduyfhuys, Bert F. Sels, Bert U. W. Maes, Veronique Van Speybroeck

Confined hot-pressurized water in Brønsted-acidic Beta zeolite speeds up the O-demethylation of guaiacol

10.26434/chemrxiv-2024-ll505

Posted

Sep 19, 2024

Aidan V. Johnson, Sebastian Alin Porav, Kasia L. R. Hammond, Anokhi Shah, Joshua L. Wort, Yue Ma, Hassane El Mkami, Christopher M. Pask, Stephen P. Muench, Andrew J. Wilson, Christos Pliotas, Robin S. Bon

Non-covalent spin labelling of TRPC5 ion channels enables EPR studies of protein-ligand interactions

10.26434/chemrxiv-2024-t3bp9

Posted

Sep 19, 2024

Jonathan Ouimet, Faraj Al-Badani, Xinhong Liu, Laurianne Lair, Zachary Muetzel, Alexander Dowling, William Phillip

Automated Membrane Characterization: In-situ Monitoring of the Permeate and Retentate Solutions using a 3D Printed Permeate Probe Device

10.26434/chemrxiv-2024-31fl1-v2

Posted

Sep 19, 2024

Calum Snowdon, Giuseppe Maria Junior Barca

An Efficient RI-MP2 Algorithm for Distributed Many-GPU Architectures

10.26434/chemrxiv-2024-9091h-v2

Posted

Sep 19, 2024

John Kreinbihl, Nicoline Frederiks, Kathleen Nickson, Annapoorani Hariharan, Emily Racow, Melanie Chiu, Christopher Johnson

Unusual Confinement-Induced Basicity and Proton-Mediated CH Activity of an Adipic Acid-Ammonium Cluster

10.26434/chemrxiv-2022-xqj08-v3

Posted

Sep 19, 2024

Luana Cardinale, Gregory L. Beutner, Christopher Y. Bemis, Daniel J. Weix, Shannon Stahl

Non-Innocent Role of Sacrificial Anodes in Electrochemical Nickel-Catalyzed C(sp2)-C(sp3) Cross-Electrophile Coupling

10.26434/chemrxiv-2024-78n0x

Posted

Sep 19, 2024

Zhi-Ming Su, Darren L. Poole, Mohammad Rafiee, Robert S. Paton, Daniel J. Weix, Shannon Stahl

Selective Ni-Catalyzed Cross-Electrophile Coupling of Heteroaryl Chlorides and Aryl Bromides at 1:1 Substrate Ratio

10.26434/chemrxiv-2024-3q21n

Posted

Sep 19, 2024

Optimizing spin qubit performance of lanthanide-based metal−organic frameworks

Xiya Du, Lei Sun

10.26434/chemrxiv-2024-zzs16

Posted

Sep 19, 2024

Tomasz Wojnowski, Anna Ordyszewska, Hanna Halenka, Iwona Anusiewicz, Jarosław Chojnacki, Kinga Kaniewska-Laskowska, Rafał Grubba

Activation of small molecules by ambiphilic NHC-stabilized phosphinoborenium cation: formation of boreniums with B-O-C, B-O-B, and B-O-P structural motifs

10.26434/chemrxiv-2024-qwnb2

Posted

Sep 19, 2024

Luigi Dolcini, Andrea Solida, Daniele Lavelli, Andrés Mauricio Hidalgo-Núñez, Tommaso Gandini, Matthieu Fornara, Alessandro Colella, Alberto Bossi, Marta Penconi, Daniele Fiorito, Cesare Gennari, Alberto Dal Corso, Luca Pignataro

Bifunctional photocatalysts display proximity-enhanced catalytic activity in metallaphotoredox C–O coupling

10.26434/chemrxiv-2024-qgsl2

Posted

Sep 19, 2024

Rana Kiani, Huiying Sheng, Timo Held, Oliver Löhmann, Sebastian Risse, Daniel Sebastiani, Pouya Partovi-Azar

Toward Ab initio Simulation of Operando Raman Spectroscopy: Application to Sulfur/Carbon Copolymer Cathodes in Li-S Batteries

10.26434/chemrxiv-2024-q6ssd

Posted

Sep 19, 2024

Alexandra M. Dudzinski, Elias Diesen, Karsten Reuter, Vanessa J. Bukas

Oxygen Adsorption at the Electrochemical Metal/Water Interface: Au(111) vs Pt(111)

10.26434/chemrxiv-2024-xdl01

Posted

Sep 19, 2024

Douglas Yarbrough, Brian Osei-Badu, Cole Wagner, Kayla Storme, Sebastian Marquez R., Justin Mohr

Fe-Catalyzed Structurally Divergent γ-Polyhaloalkylation of Si- loxydienes

10.26434/chemrxiv-2024-78vqn

Posted

Sep 19, 2024

Navin Yadav, Ajay Kumar Sahoo, Debarghya Sarkar, Jarugu Narasimha Moorthy

Metal-free generation of halogen radicals using NXS/TBHP: Application in site-selective halogenation of quinoxalin-2(1H)-ones and synthesis of gem-dihaloketones

10.26434/chemrxiv-2024-jqq3t

Posted

Sep 19, 2024

Yiyi Zhang, Pierre Mesdom, Eduardo Izquierdo-García, João António, Bruno Saubamea, Johanne Seguin, Morgane Moinard, Philippe Arnoux, Céline Frochot, Kevin Cariou, Bich-Thuy Doan, Gilles Gasser

A Near-Infrared-Absorbing Osmium(II) Complex as a Photosensitizer for Photodynamic Therapy inducing Immunogenic Cell Death

10.26434/chemrxiv-2024-6dnl2

Posted

Sep 19, 2024

Tutan Das Aka, Thomas Boller, Graham Dobereiner, Stephanie L. Wunder

Phase Separation and Passive Diffusion of Perfluorooctane Sulfonic Acid (PFOS) in Multilamellar and Unilamellar Vesicles

10.26434/chemrxiv-2024-2pdt3

Posted

Sep 19, 2024

Gregory Gaube, Douglas Miller, Rowan McCallum, Nahiane Pipaon Fernandez, David Leitch

Base-free palladium-catalyzed borylation of enol carboxylates and further reactivity toward deboronation and cross-coupling

10.26434/chemrxiv-2024-5mlml

Posted

Sep 19, 2024

Yinan Xu, Samuel Varner, Yezhi Jin, Gustavo Pérez-Lemus, Joan Montes de Oca, Zhen-Gang Wang, Juan de Pablo

Long Molecular Wires and the Auto-ionization of Water

10.26434/chemrxiv-2024-f9bv7

Posted

Sep 19, 2024

Junpeng Zhuang, Lichang Wang

A Motif for Generating Coherently Degenerate States in A-D-D-A Type Organic Small Molecules

10.26434/chemrxiv-2024-q6b3g

Posted

Sep 19, 2024

Mami Isobe, Daichi Kitagawa, Seiya Kobatake

Patterning of photochromic diarylethene crystals by sublimation for morphological controls

10.26434/chemrxiv-2024-j0sdf

Posted

Sep 19, 2024

Tianyu Jiao, Cong-Hui Wu, Yu-Shuang Zhang, Xiaohe Miao, Shaofei Wu, Shang-Da Jiang, Jishan Wu

Unveiling the mysterious hydrocarbon – Clar’s goblet

10.26434/chemrxiv-2024-ks6xm

Posted

Sep 19, 2024

Paweł Wójcik, Taras Khvorost, Guanming Lao, Guozhu Zhu, Antonio Macias Jr, Justin Caram, Wesley Campbell, Miguel García-Garibay, Eric Hudson, Anastassia Alexandrova, Anna Krylov

Photoswitching molecules functionalized with optical cycling centers provide a novel platform for studying chemical transformations in ultracold molecules

10.26434/chemrxiv-2024-l71cj

Posted

Sep 19, 2024

Shiwei Chen, Zhi-Hui Zhang, Yuntao Li, Yijing Chen, Jinrong Yang, Xiao He, Liang Zhang

Implications of weaving pattern on the material properties of two-dimensional molecularly woven fabrics

10.26434/chemrxiv-2024-x07sq

Posted

Sep 19, 2024

Yossi Weizmann, Aritra Biswas, Nir Lemcoff, Ofir Shelonchik

Molecular photothermal activation assisted synthesis, and orthogonal assembly of metal-organic-framework

10.26434/chemrxiv-2024-vmk13

Posted

Sep 19, 2024

Ravindra Shinde, Claudia Filippi, Anthony Scemama, William Jalby

Exascale Quantum Mechanical Simulations: Navigating the Shifting Sands of Hardware and Software

10.26434/chemrxiv-2024-qcgfd-v2

Posted

Sep 19, 2024

Tatiana Vieira, Herbert Dias, Daiane Santos, Lizandra Magalhães, Antônio Crotti

In vitro antischistosomal activity of 2-aroyl-benzofuran derivatives against Schistosoma mansoni

10.26434/chemrxiv-2024-dt9wv

Posted

Sep 20, 2024

Mikolaj Mizera, Arkadii Lin, Eugene Babin, Yury Kashkur, Tatiana Sitnik, Ien An Chan, Arsen Yedige, Maksim Vendin, Shamkhal Baybekov, Vladimir Aladinskiy

Graph Transformer Foundation Model for modeling ADMET properties

10.26434/chemrxiv-2024-vcppg

Posted

Sep 20, 2024

Computational improvement of volatile hits to mosquito ORCO odor co-receptors

julio coll

10.26434/chemrxiv-2024-m6fhj

Posted

Sep 20, 2024

Scott Gardner, Gabriela Bezati, Tristen Godfrey, Katie Baird, Usamah Bilal, Emma Loudon, Rhona Young, Lewis Edward MacKenzie

Analysis of Over 1,600 Chemistry YouTube Channels from 2005 to 2023

10.26434/chemrxiv-2024-74hhg-v3

Posted

Sep 20, 2024

James Godwin, Hojae Yi, Kendhl Seabright, David Harper, Stephen Chmely

Optimization of Cosolvent Enhanced Lignocellulosic Fractionation for Isolating Switchgrass Lignin with Distinct Structural Features Using Response Surface Methodology

10.26434/chemrxiv-2024-qbjg2-v3

Posted

Sep 20, 2024

Koichi Handa, Daichi Fujita, Mariko Hirano, Saki Yoshimura, Michiharu Kageyama, Takeshi Iijima

A practical in silico method for predicting compound brain concentration-time profiles: combination of PK modeling and machine learning

10.26434/chemrxiv-2024-m3r7b-v2

Posted

Sep 20, 2024

Scott Stewart, Morgan John, Daven Foster, Stephen Moggach, George Koutsantonis, Reto Dorta

A Practical, Large Scale Preparation of Ni(tmeda)(o-tol)Cl

10.26434/chemrxiv-2024-pw0pg-v2

Posted

Sep 20, 2024

Dick Hartmann Douma, Stephane Kenmoe

Electronic and magnetic properties of Co3 O4 and Co3−xNixO4 from theoretical XANES spectroscopy at the Co K-edge

10.26434/chemrxiv-2024-xd6t3

Posted

Sep 20, 2024

Jagannath Satpathy, Jui-Kai Chen, Gang Wen, Hiroshi Masuhara, Sudipta Seth, Volker Leen, Susana Rocha, Johan Hofkens, Boris Louis, Roger Bresolí-Obach

High resolution imaging of non-equilibrium colloidal self-assembly enabled by photopolymerization

10.26434/chemrxiv-2024-gp12h

Posted

Sep 20, 2024

Hao Zeng, Yitian Kou, Xiang Sun

How Sophisticated Are Neural Networks Needed to Predict Long-Term Nonadiabatic Dynamics?

