Archive | Cambridge Open Engage

Juliana Bueno, Walter Carnielli, Juan Carlos Agudelo-Agudelo

Towards the development of paraconsistent epistemology

Posted

Apr 01, 2025

10.33774/coe-2025-zc5d3

Jeffrey Einkauf, Diāna Stamberga, Nabarupa Bhattacharjee, Ying-Zhong Ma, Bryantsev Vyacheslav, Radu Custelcean

Photo-DAC: Ambient temperature direct air capture light-driven by a photobase

10.26434/chemrxiv-2025-w461z

Posted

Apr 01, 2025

David Picconi, Maximilian F. S. J. Menger, Elisa Palacino-González, Edison X. Salazar, Shirin Faraji

Implementation of quantum-classical mapping approaches for nonadiabatic molecular dynamics in the PySurf package

10.26434/chemrxiv-2025-zzs7t

Posted

Apr 01, 2025

Changyu Weng, Hongmei Yuan, Lungang Chen, Xinghua Zhang, Qi Zhang, Longlong Ma, Jianguo Liu

Molecular Engineering-Regulated Donor-Acceptor 1D Covalent Organic Framework with Bipolar Redox-Active Centers for High-Performance Organic Li-ion Battery Cathodes

10.26434/chemrxiv-2025-h6vrc

Posted

Apr 01, 2025

Lamanna Giuseppe, Augello Giuseppa, Luisa Ronga, Tesauro Diego, Silvestri Ilaria, Azzolina Antonina, Melchiorre Cervello, Giuseppe Felice Mangiatordi, Saviano Michele

Structure-based identification of the first non-covalent thioredoxin reductase inhibitor with proven ADMET suitability

10.26434/chemrxiv-2025-xfc4d

Posted

Apr 01, 2025

Jiandong Feng, Qin Juan, Yibo Yang, Zengrong Zhou, Pinlong Zhao, Shiyang Lyu, Wenjing Duan, Hongzhen Bai, Jinhua Li

In-situ Dynamic Imaging of Magnetosome Biomineralization in A Living Bacterium

10.26434/chemrxiv-2025-pdgks

Posted

Apr 01, 2025

George Creasey, Andreas Kafizas, Anna Hankin

Investigating the beneficial effects of a WO3 seed layer on the mechanical and photoelectrochemical stability of WO3 | BiVO4 | NiFeOOH photoanodes under operational conditions

10.26434/chemrxiv-2025-bz3nw

Posted

Apr 01, 2025

Abhaykumar Vishwakarma, Tonish Kumar Sahu, Shanti Gopal Patra, Chhanda Paul, Tabrez Khan

Strain-Release-/Aromaticity-Driven Radical Generation and SO2-Capture Enables Acrylamides Bisfunctionalization via Photoredox Catalysis: Synthesis of S(VI) Functionalized Oxindoles

10.26434/chemrxiv-2025-npk7d

Posted

Apr 01, 2025

Behzad Heydaryan Manesh, Naim Bajcinca, Mohammad Al Khatib, Maryam Babazadeh, Kai Sundmacher

Closed-Form Solutions for Control of Calcium Carbonate Precipitation

10.26434/chemrxiv-2025-hg5dt

Posted

Apr 01, 2025

Piret Villo, Malin Lill, Ziwei Fan, Kevin Breitwieser, Jai White, Sergio Pérez Morente, Mårten Ahlquist, Helena Lundberg

Electrochemical Deoxygenative Silylation of Alcohols

10.26434/chemrxiv-2025-f4fvm

Posted

Apr 01, 2025

Innovative Development and Characterization of Al2O3, CuO, and Cr2O3 Nanoparticles for Advanced Protective Paint Coating

GANESH SANJAY KHAIRNAR

10.26434/chemrxiv-2025-1gnb2-v2

Posted

Apr 01, 2025

Disintegration of water nanodroplet in oil: Impact of amphiphile self-assembly, surface heterogeneity, and protrusions

Nitesh Kumar

10.26434/chemrxiv-2024-4tfz1-v3

Posted

Apr 01, 2025

Meredith Pomfret, Nicholas Serck, Lucy Miller, Matthew Golder

Concentration Driven Ring Expansion Metathesis Polymerization via Tunable Ring Transfer Processes

10.26434/chemrxiv-2024-3b53q-v2

Posted

Apr 01, 2025

Yunyun Gu, Max Lennart Feuerstein, Caroline Helen Johnson, Benedikt Warth

High-performance quantitative exposomics covering up to >230 toxicants and key biomarkers