10.26434/chemrxiv-2024-qns7q

Posted

Sep 20, 2024

Igor d'Anciães Almeida Silva

Predicting structural groups of small molecules from 1H NMR spectral features using common machine learning classifiers

10.26434/chemrxiv-2024-jsvm3

Posted

Sep 20, 2024

Alexandra Deal, Alexander Prophet, Franky Bernal, Richard Saykally, Kevin Wilson

A Detailed Reaction Mechanism for Thiosulfate Oxidation by Ozone in Aqueous Environments

10.26434/chemrxiv-2024-kcd0l

Posted

Sep 20, 2024

Silvia Juliana Vesga Martínez, Christopher Paul Rüger, Paul Kösling, Julian Schade, Sven Ehlert, Yury O. Tsybin, Ralf Zimmermann

Deciphering Isotopic Fine Structures of Silylated Compounds in Gas Chromatography - Vacuum Photoionization Orbitrap Mass Spectrometry of Bio-Oils

10.26434/chemrxiv-2024-031n4

Posted

Sep 20, 2024

Oleksandr Savateev, Jingru Zhuang, Sijie Wan, Chunshan Song, Shaowen Cao, Junwang Tang

Photocatalytic Water Splitting and H2 Generation Coupled with Organic Synthesis: A Large Critical Review

10.26434/chemrxiv-2024-7zqfn

Posted

Sep 20, 2024

Chun Qi, Giulio Goti, Andrea Sartorel, Luca Dell'Amico, Daniele Mazzarella

Electrochemical Ferrier Rearrangement of Glycals

10.26434/chemrxiv-2024-fz4bl

Posted

Sep 20, 2024

Joanna Magdalena Przybysz, Ken Jenewein, Mária Minichová, Tomáš Hrbek, Thomas Böhm, Tatiana Priamushko, Serhiy Cherevko

Key Aspects in Designing High-Throughput Workflows in Electrocatalysis Research: A Case Study on IrCo Mixed-Metal Oxides

10.26434/chemrxiv-2024-5b3pf

Posted

Sep 20, 2024

Elena V. Stepanova, Andrey Shatskiy, Ivan Doroshenko, Peter Dinér, Markus D. Kärkäs

Site-Selective C–H Bond Functionalization of Native Sugars

10.26434/chemrxiv-2024-smx3g

Posted

Sep 20, 2024

Sebastian Acosta-Calle, Elsa Huebsch, Jenna Halenda, Zoe Stuart, Chun-Hsing Chen, Alexander Miller

Synthesis and Electrochemical Studies of Nickel Complexes with a Flexidentate Bipyridine-aza-crown Ether Ligand

10.26434/chemrxiv-2024-l9608

Posted

Sep 20, 2024

Qingpu Wang, Yucheng Fu, Erin Miller, Duo Song, Philip Brahana, Zhijie Xu, Grant Johnson, Bhuvnesh Bharti, Maria Sushko, Elias Nakouzi

Recovery of neodymium and dysprosium from magnet feedstock solutions via reaction-diffusion coupling

10.26434/chemrxiv-2024-165h3

Posted

Sep 20, 2024

Ryan J. Anthony, Metin Karayilan, Benjamin Sturtz

Synthesis of Germoxysilicon Phthalocyanines

10.26434/chemrxiv-2024-lqh7l

Posted

Sep 20, 2024

Carlos Huang-Zhu, Reid Van Lehn

Influence of Branched Ligand Architectures on Nanoparticle Interactions with Lipid Bilayers

10.26434/chemrxiv-2024-9bzms

Posted

Sep 20, 2024

Mathew Suazo, Logan Fenimore, Stephanie Barbon, Hayley Brown, Evelyn Auyeung, Gerardo Cespedes, Colin Li Pi Shan, John Torkelson

Extrudable and highly creep-resistant covalent adaptable networks made from polyethylene and ethylene/1-octene copolymers by reactive processing with aromatic disulfide cross-links

10.26434/chemrxiv-2024-86tvm

Posted

Sep 20, 2024

Maximilian Becker, Roland Netz

Interfacial versus confinement effects in the anisotropic frequency-dependent dielectric, THz and IR response of nanoconfined water

10.26434/chemrxiv-2024-wc1bc

Posted

Sep 20, 2024

Julien Steffen, Amin Alibakhshi

Hydrogen diffusion on Ni(100): A Combined Machine-Learning, Ring Polymer Molecular Dynamics, and Kinetic Monte Carlo Study

10.26434/chemrxiv-2024-6j11k-v2

Posted

Sep 20, 2024

Syed Bokhari, Jensen Sevening, Jeffrey Catchmark, Stephen Chmely

Tailoring Mechanical Properties for Additive Manufacturing: Strategic Molecular Design of UV-Curable Bio-based Oligoester Resins via Diacid and Diol Exploration

10.26434/chemrxiv-2024-skzbn-v3

Posted

Sep 20, 2024

He Zhu, Guanzhao Wen, Wenhao Zheng, Nicholas Rees, Wojciech Stawski, Hai Wang, Mischa Bonn, Harry Anderson

High Charge Carrier Mobility in Porphyrin Nanoribbons

10.26434/chemrxiv-2024-dwwm6

Posted

Sep 20, 2024

Agata Hajda, Elizaveta Petrusevich, Robert Zaleśny, Borys Ośmiałowski, Joanna Olesiak-Bańska

Novel O,N,O-coordinated organofluoroboron probe for amyloid detection: Insight from experiment and theory

10.26434/chemrxiv-2024-f384d

Posted

Sep 20, 2024

Art

“I & it,” “I & thou” and Zuihitsu : A Dialectical Performance from the Artist’s Mind.

Jackie Flanagan

Posted

Sep 20, 2024

10.33774/coe-2024-16n5z

Chokchai Kaiyasuan, Govindasamy Sathiyan, David J. Harding, Daniel Crespy, Pichaya Pattanasattayavong

Insights into the synthesis of a semiconducting nickel bis(dithiolene) coordination polymer

10.26434/chemrxiv-2024-rrvd3

Posted

Sep 23, 2024

Andrea Palyzová, Tereza Šmrhová, Gabriela Kapinusová, Zdena Škrob, Ondřej Uhlík, Tomáš Řezanka

Stereochemistry of Phosphatidylglycerols from Thermotolerant Bacteria Isolated from the World-Famous Karlovy Vary Thermal Springs

10.26434/chemrxiv-2024-gnq6d

Posted

Sep 23, 2024

Nicolò Tampellini, Brandon Mercado, Scott Miller

Stereocontrolled cyclization of inherently chiral medium-sized rings

10.26434/chemrxiv-2024-0gnd6-v2

Posted

Sep 23, 2024

Navanjalee T. Panagoda, Gábor Balázsi, Nicole S. Sampson

Mycobacterium tuberculosis Mce3R TetR-like Repressor Forms an Asymmetric Four-Helix Bundle and Binds a Non-Palindrome Sequence

10.26434/chemrxiv-2024-rk8q2-v2

Posted

Sep 23, 2024

Bingbin Wu, Ran Yi, Yaobin Xu, Peiyuan Gao, Yujing Bi, Libor Novak, Zhao Liu, Enyuan Hu, Nan Wang, Job Rijssenbeek, Subramanian Venkatachalam, jing wu, Dianying Liu, Xia Cao, Jie Xiao

Unusual Li2O Sublimation in Promoting Single Crystal Growth, Conversion and Recycling

10.26434/chemrxiv-2024-36k8b

Posted

Sep 23, 2024

Max Kudisch, Reagan Hooper, Lakshmy Valloli, Justin Earley, Anna Zieleniewska, Jin Yu, Stephen DiLuzio, Hannah Sayre, Xiaoyi Zhang, Matthew Bird, Amy Cordones-Hahn, Garry Rumbles, Obadiah Reid

Photolytic Activation of Ni(II)X2(dtbbpy) Explains How Ni-Mediated Cross Coupling Begins

10.26434/chemrxiv-2023-wptwr-v3

Posted

Sep 23, 2024

Yuan Fang, Xinqi Zhou, Lauren Lesiak, Yuchen He, Frederik Brøndsted, Cliff Stains

Small Molecule Delivery in Living Cells by Gated Hydrolysis of Phosphinate Ester Dyes: Application to Acute Myeloid Leukemia

10.26434/chemrxiv-2024-vqqvt

Posted

Sep 23, 2024

Julie Puyo-Fourtine, Laetitia Kantin, Milorad Andelkovic, Carine Tisné, Elisa Frezza, Inaki Tunon, Elise Duboué-Dijon

Molecular mechanism of rRNA maturation by M5: interplay between conformational flexibility and reactivity

10.26434/chemrxiv-2024-l454b

Posted

Sep 23, 2024

Langxing Liao, Jian Kuang, Wei Peng, Peng Wu, Xianhang Sang, Heng Yin, Changlin Tian, Lu Yu, Binju Wang

Direct coordination of phenol reductants to copper enables the Cu(II) reduction in Lytic polysaccharide monooxygenases

10.26434/chemrxiv-2024-cnw9h

Posted

Sep 23, 2024

Emre B. Boz, Ameya Bondre, Ronald de Bruijne, Antoni Forner-Cuenca

Conductive polymer coatings control reaction selectivity in all-iron redox flow batteries

10.26434/chemrxiv-2024-977zk

Posted

Sep 23, 2024

Nanostructured and recyclable palladium catalysts for hydrogenation of nitroarenes

Xiaopeng Min, Yin Wang

10.26434/chemrxiv-2024-hsq64

Posted

Sep 23, 2024

Jose Sena, Linus Johannissen, Jonny Blaker, Sam Hay

A Machine Learning Model for the Prediction of Water Contact Angles on Solid Polymers

10.26434/chemrxiv-2024-3x4rv

Posted

Sep 23, 2024

Jason Calvin, Christopher DelRe, Daniel Erdosy, Joy Cho, Hyukhun Hong, Jarad Mason

Thermodynamics of Polyethylene Glycol Intrusion in Microporous Water

10.26434/chemrxiv-2024-5bqml

Posted

Sep 23, 2024

Jonna Jasmin Güven, Marko Hanževački, Papu Kalita, Adrian Mulholland, Antonia Mey

Protocols for metallo- and serine-β-lactamase free energy predictions: insights from cross-class inhibitors

10.26434/chemrxiv-2024-9ksxr

Posted

Sep 23, 2024

Deekshant Wadhwa, Philipp Mensing, James Harden, Paula Branco, Vincent Tabard-Cossa, Kyle Briggs

Nano Trees: Nanopore signal processing and sublevel fitting using Decision Trees

10.26434/chemrxiv-2024-7mnqb

Posted

Sep 23, 2024

Seongmin Park, Yunha Hwang, Yuxi Lin, Jimin Kwak, Eunju Nam, Jiyeon Han, Hyun Goo Kang, Jiyong Park, Young-Ho Lee, Seung Jae Lee, Mi Hee Lim

Catalytic function of zinc finger proteins against amyloid- amyloidogenesis

10.26434/chemrxiv-2024-5058f

Posted

Sep 23, 2024

Yi Liang, Matthew Burton, Ben Jagger, Hua Guo, Johannes Ihli, Mauro Pasta

Virtual Electrode plating XPS Investigation of the Solid Electrolyte Interphase formed between Li Metal Anode and LGPS and LAGP Solid Electrolytes

10.26434/chemrxiv-2024-1v35h

Posted

Sep 23, 2024

Omar Alshangiti, Giulia Galatolo, Camilla Di Mino, Thomas Headen, Jacob Christianson, Simone Merotto, Gregory Rees, Yoan Delavoux, Małgorzata Swadźba-Kwaśny, Mauro Pasta

Imidazolium-based ionic liquid electrolytes for fluoride ion batteries

10.26434/chemrxiv-2024-jpmfq

Posted

Sep 23, 2024

Wei Zhou, Colin Hansen, Weicheng Chao, Enzo Brack, Scott Docherty, Christian Ehinger, Yuhao Wang, Chunliang Wang, Christophe Copéret

Gallium: A Universal Promoter Switching CO2 Methanation Catalysts to Produce Methanol

10.26434/chemrxiv-2024-6b14l-v3

Posted

Sep 23, 2024

Weijia Xu, Haoyang Xu, Meifang Zhu, Jin Wen

Ultrafast Dynamics in Spatially Confined Photoisomerization: Accelerated Simulations through Machine Learning Models

10.26434/chemrxiv-2024-53vnx-v2

Posted

Sep 23, 2024

Ian Seymour, Fiona Barry, James F Rohan, Alan O'Riordan

On-chip Electrochemical Detection of Dissolved Oxygen: Eliminating the Requirement for Permeable Selective Membrane

10.26434/chemrxiv-2024-v691w

Posted

Sep 23, 2024

Chang sheng Guo, xiaolong su, chunxuan qi, guogang shan, Hai tao Feng, benzhong tang

Tetraphenylethylene Tricycle-based Sequential Light-Harvesting System through Efficient Förster Resonance Energy Transfer for Visible Light Photocatalysis

10.26434/chemrxiv-2024-rp0kc

Posted

Sep 23, 2024

Satyen Dhamankar, Shengli Jiang, Michael Webb

Accelerating Multicomponent Phase-Coexistence Calculations with Physics-informed Neural Networks

10.26434/chemrxiv-2024-rwrd1

Posted

Sep 23, 2024

Yiyuan Chen, Yunxiao Li, Charlotte Hind, Md Mahbub Hasan, Kazi Nahar, Melanie Clifford, J. Mark Sutton, Khondaker Miraz Rahman

New generation modified azole antifungals against multidrug-resistant Candida auris

10.26434/chemrxiv-2024-r0fzq

Posted

Sep 23, 2024

Binayak Roy, Urbi Pal, Jason John, Cuong Nguyen, Craig Forsyth, Patrick Howlett, Douglas MacFarlane

Enhanced Aluminium Passivation properties of lithium nonafluoro-tert-butoxide: Designing Electrolyte Additives for High-Voltage 4.8 V LiNi0.5Mn1.5O4-graphite batteries

10.26434/chemrxiv-2024-tjmgp

Posted

Sep 23, 2024

George Samaan, Andres Jimenez Salinas, Alexandra Bailie, Julian Grim, Julian Cizmic, Anita Jones, Young Kwang Lee, Byron Purse

Single-molecule detection of oligonucleotides using the fluorescent nucleobase analogue ABN

10.26434/chemrxiv-2024-7b24p

Posted

Sep 23, 2024

Shailendra Koirala, Yalini H. Wijesundara, Dong-Hao Li, Jashkaran Gadhvi, Ryanne N. Ehrman, Samuel Cornelius, Miguel A. Gaspar, Thien-Quang N. Nguyen, Orikeda Trashi, Ikeda Trashi, Sneha Kumari, Laurel M. Hagge, Thomas S. Howlett, Bradley D. Smith, Nicole J. De Nisco, Jeremiah Gassensmith

Fluorescent Molecular Probe for In Vivo Targeting and Live Cell Imaging of Intracellular Pathogenic E. coli

10.26434/chemrxiv-2024-h3p4f

Posted

Sep 23, 2024

How Criminal Governance Undermines Elections

Jessie Trudeau

10.33774/apsa-2021-dxcl7-v4

Posted

Sep 23, 2024

Daniel Walsh, Sonja Zmerli

Representations of Economic Inequality and Redistribution in British Party Manifestos (2005 - 2024)

Posted

Sep 23, 2024

10.33774/apsa-2024-m0hwk

Is the Liberal Soft Power Use a Myth? Comparing Democracies and Non-democracies’ Soft Power Use

Judit Trunkos

Posted

Sep 23, 2024

10.33774/apsa-2024-pc6k5

Carlos Henrique Vieira Santana, Marcela Nogueira Ferrario

Crafting Negative Partisanship in Brazil and the Rise of Bolsonaro

Posted

Sep 23, 2024

10.33774/apsa-2024-74zrl

Chun Sing Lai, April S. Y. Wong, Kin-Sing Wong, Terence S. M. Wan, Emmie N. M. Ho

Analytical Data Review on an Artificial Intelligence Platform for Doping Control in Horse Racing

10.26434/chemrxiv-2024-pt7ks

Posted

Sep 24, 2024

Maria A. Naumova, Mátyás Pápai, Mykola Biednov, David J. Gosztola, Yifeng Jiang, Aleksandr Kalinko, Frederico Alves Lima, Peter Zalden, Fernando Ardana Llamas, Florian Otte, Stefano Checchia, Huifang Geng, Weihua Lin, Jie Meng, Mingli Liang, Mohamed Abdellah, Qinying Pan, Qian Zhao, Ahibur Rahaman, Marufa Akter, Qingyu Kong, Gheorghe Paveliuc, Max L. Lawson Daku, Marius Retegan, Tomohiro Higashino, Hiroshi Imahori, Dmitry Khakhulin, Kaibo Zheng, Sophie E. Canton

Establishing Photoexcited Nickel Porphyrins as Hot Charge Transfer Chromophores

10.26434/chemrxiv-2024-lpxzb

Posted

Sep 24, 2024

Ikuo Fukuda, Kei Moritsugu

Analyses of the perturbative motion in the Coupled Nosé-Hoover equation for assessing the system parameter values

10.26434/chemrxiv-2024-2bv9d

Posted

Sep 24, 2024

Maximilian Mann, Thomas Nicholls, Harshal Patel, Lynn Lisboa, Jasmine Pople, Le Nhan Pham, Max Worthington, Matthew Smith, Yanting Yin, Gunther Andersson, Christopher Gibson, Louisa Esdaile, Claire Lenehan, Michelle Coote, Zhongfan Jia, Justin Chalker

Integrated methods for gold leaching and recovery from ore and electronic waste

10.26434/chemrxiv-2024-1xd84

Posted

Sep 24, 2024

Peikai Zhang, David Williams, Logan Stephens, Robert Helps, Shamini Pushparajah, Jadranka Travas-Sejdic, Marion Wood

Microfluidic Sensors for the Detection of Motile Plant Zoospores

10.26434/chemrxiv-2024-rn2fc

Posted

Sep 24, 2024

Nikolaos-Angelos Stamos, Shannah Kerrigan, Alexander Stiven, Gary Nichol, C. Grazia Bezzu, Luke Burt, Stephen Moggach, Gemma Turner, Neil McKeown

Porous molecular crystals derived from cofacial porphyrin/phthalocyanine heterodimers.

10.26434/chemrxiv-2024-ph882-v3

Posted

Sep 24, 2024

Matthew Burton, Sudarshan Narayanan, Ben Jagger, Lorenz Olbrich, Shobhan Dhir, Masafumi Shibata, Michael Lain, Robert Astbury, Nicholas Butcher, Mark Copley, Toshikazu Kotaka, Yuichi Aihara, Mauro Pasta

Thin Lithium Metal Anodes for Solid State Batteries: The Case for Scalable Evaporation

10.26434/chemrxiv-2024-cb78k

Posted

Sep 24, 2024

Elizabeth Murray, Anne Cruikshank, Zahra Husain, Nicola Lawrence

Lyme Disease Experience Survey 2024 - All Responses Summary Posters

Posted

Sep 24, 2024

10.33774/coe-2024-xtwgm

Status and Strategy in Russian Nuclear Policymaking

Spenser Warren

Posted

Sep 24, 2024

10.33774/apsa-2024-7hwm8

Popular Reactions to Donald Trump’s Indictments and Trials and their Implications for the 2024 Election

Gary Jacobson

Posted

Sep 24, 2024

10.33774/apsa-2024-swrmf

Мykhailo Pashko, Kiril Pashkov, Dmitriy Granat, Yurii Yagupolskii, Serhiy Ryabukhin, Dmytro Volochnyuk

Methyl chlorothioformate as a convenient reagent for the thionoesters synthesis

10.26434/chemrxiv-2024-s379b

Posted

Sep 24, 2024

Prevalence of the Diffusion Collision Model of Protein Folding In Vivo: A Mechanistic Analysis of the Acceleration of Protein Folding by Peptidyl-Prolyl Isomerase and the GroEL/ES Chaperonin System

Aatmaananda Nayak

10.26434/chemrxiv-2024-j2rvf

Posted

Sep 24, 2024

Frederike Monsees, Casimir Misiewicz, Mert Dalkilic, Diddo Diddens, Andreas Heuer

Enhancing the Stability and Performance of Ni-rich Cathode Materials through Ta Doping: A Combined Theoretical and Experimental Study

10.26434/chemrxiv-2024-x779l

Posted

Sep 24, 2024

Nutrition

Optimizing Plant Growth in Microgravity: A Biostimulant Growth Medium for Agriculture in Deep Space Environments