10.26434/chemrxiv-2025-sb0nl

Posted

Apr 01, 2025

Michael Furlan, Patrick Melix, Mark D. Aloisio, Robert Jahn, Alastair McLean, Ralf Tonner-Zech, Cathleen M. Crudden

High-Density Self-Assembled Monolayers of NHCs on Au(111) – Observation of Normal and Mesoionic Bonding Modes

10.26434/chemrxiv-2025-1gtsz

Posted

Apr 01, 2025

Malte Sellin, James Watson, Graham Ball, Leslie Field, Julia Fischer, Ingo Krossing

Conditions that Promote Alkane Binding: Crystallization of a Cationic Manganese(I) Pentane σ-Complex from Solution

10.26434/chemrxiv-2025-ffpdw

Posted

Apr 01, 2025

Hannu Rummukainen, Tuomo Hjelt, Mikko Mäkelä

A data-driven methodology on deterministic linear models and probabilistic machine learning for material development

10.26434/chemrxiv-2025-vw153

Posted

Apr 01, 2025

Computational Insights into the Binding Mechanism of L6I with Keap1 Kelch Domain (5FNU): A Molecular Docking Approach

Swaroop Kumar . P

10.26434/chemrxiv-2025-lhx43

Posted

Apr 01, 2025

Danniel Arriaga, Ravinder Kaur, Andy Thomas

Design of a LED Rapid Injection NMR System for Structure Elucidation and Kinetic Analyses

10.26434/chemrxiv-2025-pttkn

Posted

Apr 01, 2025

Lupita Aguirre, Jeanette Piña, Raquel Gonzalez, Andy Thomas

Design of a Gas Rapid Injection NMR System for Structure Elucidations and Kinetic Analyses

10.26434/chemrxiv-2025-q5q5z

Posted

Apr 01, 2025

Patrick Smith, Dumitru-Claudiu Sergentu, Jacob Branson, Appie Peterson, Dominic Russo, Corwin Booth, Jochen Autschbach, Stefan Minasian

X-ray Spectroscopy of CeBr6(2-) and Comparisons to the Corresponding Chloride and Fluoride Complexes

10.26434/chemrxiv-2025-3rn19

Posted

Apr 01, 2025

Neha Sharma, Edward Apraku, Hannah Holmes, Meili Gong, Diego Bustamante, Johanna Weker, Sharon Bone, William Tarpeh

Probing the Mechanism of Selective Phosphate Adsorption from Wastewater using Aqueous and Synchrotron X-ray Characterization

10.26434/chemrxiv-2025-lg870

Posted

Apr 01, 2025

Qianhui Wang, Jingyi Sui, Kenji Mochida, Zhiwei Wang, Filip Formalik, Randall Q. Snurr, Joseph T. Hupp

Sculpting the Pores of a Metal–Organic Framework using Encapsulated Polyoxometalates for Enhanced Xe/Kr Separation

10.26434/chemrxiv-2025-spppr

Posted

Apr 01, 2025

Yinuo Zheng, Elvis Wang Hei Ng, Yongjie Shi, Antonio Rizzo, Pauline Chiu

Highly Enantioselective Reductions of 2H-Azirines

10.26434/chemrxiv-2025-01d4z

Posted

Apr 01, 2025

Yiming Ji, Enze Su, Daryl Yee

Volumetric Additive Manufacturing of Composites via Hydrogel Infusion

10.26434/chemrxiv-2025-1twqq

Posted

Apr 01, 2025

Marisa Franziska Jakobs, Max Carlsson, Simon Wittmann, Jörg Fahrer, Sabine Becker

Four new bright members of the ZinPyr zinc fluorescence sensor family for live cell imaging

10.26434/chemrxiv-2025-tm6vj

Posted

Apr 01, 2025

Sudip Das, Umberto Raucci, Enrico Trizio, Peilin Kang, Rui Neves, Maria Ramos, Michele Parrinello

A Machine Learning-Driven, Probability-Based Approach to Enzyme Catalysis

10.26434/chemrxiv-2025-dqb0g

Posted

Apr 01, 2025

Hesam Makki, Colm Burke, Christian B. Nielsen, Alessandro Troisi

Mapping the Structure-Function Landscape of Semiconducting Polymers

10.26434/chemrxiv-2025-95vnl

Posted

Apr 01, 2025

Rick Oerder, Gerrit Schmieden, Jan Hamaekers

Trainable Data Embeddings Enable Multi-Fidelity Learning

10.26434/chemrxiv-2025-vx7nx

Posted

Apr 01, 2025

Baichen Liu, Rémy Richard Jacquemond, Vanesa Muñoz-Perales, Simona Buzzi, Johan Hjelm, Antoni Forner-Cuenca