Rishit Katiyar

Posted

Sep 24, 2024

10.33774/coe-2024-kh0n5

Alexander Felix Kiefer, Christian Schütz, Colya Englisch, Dominik Kolling, Samira Speicher, Andreas Martin Kany, Roya Shafiei, Noran Abdel Wadood, Ahmad Aljohmani, Niklas Wirschem, Ravindra Jumde, Andreas Klein, Asfandyar Sikandar, Yu-Mi Park, Gabriela Krasteva-Christ, Daniela Yildiz, Ahmed Saad Abdelsamie, Katharina Rox, Jesko Köhnke, Rolf Müller, Markus Bischoff, Jörg Haupenthal, Anna Katharina Herta Hirsch

Dipeptidic Phosphonates: Potent Inhibitors of Pseudomonas aeruginosa Elastase B Showing Efficacy in a Murine Keratitis Model

10.26434/chemrxiv-2024-3mtxb

Posted

Sep 24, 2024

Daniel Willimetz, Andreas Erlebach, Christopher J. Heard, Lukáš Grajciar

27Al NMR chemical shifts in zeolite MFI via machine learning acceleration of structure sampling and shift prediction

10.26434/chemrxiv-2024-x7qx6

Posted

Sep 24, 2024

Andreas Vohburger, Marie Collin, Arnaud Bouissonnié, Torben Gädt

Citric, Tartaric, and Succinic Acid Effects on C3S Dissolution and the Nucleation Kinetics of C-S-H and Portlandite

10.26434/chemrxiv-2024-6pk1d

Posted

Sep 24, 2024

Song Xie, Ke Zuo, Silvia De Rubeis, Paolo Ruggerone, Paolo Carloni

Molecular basis of the CYFIP2 and NCKAP1 autism-linked variants in the WAVE regulatory complex

10.26434/chemrxiv-2024-x3sn8

Posted

Sep 24, 2024

Pekka Korhonen, Madasamy Thangamuthu, Evandro Castaldelli, Ander Diego-Lopez, Andreas Weilhard, Rob Clowes, James O'Shea, Andrea Laybourn, Anabel Lanterna

Selective Photocatalytic Reduction of CO2 to CH4 over NU-1000 Metal-Organic Frameworks

10.26434/chemrxiv-2024-rwkxv

Posted

Sep 24, 2024

Extractive American Politics: Considering Democratic Costs

Grace Reinke

Posted

Sep 24, 2024

10.33774/apsa-2024-mfnd1

Tools and Numbers: Movement Strategy and Women's Inclusion in Political Institutions

Karen Beckwith

Posted

Sep 24, 2024

10.33774/apsa-2024-q220v

The Narrowing Path: Rebel Leader Exile in the Age of Accountability

Myung Jung Kim

Posted

Sep 24, 2024

10.33774/apsa-2024-sjsmq

Pravalika Butreddy, Andrew Ritchhart, Qingpu Wang, Heather Job, Maria Sushko, Jaehun Chun, Elias Nakouzi

Flow-gel approach enables rapid extraction of pure magnesium phase from seawater

10.26434/chemrxiv-2024-l35x3

Posted

Sep 24, 2024

Chathuri J. Kombala, Agne Sveistyte, Tong Zhang, Leo J. Gorham, Gerard X. Lomas, John T. Melchior, Priscila M. Lalli, Vanessa L. Paurus, Stephen J. Callister, Aaron T. Wright, Vivian S. Lin

An integral activity-based protein profiling (IABPP) method for higher throughput determination of protein target sensitivity to small molecules

10.26434/chemrxiv-2024-jg6bn-v2

Posted

Sep 24, 2024

Pravalika Butreddy, Sebastian Mergelsberg, Jennifer N Jocz, Dongsheng Li, Venkateshkumar Prabhakaran, Andrew J Ritchhart, Chinmayee V Subban, Jon Kellar, Scott R Beeler, Sarah W Keenan, Elias Nakouzi

Selective dissolution and re-precipitation by pH cycling enables recovery of manganese from surface nodules

10.26434/chemrxiv-2024-w5wnb-v2

Posted

Sep 24, 2024

Hana Bunzen, Beliz Sertcan Gökmen, Andreas Kalytta-Mewes, Maciej Grzywa, Jakub Wojciechowski, Jürg Hutter, Anna-Sophia Hehn, Dirk Volkmer

Experimental and Theoretical Insights on Gas Trapping in MOFs: A Case Study with Noble Gases and MFU-4 Type MOFs

10.26434/chemrxiv-2024-vb8pj

Posted

Sep 24, 2024

Xinzhe Chen, Yabei Xu, Mingjie Wen, Kehui Pang, Shengkai Wang, Qingzhao Chu, Dongping Chen

EM-HyChem: Bridging molecular simulations and chemical reaction neural network-enabled approach to modelling energetic material chemistry

10.26434/chemrxiv-2024-jhsbk

Posted

Sep 24, 2024

Erika Paola Fonseca Parra, jihad Oumerri, Ana Arteni Andrea, Jean-Luc Six, Steven Peter Armes, khalid ferji

Neural Network-Driven Exploration of Solvophilic Block Size Effects in Polymerization-Induced Self-Assembly: From 2D To 3D Comprehensive Pseudo-Phase Diagram

10.26434/chemrxiv-2024-tphl1

Posted

Sep 24, 2024

Surapong Boonsom, Panisara Chamnansil, Sarote Boonseng, Tarapong Srisongkram

ToxSTK: A Multi-Target Toxicity Assessment Utilizing Molecular Structure and Stacking Ensemble Learning

10.26434/chemrxiv-2024-7grvl

Posted

Sep 24, 2024

Tushar Kale, Sayali Jagtap, Santosh Mhaske

NHC-Catalyzed Transition-Metal-Free Allylation of Aldehydes with MBH Carbonates and Their Michael Addition-Elimination-Cope Rearrangement Cascade: Facile Access to Sacubitril API

10.26434/chemrxiv-2024-44l9s

Posted

Sep 24, 2024

Samuel Boobier, Joseph Heeley, Thomas Gaertner, Jonathan Hirst

Interactive Knowledge-based Kernel PCA for Solvent Selection

10.26434/chemrxiv-2024-nv0r4

Posted

Sep 24, 2024

Fatemeh Haghighi, Luke Jesikiewicz, Corrinne Stahl, Jordan Nafie, Amanda Ortega-Vega, Peng Liu, Kay Brummond

DFT-Informed Stereo-Differentiating Asymmetric Rh(I)-Catalyzed Pauson−Khand Reaction: An Approach to Thapsigargin Stereoisomers.

10.26434/chemrxiv-2024-kk52g

Posted

Sep 24, 2024

Don Danilov, Brad Ganoe, Mark Munyi, James Shee

Capturing strong correlation in molecules with phaseless auxiliary-field quantum Monte Carlo using generalized Hartree Fock trial wavefunctions

10.26434/chemrxiv-2024-rmfkl

Posted

Sep 24, 2024

Yu Wang, Marcell Bogner, Jake Bailey, Lauren Grant, Milan Gembicky, Paul Richardson, Phil Baran

Anomeric Nitroamide Enabled, Cobalt Catalyzed Alkene Hydronitration

10.26434/chemrxiv-2024-s1mhh

Posted

Sep 24, 2024

Thomas Persinger, Michael Heaven, Richard Wilson

Uranyl Fluorescence in Acidic Solution: Quenching Effects by Tetramethylammonium (TMA+)

10.26434/chemrxiv-2024-9wc7v

Posted

Sep 24, 2024

Beck Miller, Ryan Cammarota, Matthew Sigman

SMARTpy: A Python Package for the Generation of Cavity-Specific Steric Molecular Descriptors and Applications to Diverse Systems

10.26434/chemrxiv-2024-gk1bp

Posted

Sep 24, 2024

Esben Svenningsen, Fatih Demir, Florian Kromm, Anna Rahimic, David Olagnier, Markus Rinschen, Thomas Poulsen

Chemoproteomic mapping of the N-terminal cysteinome

10.26434/chemrxiv-2024-4w549

Posted

Sep 24, 2024

Ángel Hernández-Mejías, Alexander Shimozono, Avijit Hazra, Sven Richter, Zhengjia Tong, Neil Langille, Kyle Quasdorf, Andrew Parsons, Matthew Sigman, Sarah Reisman

Ni-Catalyzed Enantioselective Desymmetrization: Development of Divergent Acyl and Decarbonylative Cross-Coupling Reactions

10.26434/chemrxiv-2024-3r6z4

Posted

Sep 24, 2024

Knowing Intentions: What Do You See—Actors or Actions?

Seok Joon Kim

Posted

Sep 24, 2024

10.33774/apsa-2024-wzx5c

The Mouse and Anaheim: Disney's Dominance of Policy

Jeffrey Kraus

Posted

Sep 24, 2024

10.33774/apsa-2024-tb3cm

Jesus Manuel Benitez Baleato, Erik Marino, Ana Sofia Ribeiro

Overcoming the AI Black Box in Political Analysis: A Hybrid Approach

Posted

Sep 24, 2024

10.33774/apsa-2024-w1m94

Worldviews and Judicial Decision Making at the U.S. Supreme Court

Paul Lohse

Posted

Sep 24, 2024

10.33774/apsa-2024-g89d1

Erik Marino, Jesus Manuel Benitez Baleato, Ana Sofia Ribeiro

AI for Political Analysis: Disinformation and the “Great Replacement” Theory

Posted

Sep 24, 2024

10.33774/apsa-2024-hrf6q

Rachel L. London, Juliane Glüge, Martin Scheringer

Multi-Criteria Decision Analysis for Assessments of Chemical Alternatives (MCDA-ACA)

10.26434/chemrxiv-2024-dmb5d-v3

Posted

Sep 25, 2024

Yuxing Wang, Meihuizi Jiang, Saif A. Haque, Sebastien Rochat

Polymer of Intrinsic Microporosity as Light Absorber for Luminescent Solar Concentrators

10.26434/chemrxiv-2023-brst4-v3

Posted

Sep 25, 2024

Josefine Sprachmann, Adam Petrik, Clara Douglas, Oliver Dumele

Site-Selective C–H Mono- and Bis-Thianthrenation of Polycyclic Aromatic Hydrocarbons

10.26434/chemrxiv-2024-4nh7w-v2

Posted

Sep 25, 2024

Simeon Ponou, Anja-Verena Mudring

Eu4Pd4Ge3 with the Nd4Rh4Ge3 Structure type: A Class of Transition metal Zintl phase with metal–metal bonding following the 18-n rule?

10.26434/chemrxiv-2024-hbcnw-v2

Posted

Sep 25, 2024

Nicholas Till, Muthukumar Ramanathan, Kang Yong Loh, Carolyn Bertozzi

Trogocytosis targeting chimeras (TrogoTACs) for targeted protein transfer

10.26434/chemrxiv-2024-k7kn2-v2

Posted

Sep 25, 2024

Rebecca Cummer, Garvit Bhatt, Lauren M. Finn, Bettina G. Keller, Bhushan Nagar, Bastien Castagner

Thiophosphate Bioisosteres of Inositol Hexakisphosphate Enhances Binding Affinity and Residence Time to Bacterial Virulence Factors.

10.26434/chemrxiv-2024-5058z-v2

Posted

Sep 25, 2024

James Sanders, October Owen, Brian Tran, Jeffrey Mosqueira, Michael Marty

Coupling online size exclusion chromatography with charge detection-mass spectrometry using Hadamard transform multiplexing

10.26434/chemrxiv-2024-h08x5-v2

Posted

Sep 25, 2024

Trupti Mohanty, Hasan M. Sayeed, Chitrasen Mohanty, Taylor D. Sparks

Comprehensive Insights into Global Mineral Commodities: Analysis, Visualization and Intelligent Assistance

10.26434/chemrxiv-2024-vg302-v2

Posted

Sep 25, 2024

Stanislav Piletsky, Erin Keblish, Daniel Heller

Controlled quantum well formation on DNA-wrapped carbon nanotubes via peroxide-mediated aryl diazonium reduction

10.26434/chemrxiv-2024-8f3jf-v3

Posted

Sep 25, 2024

Shyam Sathyamoorthi, Harshit Joshi, Abhijit Manna, Someshwar Nagamalla, Annu Thomas

A Catalytic, Enantioselective Sulfamate Tethered Aza-Michael Cyclization

10.26434/chemrxiv-2024-r5s7x

Posted

Sep 25, 2024

Jordan Merklin, Beau Sinardo, Max Majireck

Room temperature nucleophilic aromatic substitution of 2-halopyridinium ketene hemiaminals with sulfur nucleophiles

10.26434/chemrxiv-2024-1pzk5

Posted

Sep 25, 2024

Shih-Han Wang, Hongliang Xin, Luke Achenie, Kamal Choudhary

Examining Generalizability of AI Models for Catalysis

10.26434/chemrxiv-2024-hj733

Posted

Sep 25, 2024

Soocheta Jha, Nicole Javaly, Souradeep Basu, Theresa McCormick, David Stuart

Mechanistic analysis of N-arylation with diaryliodonium salts

10.26434/chemrxiv-2024-pn8m6

Posted

Sep 25, 2024

Zhihao Cui, Kassidy D. Aztergo, Jiseon Hwang, Anne C. Co

Kinetic analysis makes the impossible possible: measuring CO adsorption free energies on the active sites during CO2 electroreduction

10.26434/chemrxiv-2024-vxph3

Posted

Sep 25, 2024

Mihai Burai-Patrascu, Ophélie Rostaing, Matej Janežič, Antoine Moitessier, Suneel Kumar B. V. S., Joshua Pottel, Nicolas Moitessier

The Fourth CACHE Challenge – A Comprehensive Drug Discovery Workflow to Discover Potential Inhibitors of the Tyrosine Kinase Binding Domain of Cbl-b

10.26434/chemrxiv-2024-3nh4r

Posted

Sep 25, 2024

Xin Zheng, Igor L. Bolotin, Beria Tanriover, Kumuditha Rathnayake, Erik J. Askins, Jordi Cabana, Neal P. Mankad, Ksenija D. Glusac

Chlorination and Oxygenation of Carbon Electrodes for Covalent Attachment of Thiol-Terminated Molecules

10.26434/chemrxiv-2024-m9ss2

Posted

Sep 25, 2024

Kazuya Yoshida, Toshiaki Suzuki, Vasudevanpillai Biju, Yuta Takano

An Adaptable Blueprint for Non-Metal Near-Infrared Organic Photo-catalysts by Aromatic Sulfones

10.26434/chemrxiv-2024-g3wmn

Posted

Sep 25, 2024

Binayak Roy, Urbi Pal, Patrick Howlett, Douglas Macfarlane

A novel flame-retardant lithium fluoroborate salt for LNMO-graphite-based Li-ion batteries

10.26434/chemrxiv-2024-r26gn

Posted

Sep 25, 2024

Zetian Sun, Xiaohua Du, Xiaoqing Li, Xiangsheng Xu

Energy transfer mediated alkoxy radical generation: the construction of 1,6-linkage using bifunctional oxime esters

10.26434/chemrxiv-2024-d8ckr

Posted

Sep 25, 2024

Reaction Mechanism of 2-Amido-2-Aminoacetic Acid Formation From Iminoacetic Acid and Amide - A Comparative DFT Study

Georg Dazinger

10.26434/chemrxiv-2024-2x1kq

Posted

Sep 25, 2024

Joshua Kop, Carol Hua, Christopher J. Smedley

The Synthesis of Sulfonyl Fluoride Functionalized 2-Aminothiazoles using a Diversity Oriented Clicking Strategy

10.26434/chemrxiv-2024-5dmml

Posted

Sep 25, 2024

Oscar F. Laurent, Maria Letizia De Marco, Marco Faustini, Cédric Boissière, Claude Poleunis, Arnaud Delcorte, Damien P. Debecker

High entropy alloys: assessing atomic-scale mixing and surface passivation with time-of-flight secondary ion mass spectrometry

10.26434/chemrxiv-2024-gnlt0

Posted

Sep 25, 2024

Shubham Bansal, Binghe Wang

A Critical Factor in Reactive Oxygen Species (ROS) Studies: The Need to Understand the Chemistry of the Solvent Used

10.26434/chemrxiv-2024-mvvbc

Posted

Sep 25, 2024

Nafiseh Samiseresht, Gabriela Figueroa Miranda, Ankita Das, Kevin Graef, Dirk Mayer, Martin Rabe

Nano-phase separation and analyte binding in a SARS-CoV-2 biosensor investigated by nano-IR spectroscopy

10.26434/chemrxiv-2024-91n5s

Posted

Sep 25, 2024

Mehdi Soussi-Thérond, David Guarin, Aiky Razanahoera, Yongmin Zhang, Mathieu Baudin, Emeric Miclet, Nicolas Giraud, Daniel Abergel

Simultaneous observation of the anomerization and reaction rates of enzymatic dehydrogenation of Glucose-6-Phosphate

10.26434/chemrxiv-2024-8v1l3-v2

Posted

Sep 25, 2024

Costanza Borghesi, Roberto Bondi, Francesco Marchini, Claudia Fabiani, Loredana Latterini, Anna Laura Pisello, Ivano Eligio Castelli, Giacomo GIORGI

Optical Behaviour and Defect-dependent Spectral Design of Cerium-based Nanoceramics for Emerging Passive Radiative Cooling Technologies

10.26434/chemrxiv-2024-ppr19-v2

Posted

Sep 25, 2024

Jesus Manuel Benitez Baleato, Erik Marino, Renata Vieira

Overcoming the AI “Black Box” in Political Analysis: A Hybrid Approach

Posted

Sep 25, 2024

10.33774/apsa-2024-nkp42

Renhao Ye, Xinyang Gao, Xinyao Wang

“Man-Made” Natural Disaster: Impact of National Flood Detention Policy on Social Development in China

10.33774/apsa-2024-j5fm4-v2

Posted

Sep 25, 2024

Sungho V. Park, Lakshmi Bhai, Gahyun Annie Lee, Ah-Hyung A. Park, Lauren E. Marbella, Jonathan S. Owen

Steric Stabilization of Colloidal UiO-66 Nanocrystals with Oleylammonium Octadecylphosphonate

10.26434/chemrxiv-2024-8kh7m

Posted

Sep 25, 2024

Max Gäßler, Simon Hermann, Jens Friedland, Jakob Stahl, Lutz Mädler, Robert Güttel

Transient Kinetic Investigation of Chain Growth during CO Hydrogenation on Co/TiO2 under Fischer-Tropsch Conditions: Elemental Balance of Species Adsorbed at the Catalyst Surface

10.26434/chemrxiv-2024-6fcxp

Posted

Sep 25, 2024

Qiqige Qiqige, Edward Richmond, Rocco Paciello, Mathias Schelwies, Rylan Lundgren

Co(II)-Catalyzed Isomerization of Enals using Hydrogen Atom Transfer

10.26434/chemrxiv-2024-nrfzl

Posted

Sep 25, 2024

Yevhenii Morozov, Nestor Gisbert Quilis, Stefan Fossati, Laura de Laporte, Claudia Gusenbauer, Andreas Weber, Jose Luis Toca-Herrera, Fiona Wiesner (née Diehl), Ulrich Jonas, Jakub Dostalek

Plasmon-enhanced multiphoton polymer crosslinking for selective modification of plasmonic hotspots

10.26434/chemrxiv-2024-jl2jr

Posted

Sep 25, 2024

Yaqi Cheng, Muhammad Iskandar B. Salaman, Qixun Li, Chaolong Wei, Qilun Wang, Xuehu Ma, Bin Liu, Andrew Wong

Microenvironment tailoring for electrocatalytic CO2 reduction: Effects of interfacial structure on controlling activity and selectivity

10.26434/chemrxiv-2024-bx32v

Posted

Sep 25, 2024

Michael Bielecki, Molhm Nassir, Hayden A. Sharma, Nathanyal J. Truax, Nicholas Raheja, Ty M. Thompson, Tamara El-Hayek Ewing, Bruno Melillo, Benjamin F. Cravatt, Phil S. Baran

Simple, Enantiocontrolled Azetidine Library Synthesis via Strain Release Functionalization of 1-Azabicyclobutanes

10.26434/chemrxiv-2024-cmvd4

Posted

Sep 25, 2024

Public Opinion of LGB Supreme Court Nominees

Maya Fitch

Posted

Sep 25, 2024

10.33774/apsa-2024-21bj5

Per-Olof Åstrand, Rodrigo de Miguel

Lattice Models in Molecular Thermodynamics: Merging the Configurational and Translational Entropies

10.26434/chemrxiv-2024-3wlrd-v5

Posted

Sep 26, 2024

Carmen Eugenia Rojas-Torres, Pablo Hegel

Experimental Analysis of Heat Transfer Coefficients in CO2 and CO2 + Isobutane Mixtures for Organic Rankine Cycle Engines

10.26434/chemrxiv-2024-6ck3j-v2

Posted

Sep 26, 2024

Ingrid de Almeida Ribeiro, Debdas Dhabal, Rajat Kumar, Suvo Banik, Subramanian Sankaranarayanan, Valeria Molinero

Medium-Density Amorphous Ice Unveils Shear Rate as a New Dimension in Water’s Phase Diagram

10.26434/chemrxiv-2024-7knv8-v2

Posted

Sep 26, 2024

Carlos Chu-Jon, Eli Martinez, Andressa Bertolazzo, Suvo Banik, Jeffrey Rimer, Subramanian Sankaranarayanan, Valeria Molinero