Integrating Flow Field Geometries within Porous Electrode Architectures for Enhanced Flow Battery Performance

10.26434/chemrxiv-2025-rm9rb

Posted

Apr 01, 2025

Tung Dao Quang, Dung Do Thi Mai, Quynh Mai Thai, Phuong-Thao Tran, Son Tung Ngo, Trung Hai Nguyen

Characterizing Potential BACE1 Inhibitors from ChEMBL Database using Knowledge- and Physics-Based Approaches

10.26434/chemrxiv-2025-xccmh

Posted

Apr 01, 2025

Zhuwen Wei, Sheng Xu, Jinxin Liu, Kaiping Zhu, Mengke Tang, Aini Li, Xingqi Wang, Kean Ping Tan, Yang Li, Zheng Meng, Yan Jing

Electrochemically induced carbon dioxide capture from air with an aqueous fluoflavine sorbent

10.26434/chemrxiv-2025-rmfmq

Posted

Apr 01, 2025

Noah B. Bissonnette, Marie E. Zamanis, Steven D. Knutson, Zane Boyer, Angelo Harris, Daniel Martin, Jacob B. Geri, Suzana Couto, Tahamtan Ahmadi, Anantharaman Muthuswamy, Mark Fereshteh, David W. C. MacMillan

µMap-FFPE: A High-Resolution Protein Proximity Labeling Platform for Formalin-Fixed Paraffin-Embedded Tissue Samples

10.26434/chemrxiv-2025-th865

Posted

Apr 01, 2025

Vanessa Becker, M Bhargava Reddy, Eoghan McGarrigle

Photochemical Carbosulfonylative Cross-Coupling of Alkenes

10.26434/chemrxiv-2025-1cglv

Posted

Apr 01, 2025

Fred Gui, Yu Ouyang, Catherine Chen

Bill Reintroduction in the U.S. House

10.33774/apsa-2025-f67st-v2

Posted

Apr 01, 2025

WHERE COMPARATIVE POLITICS MEETS METHODS: CENTRING THE LOCAL SINGAPOREAN CONTEXT IN AN UNDERGRADUATE METHODS COURSE

Rebecca Tan

Posted

Apr 01, 2025

10.33774/apsa-2025-dbcs1

Daisuke Terada, Taichi Inagaki, Miho Hatanaka

Mechanistic elucidation of enzymatic C-glycosylation: Facilitation by proton transfer to UDP-glucose

10.26434/chemrxiv-2025-c8krs

Posted

Apr 01, 2025

Joseph J. Kuchta III, Sarah M. Moody, Alexia M. Bradbury, D. M. S. C. Dissanayake, Santosh K. Balijepalli, John R. Regalbuto, Aaron K. Vannucci

Covalent Bonding of Molecular Catalysts to Metal Oxide Supports via Transesterification Leads to High Loading and Tunable Hybrid Nickel Catalysts

10.26434/chemrxiv-2025-2l3d9-v2

Posted

Apr 01, 2025

Helge Vatheuer, Lisa Johannknecht, Rebecca Maria Ziora, Gerald Keller, Jonas Paulus, Lukas Stelzl, Paul Czodrowski

Proton first: rationalizing a proton transfer in a protein-fragment complex

10.26434/chemrxiv-2024-hpqb7-v3

Posted

Apr 01, 2025

Tongwei Wu, Xiaoxi Guo, Hengfeng Li, Yanning Zhang, Chao Ma, Hongmei Li, Liyuan Chai, Haitao Zhao, Min Liu

Cascade dual-sites enable low-concentration NO-to-NH3 electrosynthesis in neutral media

10.26434/chemrxiv-2025-1x7pv-v2

Posted

Apr 01, 2025

Recent advances in stimuli-responsive framework materials: understanding their response and searching for materials with targeted behavior

François-Xavier Coudert

10.26434/chemrxiv-2025-gdx77-v3

Posted

Apr 01, 2025

Jose Hernandez-Betancur, John D. Chea, David Perez, Gerardo J. Ruiz-Mercado

Integrating data engineering and process systems engineering for end-of-life chemical flow analysis

10.26434/chemrxiv-2025-bcb9g

Posted

Apr 01, 2025

Psychiatry

Oscar de Juan, Allan H Young

Repurposing of recreational drugs: will these new ‘medicines’ deliver short- or longer-term benefits for those with depressive or other mood disorders? 