Interzeolite transformation through cross-nucleation: A molecular mechanism for seed-assisted synthesis

10.26434/chemrxiv-2024-jtcbd-v2

Posted

Sep 26, 2024

Joseph Treacy, Elaine Chao, Grace Kunkel, Thomas Louis-Goff, James Tilden, Alexander Spokoyny, Heather Maynard, Kendall Houk

Electronic Effects of Bidentate P,N-Ligands on the Elementary Steps of Au(I)/Au(III) Reactions Relevant to Cross-Coupling Chemistry

10.26434/chemrxiv-2024-7f11b

Posted

Sep 26, 2024

David Silva-Brea, Julen Aduriz-Arrizabalaga, David De Sancho, Xabier López

Designing Mimosine-Containing Peptides as Efficient Metal Chelators: Insights from Molecular Dynamics and Quantum Calculations

10.26434/chemrxiv-2024-m751k

Posted

Sep 26, 2024

Daniel Axthammer, Tobias Lange, Joachim Dengler, Torben Gaedt

Early Hydration and Viscoelastic Properties of Tricalcium Aluminate Pastes Influenced by Soluble Sodium Salts

10.26434/chemrxiv-2024-fn0r2

Posted

Sep 26, 2024

Alejandro Torregrosa-Chinillach, Alessandra Gritti, Elisa Brambilla, Dominica Del Grosso, Elison Lepore, Diego A. Alonso, Rafael Chinchilla, Giorgio Abbiati, Matteo Tiecco

Double-Brønsted Acidic Deep Eutectic Solvents and Their Applications as Solvents and Catalysts in Chemical Transformations

10.26434/chemrxiv-2024-lls3m

Posted

Sep 26, 2024

Computational Methods in Drug Discovery and Development

Sadettin Yavuz Ugurlu

10.26434/chemrxiv-2024-ltmj2

Posted

Sep 26, 2024

Will Clarke, Petra Cameron, Giles Richardson

The effects of device degradation on perovskite solar cell impedance spectra: insights from a drift-diffusion model

10.26434/chemrxiv-2024-2tbm9

Posted

Sep 26, 2024

Bidhan Ghosh, Prakash Kafle, Rishav Mukherjee, Randall Welles, Deacon Herndon, Kenneth Nicholas, Yihan Shao, Indrajeet Sharma

Sulfenylnitrene-Mediated Nitrogen-Atom Insertion into Pyrroles, Indoles, and Imidazoles

10.26434/chemrxiv-2024-f80wf-v2

Posted

Sep 26, 2024

Towa Asano, Yuki Nakanishi, Shoichi Sugita, Kentaro Okano, Hirokazu Narita, Tohru Kobayashi, Tsuyoshi Yaita, Atsunori Mori

A concise synthesis of multiply fused phenanthroline diamide (fused-PTDA) by palladium-catalyzed intramolecular C–H arylation. Highly efficient and selective extraction performance of fused-PTDA toward early lanthanides

10.26434/chemrxiv-2024-8lpmz

Posted

Sep 26, 2024

Atsushi Tahara, Shogo Yashiro, Toshio Hokajo, Shinji Kudo, Yuta Yoshizaki, Tomohiro Konno, Takayuki Doi

Stereoselective Polycondensation of Levoglucosenone leading to Water-Degradable Biopolymers

10.26434/chemrxiv-2024-qdjfn

Posted

Sep 26, 2024

Investigation of metallacages for cisplatin encapsulation using Density Functional Theory (DFT)

Sadettin Yavuz Ugurlu

10.26434/chemrxiv-2024-mp5z0

Posted

Sep 26, 2024

Anuja Tripathi, Mark Styczynski

Copper nanocubes as low-cost enzyme mimics in a sarcosine-sensing reaction cascade

10.26434/chemrxiv-2024-b1w1r

Posted

Sep 26, 2024

Dan-Na Wu, Jian Sheng, Hai-Gang Lu, Si-Dian Li, Yan Li

100-Gram Batch Production of Graphene Using High-Power Rapid Joule Heating Method

10.26434/chemrxiv-2024-0c0lk

Posted

Sep 26, 2024

Yun-Yu Xu, Xue-Lian Jiang, Jia-Lu Chai, Shu-Juan Qiu, Juan He, Gan Xu, Jia Wei, Qiu-Xiang Yu, Hong-Ying Zhang, Yue Li, Xiao-Wen Zhang, Guo-Liang Cao, Yong Li, Yun-Shu Cui, Cong-Qiao Xu, Jun Li, Xu-Dong Chen

Controlled Synthesis of Cluster Mimics of Nitrogenase FeMo-cofactor

10.26434/chemrxiv-2024-sk258

Posted

Sep 26, 2024

Passive Aggression: Explaining The Strategic Logic of Military Attrition

Deye Li

Posted

Sep 26, 2024

10.33774/apsa-2024-gppzm

Aya Fujiwara, Sunao Nakanowatari, Yohei Cho, Toshiaki Taniike

Acquiring and Transferring Comprehensive Catalyst Knowledge through Integrated High-Throughput Experimentation and Automatic Feature Engineering

10.26434/chemrxiv-2024-tz0fg

Posted

Sep 26, 2024

Statecraft through State-directed Private Governance: Regulatory Guidelines Improve Business Sanction Compliance in Cross-border M&As

Zhizhen Lu

Posted

Sep 26, 2024

10.33774/apsa-2024-kp43s

Second-Tier Great Power in Power Transition: Japan’s Trade Policy in East Asia

Min Shu

Posted

Sep 26, 2024

10.33774/apsa-2024-fdm1n

Zhi-hao Shang, Yihao Hu, Jingjing Wu

Concise Synthesis of 5α,6-Dihydroveragranine A and Veragranines A and B

10.26434/chemrxiv-2024-pr2tr

Posted

Sep 26, 2024

Lessons from the United States: Improving Accreditation and Quality Assurance in CEMAC Higher Education

Ransom Tanyu Ngenge

Posted

Sep 26, 2024

10.33774/apsa-2024-98l7d

Machine Learning Applications in Drug Discovery

Sadettin Y Ugurlu

10.26434/chemrxiv-2024-1zwr6-v2

Posted

Sep 26, 2024

Hannes Stagge, Robert Güttel

The Findability of Microkinetic Parameters by Heterogeneous Chemical Reaction Neural Networks (hCRNNs)

10.26434/chemrxiv-2024-21kf0

Posted

Sep 26, 2024

Niklas von Rhein, Vera Krewald

The temperature dependence of Mössbauer quadrupole splitting values: a quantum chemical analysis

10.26434/chemrxiv-2024-vv8md

Posted

Sep 26, 2024

Antonio Monari, Aurianne Rainot, Luisa D'Anna, Alessio Terenzi, Raphael Rouget, stephanie Grandemange, Benoit Piro, Giampaolo Barone, Florent Barbault

In Silico Design of a Solution-Gated Graphene Transistor Sensor for the Efficient Detection of Guanine Quadruplexes

10.26434/chemrxiv-2024-ddb09

Posted

Sep 26, 2024

Álvaro Valdés-Maqueda, Manuel Plaza, Carlos Valdés

Photochemical Carboborylation and Three-component Difunctionalization of α,β-unsaturated Ketones with Boronic Acids via Tosylhydrazones

10.26434/chemrxiv-2024-c2lmk

Posted

Sep 26, 2024

Samuel R. Lee, Nattamai Bhuvanesh, Oleg V. Ozerov

Iridium Complexes of a Bis(N-pyrrolyl)boryl/Bis(phosphine) PBP Pincer Ligand

10.26434/chemrxiv-2024-pg8rc

Posted

Sep 26, 2024

Tarannum Tasnim, Negin Shafiei, Katelyn Laminack, Bailey Robertson, Nash Nevels, Christopher Fennell, Spencer Pitre

A Dual Catalytic Approach for the Halogen-Bonding-Mediated Reductive Cleavage of α-Bromodifluoroesters and Amides

10.26434/chemrxiv-2024-jncx1

Posted

Sep 26, 2024

Samuel R. Lee, Natchayatorn Keawkla, R. Noah Sladek, Nattamai Bhuvanesh, Panida Surawatanawong, Oleg V. Ozerov

Impact of Halide (Cl vs I) Identity on the Migration of Ligands between Al and M (M = Co, Rh, Ir) in PAlP Pincer Complexes

10.26434/chemrxiv-2024-ngv4j

Posted

Sep 26, 2024

Tian Lan, Logan Fenimore, John Torkelson

Effect of Confinement on the Translational Diffusivity of Small Dye Molecules in Thin Polystyrene Films and Its Connection to Tg-Confinement and Fragility-Confinement Effects

10.26434/chemrxiv-2024-z7nw5

Posted

Sep 26, 2024

Vinh T. Nguyen, R. Noah Sladek, Yihan Cao, Nattamai Bhuvanesh, Jia Zhou, Oleg V. Ozerov

C-H Activation of Pyridines by (PBP)Ir Complexes: Elucidation of Boryl-Directed C-H Oxidative Addition to Ir, and Discovery of Transition Metal-Assisted Reductive Elimination from Boron

10.26434/chemrxiv-2024-mpg8m

Posted

Sep 26, 2024

Andrea Darù, John Anderson, Davide Proserpio, Laura Gagliardi

Symmetry is the key to the design of reticular frameworks

10.26434/chemrxiv-2024-37wks

Posted

Sep 26, 2024

Convenient Lanthanum-Mediated Synthesis of Bulky tert-Alkyl Amines from Nitriles

Alex Speed, Emily Burke

10.26434/chemrxiv-2024-k0l35

Posted

Sep 26, 2024

Economics

Takeshi Chang, Sepehr Khavari

Global Comparison of Real Estate Investment Trusts: Performance and Resilience Throughout the COVID-19 Pandemic

Posted

Sep 26, 2024

10.33774/coe-2024-gn6t0

Total Synthesis of Three Classes of Ring C-seco Limonoids

Shicheng Jin, Dawei Ma

10.26434/chemrxiv-2024-dscn9

Posted

Sep 27, 2024

Aaron Torres-Huerta, Karolis Norvaisa, Alessio Cataldo, Pierre-Olivier Tits, Priyanka Rani Panda, Christopher M. Dias, Anthony P. Davis, Samantha E. Bodman, Stephen J. Butler, Hennie Valkenier

Structural requirements of synthetic anionophores for inorganic phosphate and phosphate esters

10.26434/chemrxiv-2024-vld8w

Posted

Sep 27, 2024

Abraham Alemayehu, Nicholas Settineri, Arianna Lanza, Abhik Ghosh

Chalcophilic Interactions: Rhenium-Sulfido and -Dithiolato Corroles

10.26434/chemrxiv-2024-z0sws

Posted

Sep 27, 2024

R. Juergen Behm, Axel Groß

The Chemistry of Bimetallic Surfaces - Evolution of an Atomic-scale Picture

10.26434/chemrxiv-2024-m1dzh

Posted

Sep 27, 2024

Jovanny J. Contreras, Samuel R. Lee, Vinh T. Nguyen, Thomas Suarez, Derek W. Leong, Nattamai Bhuvanesh, Miles W. Johnson, Oleg V. Ozerov

Reversing the Synthesis Logic in the Preparation of Pincer Complexes

10.26434/chemrxiv-2024-thxqh

Posted

Sep 27, 2024

Rajeev Kumar Rai, Rui Serra-Maia, Yingjie Shi, Peter Psarras, Aleksandra Vojvodic, Eric A. Stach

Enhanced mineral carbonation on surface functionalized MgO derived from mine tailings

10.26434/chemrxiv-2024-ghclf-v2

Posted

Sep 27, 2024

Lisa Hua, Marcello Solomon, Deanna D'Alessandro, William Donald

Metal-Organic Frameworks for the Trace Multiplexed Adsorption and Quantitation of 50 Per- and Polyfluoroalkyl Substances

10.26434/chemrxiv-2024-qkvkd-v2

Posted

Sep 27, 2024

Ashim Nandi, Mojgan Asadi, Aoxuan Zhang, Zhen T. Chu, Arieh Warshel

Mechanistic Insights into Nitrile and Alkyne Covalent Inhibitors of the SARS-CoV-2 Main Protease

10.26434/chemrxiv-2024-c3vxj-v2

Posted

Sep 27, 2024

Chonghuan Zhang, Qianghua Lin, Hao Deng, Chenxi Yang, Yaxian Kong, Zhunzhun Yu, Kuangbiao Liao

Intermediate Knowledge Enhanced the Performance of N-Amide Coupling Yield Prediction Model

10.26434/chemrxiv-2024-tzsnq-v2

Posted

Sep 27, 2024

Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva, Gregory Cordeiro Fonseca, Ilyes Batatia, Nicholas J. Browning, Stefan Chmiela, Mengnan Cui, J. Thorben Frank, Stefan Heinen, Bing Huang, Silvan Käser, Adil Kabylda, Danish Khan, Carolin Müller, Alastair J. A. Price, Kai Riedmiller, Kai Töpfer, Tsz Wai Ko, Markus Meuwly, Matthias Rupp, Gabor Csanyi, O. Anatole von Lilienfeld, Johannes T. Margraf, Klaus-Robert Müller, Alexandre Tkatchenko

Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Model Analysis in the TEA Challenge 2023

10.26434/chemrxiv-2024-ctdm3

Posted

Sep 27, 2024

Kaiyue Zhao, Mingchuan Luo, Yongfan Zhang, Xiaoxia Chang, Bingjun Xu

Coupled Cation-Electron Transfer at Pt(111)/Perfluoro-Sulfonic Acid Ionomer Interface and Kinetic impact on the Oxygen Reduction Reaction

10.26434/chemrxiv-2024-zkq0d

Posted

Sep 27, 2024

Stephan Freitag, Maximilian Anlanger, Maximilian Lippl, Klemens Mechtler, Elisabeth Reiter, Heinrich Grausgruber, Rudolf Krska

Simplifying Wheat Quality Assessment: Using Near-Infrared Spectroscopy and Analysis of Variance Simultaneous Component Analysis to Study Regional and Annual Effects

10.26434/chemrxiv-2024-9g449-v2

Posted

Sep 27, 2024

Francesca Pompei, Elison Lepore, Alejandro Torregrosa-Chinillach, Francesco Catalini, Diego A. Alonso, Rafael Chinchilla, Serena Gabrielli, Cinzia Mannozzi, Sauro Vittori, Matteo Tiecco

The glycerol/water mixture is an effective Deep Eutectic Solvent for the extractions from food waste matrixes

10.26434/chemrxiv-2024-1d751-v2

Posted

Sep 27, 2024

Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin, Gregory Cordeiro Fonseca, Ilyes Batatia, Nicholas J. Browning, Stefan Chmiela, Mengnan Cui, J. Thorben Frank, Stefan Heinen, Bing Huang, Silvan Käser, Adil Kabylda, Danish Khan, Carolin Müller, Alastair J. A. Price, Kai Riedmiller, Kai Töpfer, Tsz Wai Ko, Markus Meuwly, Matthias Rupp, Gabor Csanyi, O. Anatole von Lilienfeld, Johannes T. Margraf, Klaus-Robert Müller, Alexandre Tkatchenko

Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Molecular Dynamics in the TEA Challenge 2023

10.26434/chemrxiv-2024-jhm5l

Posted

Sep 27, 2024

Seiya Ishizawa, Chiamaka Uzoewulu, Yume Iwakura, Anuja Koirala, Shinichi Sato, Jun Ohata

Catalytic Serine Labeling in Nonaqueous, Acidic Media

10.26434/chemrxiv-2024-hn2m6

Posted

Sep 27, 2024

Patricio Castillo, Bryan J. Foley, Samuel R. Lee, Billy J. McCulloch, Nattamai Bhuvanesh, Oleg V. Ozerov

Synthesis of Os Hydride Complexes Supported by the Diarylamido/Bis(phosphine) PNP Ligand and Attempts at Using (PNP)Ru and (PNP)Os Complexes in C-H Borylation Catalysis

10.26434/chemrxiv-2024-rm6lk

Posted

Sep 27, 2024

Unveiling the Impact of Impurity Phases on the Electrochemical Performance of Cobalt-Free Analogs of (Mg0.2Co0.2Ni0.2Cu0.2Zn0.2)O as anode for Lithium-ion Batteries

Modeste Tegomoh, Anne Co

10.26434/chemrxiv-2024-mdldd

Posted

Sep 27, 2024

Man Luo, Zikai Xie, Huirong Li, Baicheng Zhang, Jiaqi Cao, Yan Huang, Qing Zhu, Linjiang Chen, Jun Jiang, Yi Luo

Physics-informed dual-objective optimization of high-entropy-alloy nanozymes by a robotic AI chemist

10.26434/chemrxiv-2024-mbk38

Posted

Sep 27, 2024

Modeste Tegomoh, Kug-Seung Lee, Anne Co

Composition Variation Reveals the Non-Ideal Mixing of Components in (Mg0.2Co0.2Ni0.2Cu0.2Zn0.2)O and the Benefits of this Variation in Sodium Ion-Battery

10.26434/chemrxiv-2024-0kztt

Posted

Sep 27, 2024

Adedeji Adebukola Adelodun, Mohsen Rezaei, Siamak Ardkapan, Nan Normann Jakobsen, Matthew Johnson

Impact of Sensor Placement on Indoor Air Quality Monitoring: A Comparative Analysis

10.26434/chemrxiv-2024-3d1rj

Posted

Sep 27, 2024

Matthew S. Johnson, Hao-Wei Pang, Anna C. Doner, William H. Green, Judit Zador

PySIDT: Subgraph Isomorphic Decision Trees for Molecular Property Prediction

10.26434/chemrxiv-2024-vbh8g

Posted

Sep 27, 2024

Philipp Schatz, Weiqin Xu, Sebastian Rynek, Leon Maser, Niels Heise, Olaf Fuhr, Dieter Fenske, Haleh Hashemi Haeri, Dariush Hinderberger, Matthias Vogt, Robert Langer

Carbon-Centered Reactivity in Carbodiphosphorane-Based Ligands Allowing for Redox-Non-Innocent Ligand-Ligand Cooperative- and Catalytic Dual Bond-Activation

10.26434/chemrxiv-2024-0h6rl

Posted

Sep 27, 2024

Ben Tresco, Kelvin Wu, Antonio Ramkissoon, Elena Aleksandrova, Michael Purdy, Dominic See, Richard Liu, Yury Polikanov, Andrew Myers

Discovery of a broad-spectrum, fluorinated macrobicyclic antibiotic through chemical synthesis

10.26434/chemrxiv-2024-llv6q

Posted

Sep 27, 2024

Heui Beom Lee, Nicholas Ciolkowski, Mackenzie Field, David Marchiori, R. David Britt, Michael T. Green, Jonathan Rittle

In Crystallo O2 Cleavage at a Preorganized Triiron Cluster

10.26434/chemrxiv-2024-4rrdw

Posted

Sep 27, 2024

Jingyun Wu, Michael Stevens, Michael Gardiner, Annie Colebatch

Ruthenium, copper and ruthenium-copper complexes of an unsymmetrical phosphino pyridyl 1,8-naphthyridine PNNN ligand

10.26434/chemrxiv-2024-3t2lk

Posted

Sep 27, 2024

New Equation for Gas-Liquid/Solid Phase Transition

Henmei Ni, Bing Zhu

10.26434/chemrxiv-2022-5m718-v5

Posted

Sep 27, 2024

Ferran Nadal-Bufi, Raj V. Nithun, Fabio de Moliner, Xiaoxi Lin, Shaimaa Habiballah, Muhammad Jbara, Marc Vendrell

Late-stage Minimal Labeling of Peptides and Proteins for Real-time Imaging of Cellular Trafficking

10.26434/chemrxiv-2024-d7bj8

Posted

Sep 27, 2024

Xiliang Lian, Damien Dambournet, Mathieu Salanne

Stereoactive Electron Lone Pairs Facilitate Fluoride Ion Diffusion in Tetragonal-BaSnF4

10.26434/chemrxiv-2024-28mwt

Posted

Sep 27, 2024

Florian Luttringer, Matthieu Lavayssiere, Enita Rastoder, Nikita Salov, Tristan Gravelet, Francois Quintin, Julien Pinaud, Frédéric Lamaty, Xavier Bantreil

Mechanosynthesis of ruthenium trisbipyridyl complexes and application in photoredox catalysis in a ball-mill

10.26434/chemrxiv-2024-crdrh

Posted

Sep 27, 2024

First Principles Optoelectronic Calculations of BeSeO3

Abdullahi isse

10.26434/chemrxiv-2024-mxvlp

Posted

Sep 27, 2024

Melanie Heghmanns, Shalini Yadav, Sergius Boschmann, Victor Selve, Astrit Veliju, Claudia Brocks, Thomas Happe, Dimitrios Pantazis, Müge Kasanmascheff

Distinct Valence States of the [4Fe4S] Cluster Revealed in the Hydrogenase CrHydA1

10.26434/chemrxiv-2024-zrq0s

Posted

Sep 27, 2024

The Impact of Public Opinion and Advocacy on Public Policy

Paul Burstein

Posted

Sep 27, 2024

10.33774/apsa-2024-d2hd2

Psychiatry

Kirill Glavatskiy, Ian Hickie, Jacob Crouse, Ante Prodan, Jan Scott, Kathleen Merikangas, Joanne Carpenter, William Capon, Mathew Varidel, Elizabeth Scott, Frank Iorfino

The effect of sleep-wake behaviors on the onset of mania in youth: a computational agent-based model.