Posted

Apr 01, 2025

10.33774/coe-2025-ssp3r

Richard Lima, Yan Robles, Isabelle Oliva, Anna Santos, Júlia Teixeira, Maria Chellegatti, Niege Furtado, Carlos Martins, Viviani Takahashi, Antônio Crotti

Antimicrobial activity of N-methyl 4-piperidone derived monoketone curcuminoids

10.26434/chemrxiv-2025-tcqn2

Posted

Apr 02, 2025

Malika Ahuja, Debaprasad Mukherjee

Artificial Intelligence and Automation in Universal Pandemic Vaccine Design: A Strategic Imperative for Global Health Security

10.26434/chemrxiv-2025-2nxrb

Posted

Apr 02, 2025

Yuito Kobori, Keisuke Tokushige, Takumi Abe

One-pot Stereoselective Synthesis of trans-2,3-Diaminoindolines through Differentiated 2,3-Diamination of Electrophilic Indolines

10.26434/chemrxiv-2025-1h3rl

Posted

Apr 02, 2025

Felipe Victoria-Munoz, Janosch Menke, Norberto Sanchez-Cruz, Oliver Koch

Efficient Decoy Selection to Improve Virtual Screening Using Machine Learning Models

10.26434/chemrxiv-2025-2hh8z

Posted

Apr 02, 2025

Razan Daoud, Emanuela Cetrullo, Luca De Vico

Tunable Spectral Properties and Excitonic Couplings of Bacteriochlorophyll-like Dimer Aggregates

10.26434/chemrxiv-2025-37fb2

Posted

Apr 02, 2025

Ryo Fujita, Yoshifumi Amamoto, Jun Kikuchi

Bayesian Optimization of Biodegradable Polymers via Machine Learning Driven Features from Low-Field NMR Data

10.26434/chemrxiv-2025-4rq77

Posted

Apr 02, 2025

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

Accessing Ultralarge Chemical Spaces via a Sociable Fragment Library: Design and Crystallographic Screening

10.26434/chemrxiv-2024-rpst3-v3

Posted

Apr 02, 2025

Tim Van Den Bossche, Jean Armengaud, Dirk Benndorf, Jose Alfredo Blakeley-Ruiz, Madita Brauer, Kai Cheng, Marybeth Creskey, Daniel Figeys, Lucia Grenga, Timothy J Griffin, Céline Henry, Robert L Hettich, Tanja Holstein, Pratik D Jagtap, Nico Jehmlich, Jonghyun Kim, Manuel Kleiner, Benoit J Kunath, Xuxa Malliet, Lennart Martens, Subina Mehta, Bart Mesuere, Zhibin Ning, Alessandro Tanca, Sergio Uzzau, Pieter Verschaffelt, Jing Wang, Paul Wilmes, Xin Zhang, Leyuan Li

The Microbiologist’s Guide to Metaproteomics

10.26434/chemrxiv-2025-rh2q9-v2

Posted

Apr 02, 2025

Shiho Sakuma, Shunsaku Yasumura, Kenichiro Saita, Tetsuya Taketsugu, Masaru Ogura

Predicting Catalytic Activity for CH4 Combustion on Pd-exchanged Zeolite Catalysts Using Automated Reaction Route Mapping

10.26434/chemrxiv-2025-qhqkd-v2

Posted

Apr 02, 2025

Rıza Özçelik, Helena Brinkmann, Emanuele Criscuolo, Francesca Grisoni

Generative deep learning for de novo drug design – a chemical space odyssey

10.26434/chemrxiv-2025-1zs8j-v2

Posted

Apr 02, 2025

Saburo Hosokawa, Wataru Ota, Toyokazu Tanabe, Kosei Shingai, Chikara Watanabe, Hiroyuki Asakura, Shunya Onishi, Laetitia-Eiko Xerri, Hiroshi Yoshida, Masato Machida, Kentaro Teramura, Tohru Sato, Tsunehiro Tanaka

Epitaxial Domain of Pd Oxide with a Superperiodic Structure Formed on Sr3Ti2O7: A Promising Environmental Catalyst for Exhaust Gas Purification

10.26434/chemrxiv-2025-ddp2p-v2

Posted

Apr 02, 2025

Patrik F. Schwarz, Alexander F. Perhal, Famke Guder, Jorge Enrique Hernández González, Kerrin Janssen, Ece Sağıroğlu, Ammar Tahir, Johannes Kirchmair, Natacha Rochel, Verena M. Dirsch, Ya Chen

Identification of Betulinic Acid Derivatives as Inverse Agonists of RAR-related Orphan Receptor Gamma (RORγ)

10.26434/chemrxiv-2025-pb5wq-v2

Posted

Apr 02, 2025

Jonathan M. Mauß, Klara S. Kley, Rohini Khobragade, Nguyen-Khang Tran, Jacopo De Bellis, Ferdi Schüth, Matthias Scheffler, Lucas Foppa

Modelling the Time-Dependent Reactivity of Catalysts by Experiments and Artificial Intelligence

10.26434/chemrxiv-2025-vf7hd-v2

Posted

Apr 02, 2025

Jianmin Wang, Kai Xu, Tengfei Ma, Xudong Zhang, Pengsen Ma, Chunyan Li, Weiran Huang, Meng Wang, Xiaojun Yao, Tao Song, Xiangxiang Zeng

A Quantitative Ring Complexity Index for Profiling Ring Topology and Chemical Diversity

10.26434/chemrxiv-2025-mlqwl-v2

Posted

Apr 02, 2025

Huachuan Du, Ruomeng Qiu, Xianwen Lou, Stef Jansen, Hiroaki Sai, Yuyang Wang, Albert Markvoort, E.W Meijer, Samuel Stupp

Mapping In Situ the Assembly and Dynamics in Aqueous Supramolecular Polymers

10.26434/chemrxiv-2024-v0mrn-v2

Posted

Apr 02, 2025

Yan Xu, Dongyang Chen, Sen Wu, Dominic Black, Hui Wang, Robert Pal, Xiaohong Zhang, Eli Zysman-Colman

Accelerating reverse intersystem crossing by bridging two multiresonant thermally activated delayed fluorescence emitters with [2.2]paracyclophane

10.26434/chemrxiv-2025-rvwbz

Posted

Apr 02, 2025

Mihail T. Georgiev, Silviya S. Simeonova, Boris G. Konstantinov, Krassimir D. Danov, Robert Riley, Dawn Woodall

Conformational and Rheological Behavior of Kappa Carrageenan in Glycerol: Effects of Sodium Salts and Preparation Temperature

10.26434/chemrxiv-2025-qm49b

Posted

Apr 02, 2025

Marcus Sceney, Keith White, Jason Dutton

A new scaffold for hypervalent iodine with enhanced oxidative capabilities: ArIL2 using orthocarborane as the “aryl” support

10.26434/chemrxiv-2025-hrrgg

Posted

Apr 02, 2025

Mariah Meehan, Grace Scofield, Corrinne Stahl, Jacob Wolfe, W. Seth Horne, Peng Liu, Kay Brummond

A predictive model for thiol reactivity of N-heteroaryl α-methylene–γ-lactams—a medicinally relevant covalent reac-tive group

10.26434/chemrxiv-2025-64qqs

Posted

Apr 02, 2025

Yuchong Yang, Tanya K. Ronson, Dingyu Hou, Kai H. Luo, Jonathan R. Nitschke

Fluoride Enhances Alcohol Binding within a Trigonal-Prismatic Metal-Organic Capsule

10.26434/chemrxiv-2025-x3c3r

Posted

Apr 02, 2025

Yu Kaneko, Satoshi Okiba, Yutaka Isobe, Takashi Arai, Takuya Uto

Fully virtual exploration of cellulose solvents

10.26434/chemrxiv-2025-fhkh3

Posted

Apr 02, 2025

Lucie Leonova, Giovanni Pampararo, Vit Vykoukal, Lucie Simonikova, François Devred, Pierre Eloy, Ales Styskalik, Damien Debecker

Ethanol dehydration with aerosol-made mesoporous aluminosilicates featuring dispersed active sites

10.26434/chemrxiv-2025-r9tsx

Posted

Apr 02, 2025

Marvin Alberts, Federico Zipoli, Teodoro Laino

Setting New Benchmarks in AI-driven Infrared Structure Elucidation

10.26434/chemrxiv-2025-9p2dw

Posted

Apr 02, 2025

TianZhixi Yin, Ruozhu Feng, Jie Bao, Peiyuan Gao, Yangang Liang, Job Heather, Alan Aspuru-Guzik, Wei Wang

Learning Advance: Robotics-LLM Guided Hypotheses Generation for the Discovery of Chemical Knowledge

10.26434/chemrxiv-2025-n1b4l

Posted

Apr 02, 2025

Josh Kemppainen, Gregory Odegard, Tristan Muzzy, Trevor Wavrunek

Understanding and Interpreting Stress-Strain Curves from Molecular Dynamics Simulation of Amorphous Polymers

10.26434/chemrxiv-2025-fk935

Posted

Apr 02, 2025

Muhammad Yasir Mehboob, Emran Masoumifeshani, Zahra Badri, Cina Foroutan-Nejad

Design of Carbon-Carbon Ylides

10.26434/chemrxiv-2025-2f459

Posted

Apr 02, 2025

Nick D'Antona, Joseph Kelly, Nadia Barnard, Shane Ardo, Yixian Wang, Yogesh Surendranath, Tom Markland, Paul Kempler, Shannon Boettcher