Version undefined posted 29 September 2024

Posted

Sep 29, 2024

10.33774/coe-2024-3ptr1

SAIKAT MUKHERJEE, Yorick Lassmann, Rafael S. Mattos, Baptiste Demoulin, Basile F. E. Curchod, Mario Barbatti

Assessing Nonadiabatic Dynamics Methods in Long Timescales

10.26434/chemrxiv-2024-j7xxl

Posted

Sep 30, 2024

Jonas Bentrup, Rahel Weiß, Felix Zeller, Tim Neudecker

Achieving Pressure Consistency in Mechanochemical Simulations of Chemical Reactions Under Pressure

10.26434/chemrxiv-2024-fgzjq

Posted

Sep 30, 2024

Cheng Chen, Ivan N. Myasnyanko, Mikhail S. Baranov, Chong Fang

Electronic and Steric Tuning of Excited State Proton Transfer in Water

10.26434/chemrxiv-2024-9xhvf

Posted

Sep 30, 2024

Huseyin Sener Sen, Bora Karasulu

Atomic-level Insights into the Highly Conductive Lithium Thiophosphate Solid Electrolytes with Exceptional Stability Against Lithium Metal

10.26434/chemrxiv-2024-v03fq

Posted

Sep 30, 2024

Caio Miliante, Storm Gourley, Brian Adams, Drew Higgins, Oleg Rubel

Roadmap for the development of transition metal oxide cathodes for rechargeable zinc-ion batteries

10.26434/chemrxiv-2024-n1qmz-v3

Posted

Sep 30, 2024

Otome Okoromoba, Ting-An Chen, Eun Sil Jang, Claire McMullin, Thomas Cundari, Timothy H. Warren

Copper Catalyzed sp3 C-H α-Acetylation

10.26434/chemrxiv-2024-m26t2-v2

Posted

Sep 30, 2024

Chang Liu, Qi Zhong, Kai Kang, Rui Ma, Chen Song

Asymmetrical Calcium Ions Induced Stress and Remodeling in Lipid Bilayer Membranes

10.26434/chemrxiv-2022-24qv4-v2

Posted

Sep 30, 2024

Roman Kapaev, Nicole Leifer, Alagar Raja Kottaichamy, Amit Ohayon, Langyuan Wu, Menny Shalom, Malachi Noked

Formation of H2O2 in Near-Neutral Zn-air Batteries Enables Efficient Oxygen Evolution Reaction

10.26434/chemrxiv-2024-3k21g-v2

Posted

Sep 30, 2024

Etienne Palos, Ethan F. Bull-Vulpe, Xuanyu Zhu, Henry Agnew, Shreya Gupta, Suman Saha, Francesco Paesani

Current Status of the MB-pol Data-Driven Many-Body Potential for Predictive Simulations of Water Across Different Phases

10.26434/chemrxiv-2024-9r9gn-v2

Posted

Sep 30, 2024

Robert Nißler, Quanyu Zhou, Björn Hill, Sabrina Thomä, Lukas Gerken, Aurelio Borzi, Kevin Roost, Benjamin Mächler, Xosé Luís Deán-Ben, Antonia Neels, Sebastian Kruss, Daniel Razansky, Inge Herrmann

Unlocking NIR-II Photoluminescence in 2D Copper Tetrasilicate Nanosheets Through Flame Spray Pyrolysis

10.26434/chemrxiv-2024-q2r0f

Posted

Sep 30, 2024

Hisham Idriss, Samuel Albert, Changwoo Bae, Ludivine Poyac, Philippe Gerbier, Oriane Bonhomme, Josephine Lai Kee Him, Aurelie Ancelin, Sébastien Richeter, Indraneel Sen, Karl Leo, Anne-Laure Biance, Sébastien CLEMENT

Molecular assemblies of amphiphilic oligothiophenes at the air-water interface

10.26434/chemrxiv-2024-dc59q

Posted

Sep 30, 2024

William Poole, Marley Samways, Davide Branduardi, Richard Taylor, Marcel Verdonk, Jonathan Essex

Accelerating Fragment Based Drug Discovery using Grand Canonical Nonequilibrium Candidate Monte Carlo

10.26434/chemrxiv-2024-q9l5z

Posted

Sep 30, 2024

Jennifer Klaucke, Navutheya Sinthathurai, Christopher Golz, Oliver Townrow, Malte Fischer

Carbene-destabilised stannylenes: Accessing selective C(sp3)–H bond scission at the steric limit

10.26434/chemrxiv-2024-4lzc5

Posted

Sep 30, 2024

Anthony Spearman, Eric Lin, Emily Mobley, Andriy Chmyrov, Daniel Turner, Cesar Garcia, Kyle Bui, Christopher Rowlands, Oliver Bruns, Ellen Sletten

High-Resolution Multicolor Shortwave Infrared In Vivo Imaging with Chromenylium Nonamethine Dyes

10.26434/chemrxiv-2024-dxdr9

Posted

Sep 30, 2024

Marco Bertolini, Lorena Mendive-Tapia, Utsa Karmakar, Marc Vendrell

Chemo-Click: Receptor-Controlled and Bioorthogonal Chemokine Ligation for Real-time Imaging of Drug-Resistant Leukemic B Cells

10.26434/chemrxiv-2024-x08ph

Posted

Sep 30, 2024

Laura Rodríguez-Fernández, Iván Lavandera, Manuel Plaza, Vicente Gotor-Fernández

Stereoselective Access to Gamma,Gamma-Dihalo-Beta-enols from Alkynes via Photobiocatalysis

10.26434/chemrxiv-2024-683hl

Posted

Sep 30, 2024

Zhengyu Deng, Elizabeth R. Gillies

Self-Immolative Polymers from Bio-based Monomers via Thiol−Ene Click Chemistry

10.26434/chemrxiv-2024-xhrbz

Posted

Sep 30, 2024

Timea Kolozsvary, Phillip Kohl, Tianyu Li, David Gillespie, Youli Li, Ben McDonald

Precise Synthesis of Ultra-Dense Bottlebrush Polymers Unearths Unique Trends in Lyotropic Ordering

10.26434/chemrxiv-2024-lxg2w

Posted

Sep 30, 2024

Gokhan Demirci, Malwina Niedźwiedź, Magdalena Charęza, Radosław Drozd, Miroslawa El Fray

Hydrolytic and Enzymatic Degradation of Photocurable Polymer Networks Comprising Ester-Urethane Building Block, PEGylated Fibrinogen and Catechol Units

10.26434/chemrxiv-2024-qsf9h

Posted

Sep 30, 2024

Srikanth Nayak, Richard E. Wilson

Spectroscopic investigation of cation effects in U(VI)-NO3- complexation in aqueous solutions

10.26434/chemrxiv-2024-hh0d3

Posted

Sep 30, 2024

Junlong Li, Junhong Li, Jun Li

Full-dimensional accurate potential energy surface and dynamics for the unimolecular isomerization reaction CH3NC ⇌ CH3CN

10.26434/chemrxiv-2024-gcb0d

Posted

Sep 30, 2024

Brandon Schramm, Montgomery Gray, John Herbert

Substituent and heteroatom effects on parallel-displaced pi-stacking: Further evidence that short-range pi-pi interactions are not under electrostatic control

10.26434/chemrxiv-2024-5k2b8-v2

Posted

Sep 30, 2024

Peter K Weber, Marc Debliqui, Céline Defouilloy, Xavier Mayali, Ming-Chang Liu, Rachel Hestrin, Jennifer Pett-Ridge, Rhona Stuart, Megan Morris, Christina Ramon, Danielle M Jorgens, Reena Zalpuri, Laurent Arnoldi, Jérôme Farcy, Nicolas Saquet, Sarah Vitcher Fichou, Ludovic Renaud, Aurélien Thomen

The NanoSIMS-HR: the next generation of high spatial resolution dynamic SIMS

10.26434/chemrxiv-2024-x1hfm-v3

Posted

Sep 30, 2024

Tieu-Long Phan, Klaus Weinbauer, Marcos E. Gonzalez Laffitte, Yingjie Pan, Daniel Merkle, Jakob L. Andersen, Rolf Fagerberg, Christoph Flamm, Peter F. Stadler

SynTemp: Efficient Extraction of Graph-Based Reaction Rules from Large-Scale Reaction Databases

10.26434/chemrxiv-2024-tkm36

Posted

Sep 30, 2024

Daniel B. McHaffie, Zachery W. B. Iton, Jadon M. Bienz, Forrest A. L. Laskowski, Kimberly A. See

Classification of (Dis)ordered Structures as Superionic Lithium Conductors

10.26434/chemrxiv-2024-712r9

Posted

Sep 30, 2024

Florian Mayer, Dominik Laa, Thomas Koch, Jürgen Stampfl, Robert Liska, Katharina Ehrmann

Rapid 3D printing of unlayered, tough epoxy-alcohol resins with late gel points via dual-color curing technology

10.26434/chemrxiv-2024-9k7q2

Posted

Sep 30, 2024

Jialin Li, Chuanping Zhao, Yuanyuan Liu, Wanjun Zhang, Weijie Qin

An Ultra-Deep Quantitative Plasma Proteomics Strategy

10.26434/chemrxiv-2024-lcmhl

Posted

Sep 30, 2024

Sum of Series involving Anna Iota Function and Riemann Zeta Function

Earth and Environmental Sciences

Posted

Sep 30, 2024

10.33774/coe-2024-v0vgb

Rahil Patel, Srivarun Kankanala, Qinmin Zheng

Towards Sustainable Water Management: An Attention-Based Approach to Short-Term Snow Water Equivalent Forecasting

Posted

Sep 30, 2024

10.33774/coe-2024-n8jn0

Computation of Geometric Series on Relation between Dirichlet Eta Function and Riemann Zeta Function

Posted

Sep 30, 2024

10.33774/coe-2024-tbmlz

Euler Perfect Box

Taha Muhammad

10.33774/coe-2024-47ld9-v3

Posted

Sep 30, 2024

Earth and Environmental Sciences

How to search for meteorites, and what to do when we find it.

Jose Garcia

Earth and Environmental Sciences

Posted

Sep 30, 2024

10.33774/coe-2024-hnj0b

Classification of ELEMAY 001, the fourth IIIAB-anomalous meteorite ever known.

Jose Garcia

Posted

Sep 30, 2024

10.33774/coe-2024-s2r57

Engineering

Nosaibeh Nosrati-Ghods, Savanha De Kock, Bosibori Mosongo, Lara Dixon, Fynn Kiley, Mark Howells

Long-Term Forecasting: A MAED Application for Residential Water Heating in South Africa (2024–2040)