Proton-transfer kinetics at liquid-liquid interfaces

10.26434/chemrxiv-2024-sxzbn-v2

Posted

Apr 02, 2025

Ruzal Sitdikov, Pavlo Nikolaienko, Luca Meyer, Oscar Verho

Cobaltaelectro-Catalyzed C-H Acyloxylation of Aromatic and Vinylic Amide Derivatives at Room Temperature

10.26434/chemrxiv-2025-bbjk3-v2

Posted

Apr 02, 2025

Minh-Dat Nguyen, Samin Tavakoli, Philip E. Johnson, Philippe Dauphin Ducharme

Solution-Based Biophysical Methods for Guiding Design of Aptamers into Electrochemical Biosensors

10.26434/chemrxiv-2025-4pkbp

Posted

Apr 02, 2025

Kalyan Vasudevan, Nicholas Hill, Daniel Unruh, Andrew King, Alan Cowley, Michael Findlater

Synthesis of a Mixed Bis(imino)acenaphthene (BIAN) Ligand Using Aluminum Transfer Reagents

10.26434/chemrxiv-2025-zqhfk

Posted

Apr 03, 2025

Michael Tang, Michal Bajdich, Frank Abild-Pedersen

Revamped Electrode Models for Driving Electrochemical Reactions under Alkaline Conditions

10.26434/chemrxiv-2025-scfx5

Posted

Apr 03, 2025

Laura van Weesep, Rıza Özçelik, Marloes Pennings, Emanuele Criscuolo, Christian Ottmann, Luc Brunsveld, Francesca Grisoni

Identifying 14-3-3 interactome binding sites with deep learning

10.26434/chemrxiv-2025-18tn6

Posted

Apr 03, 2025

Mingze Zheng, Shivangi Borate, James Harris, Brandon Bukowski

Exploring the Structure and Function of Rare-earth Elements Incorporated into Zeolite Catalysts

10.26434/chemrxiv-2025-d1r3j

Posted

Apr 03, 2025

Wenbo Yu, Shashi Kumar, Mingtian Zhao, David Weber, Alex MacKerell

High Throughput Ligand Dissociation Kinetics Predictions using Site-Identification by Ligand Competitive Saturation

10.26434/chemrxiv-2025-5bc2t-v3

Posted

Apr 03, 2025

Matthew B. Goss, Hannah S. Kenagy, Colette L. Heald, Jesse H. Kroll

Re-examining chemical conditions of past chamber studies of secondary organic aerosol formation

10.26434/chemrxiv-2025-1xq6q

Posted

Apr 03, 2025

Nels Gerstner, Jack McCann, Julia Martin, Katharine Henn, Kathrin Riske, Sathvik Anantakrishnan, Thomas Graham, Xavier Darzacq, Evan Miller

bis(trifluoromethyl)-carborhodamines: highly fluorogenic, far-red to near infrared dyes for live cell fluorescence microscopy, activity-based sensing, and single-molecule microscopy

10.26434/chemrxiv-2024-7p8dl-v2

Posted

Apr 03, 2025

Reconceptualizing Sovereignty: The Emergence OF The Responsibility To Protect (R2P) In International Law

Jasjit Singh

Posted

Apr 03, 2025

10.33774/coe-2025-6w22g

Madhubani Mukherjee, Carson Baker, Miloš Ranković, Pamir Nag, Juraj Fedor, Anna I. Krylov

Potential energy surfaces of bound and metastable electron-attached states of N2O characterized by a joint experimental and theoretical study

10.26434/chemrxiv-2025-m5dnl

Posted

Apr 03, 2025

Shane Finn, Keira Mahoney, Taryn Lucas, Valentina Rangel-Angarita, Ryan Chen, Stacy Malaker

GlycoFASP: A Universal Method to Prepare Complex Mixtures for O-Glycoproteomic Analysis

10.26434/chemrxiv-2025-bxv0k

Posted

Apr 03, 2025

Sameera Ranasinghe, Yijie Li, Madison Andrews, Manjur Akram, Ragene Thornton, Caleb Martin

A 19F NMR Lewis Acidity Probe for Boranes

10.26434/chemrxiv-2025-f12hc

Posted

Apr 03, 2025

Zhaocheng Xu, Ningxu Han, Bing Yang, Ming Wang, Zeyuan Dong

Aromatic Foldamers with Tunable Pore Sizes Synthesized via Suzuki Coupling for Mass Transport

10.26434/chemrxiv-2025-tpbf8

Posted

Apr 03, 2025

Karrar Al Taief, Stephanie Nemec, Isis Middleton, Kristopher Kilian, Pall Thordarson

Scrambled RGD hexameric peptide hydrogel supports efficient self-assembly and cell activity

10.26434/chemrxiv-2024-bkn81-v2

Posted

Apr 03, 2025

Matthew Spry, Johannes Rietbrock, Olivia Westhead, Craig Burdis, Cindy Tseng, Asuka Morinaga, James O. Douglas, Michele Conroy, Yasuyuki Kondo, Yuki Yamada, Maria-Magdalena Titirici, Ifan E. L. Stephens, Yu Katayama

Understanding the role of water in Li-mediated N2 reduction using in situ IR spectroscopy

10.26434/chemrxiv-2025-mzvlk

Posted

Apr 03, 2025

Jinwon Oh, Shuang Han, Evan J. Gardner, Rohan Parekh, Audrey Dannar, Pin-Hung Chung, Kaifeng Zheng, Anna Mian, Karen C. Bustillo, Christian Reece, Anatoly I. Frenkel, Colin Ophus, Carlos Lizandara-Pueyo, Sandip De, Matteo Cargnello

Colloidal synthesis of high entropy alloy and multimetallic nanocrystals

10.26434/chemrxiv-2025-kdzz3

Posted

Apr 03, 2025

Masaharu Aoyama, Shogo Nara, Hiroshi Numata, Kaito Kimura, Sawa Suzuki, Hiroaki Nishiyama

Two-Photon-Excited Vapor Microbubble in Nanoparticle-Assembly-Based Laser Writing

10.26434/chemrxiv-2025-34kg0

Posted

Apr 03, 2025

DNA sequencing with a nanopore and a sub-nanometer stop-and-go positioning system for incremental base identification

G Sampath

10.26434/chemrxiv-2025-hp6x1

Posted

Apr 03, 2025

Exploring organic chemical space for materials discovery using crystal structure prediction-informed evolutionary optimisation

Jay Johal, Graeme Day

10.26434/chemrxiv-2025-v8692

Posted

Apr 03, 2025

Tim Gould, Stefan Vuckovic

``Slim'' benchmark sets for faster method development

10.26434/chemrxiv-2025-949xn

Posted

Apr 03, 2025

Life Sciences

Poster

Lyme Disease Experience Survey 2024 - NICE Guideline 95 Insights

Elizabeth Murray, Nicola Lawrence, Anne Cruikshank, Zahra Husain

Elizabeth Murray, Nicola Lawrence, Anne Cruikshank, Zahra Husain

Posted

Apr 03, 2025

10.33774/coe-2025-dqjxl

Life Sciences

Poster

Lyme Disease Experience Survey 2024 - Infected 18 and Under - Summary Posters

Posted

Apr 03, 2025

10.33774/coe-2025-3h23b

Guillem Seychal, Pauline Bron, Olivier Talon, Nora Aranburu, Jean-Marie Raquez

Can polyhydroxyurethane-derived covalent adaptable networks provide environmental benefits in composite applications?

10.26434/chemrxiv-2025-lqttq

Posted

Apr 03, 2025

Alexander Neumann, Raphael Klein

A Benchmark Set of Bioactive Molecules for Diversity Analysis of Compound Libraries and Combinatorial Chemical Spaces

10.26434/chemrxiv-2025-vzjw3

Posted

Apr 03, 2025

Johannes R. Vornweg, Toni M. Maier, Christoph R. Jacob

The density-based many-body expansion for polypeptides and proteins

10.26434/chemrxiv-2025-jgx5p-v2

Posted

Apr 03, 2025

Fabián Suárez-Lestón, Markus S. Miettinen, Alexey Nesterenko

Consistent Pressure–Area Isotherms via X-ray Reflectometry and Molecular Simulation

10.26434/chemrxiv-2025-85lbz

Posted

Apr 03, 2025

Friedrich Hastedt, Klaus Hellgardt, Sophia Yaliraki, Dongda Zhang, Antonio del Rio Chanona

MolPrice: Assessing Synthetic Accessibility of Molecules based on Market Value

10.26434/chemrxiv-2025-psjf9

Posted

Apr 03, 2025

Julien Escudero, Jonathan Long, Dylan Bouëtard, Jennifer Morvan, Mehdi Kooghard, Angelika Neitzel, Dirk Bockfeld, Shedrack Nwachukwu, Thierry Roisnel, Rik Tykwinski, Matthias Tamm, Marc Mauduit, Yann Trolez

Synthesis of Conjugated Linear and Cyclic Polyynes by Alkyne Metathesis

10.26434/chemrxiv-2025-lm8cw-v2

Posted

Apr 03, 2025

Roberta Bilardo, Adele Leggieri, Francesca Tomatis, Federico Traldi, Alena Vdovchenko, Eleonora Rizzi, Miguel Lino, Caroline Mysiorek, Lino Ferreira, Caroline Brennan, Marina Resmini

N-isopropylacrylamide based nanogels crossing the blood-brain barrier: evidence of high in vitro internalization in human endothelial cells and in vivo permeation in zebrafish

10.26434/chemrxiv-2025-hpfg1-v2

Posted

Apr 03, 2025

JUNJIE YANG, Dimitri Abrahamsson, June-Soo Park, Tracey Woodruff, Julian Edwards, Miaomiao Wang, Erin Demicco, Rachel Morello Frosch

Assessing Exposure to Plastic Related Chemicals in Second-Trimester Pregnancy: A Suspect Screening Approach

10.26434/chemrxiv-2025-wg3kd

Posted

Apr 04, 2025

Teaching chemists to code with diversity in mind: a pedagogy of belonging for end-user conditions

Marie van Staveren

10.26434/chemrxiv-2025-sbhws

Posted

Apr 04, 2025

Yonggui Zhao, Nanchen Dongfang, Rolf Erni, Marcella Iannuzzi, Greta R. Patzke

Operando Monitoring of Phase Engineered Cobalt Diselenide Catalysts for Overall Water Electrolysis

10.26434/chemrxiv-2025-tl41k-v2

Posted

Apr 04, 2025

Shiyang Zhai, Marie Kemkes, Cindy-Esther Kponomaizoun, Felix Feller, Jia-Wey Tu, Dominika Ewa Pieńkowska, Jan Gerhartz, Julian Schliehe-Diecks, Michael Gütschow, Radosław P. Nowak, Christian Steinebach, Sanil Bhatia, Finn Kristian Hansen

Discovery of histone deacetylase 8 (HDAC8)-specific proteolysis-targeting chimeras with anti-cancer activity against hematological malignancies

10.26434/chemrxiv-2025-fmh6q

Posted

Apr 04, 2025

Zehua Li, S. Hessam M. Mehr

Accelerated investigation of complex reaction cascades via digital aerosol chemistry coupled to online mass spectrometry

10.26434/chemrxiv-2025-g4hcg

Posted

Apr 04, 2025

SOUPTIK BHATTACHARYA, Shaoli Das, Sanjukta Banik, Sanjana Baidya, Sreelekha Banik, Anushree Pahari

Development, characterization and in vitro digestion of polysaccharide reinforced composite stimuli-responsive hydrogel encapsulating bioactive polyphenols from fruit peel waste

10.26434/chemrxiv-2025-hrlvh

Posted

Apr 04, 2025

Clarisse Descamps, Vincent Bouttier, Juan Sanz García, Maoussi Lhuillier-Akakpo, Quentin Perron, Hamza Tajmouati

Growing and Linking Optimizers: Synthesis-driven Molecule Design

10.26434/chemrxiv-2025-64bhb-v2

Posted

Apr 04, 2025

Roozbeh Anvari, Deji Akinwande, Wennie Wang

Effect of electric field on the hysteresis and switching behavior of the MoS2/Au(111) heterojunction

10.26434/chemrxiv-2025-1k8mc

Posted

Apr 04, 2025

Andrew Ressler, Jesus Martinez-Alvarado, Ruchira Hariharan, Weiyang Guan, Song Lin

Deoxygenative Functionalization of Alcohols and Carbonyl Compounds via Electrochemical Reduction

10.26434/chemrxiv-2025-0dfb4

Posted

Apr 04, 2025

Sumbul Asif, Debaprasad Mukherjee

From GPCRs to Kinases: Automating the Path to Universal Pandemic Vaccine Development using Artificial Intelligence

10.26434/chemrxiv-2025-z1nxv-v3

Posted

Apr 04, 2025

Prabhakar Kumar, S Rajesh Reddy

COMPARATIVE NUMERICAL ANALYSIS OF PASSIVE CONTROL TECHNIQUES FOR CAVITATION MITIGATION ON CAMBERED MODIFIED TRAILING EDGE HYDROFOIL

10.26434/chemrxiv-2025-d5bzm

Posted

Apr 04, 2025

prabhakar kumar, S Rajesh Reddy

PREDICTING CAVITATION CONTROL EFFICIENCY WITH PASSIVE CONTROLLERS USING ARC PIMPLE SIZES ON MODIFIED CAMBERED HYDROFOILS

10.26434/chemrxiv-2025-50vlf

Posted

Apr 04, 2025

Matt Jellicoe, Lina Yang, Shan He, Benjamin Lobel, David Young, Andrew Harvie, Richard Bourne, Aaron Elbourne, Thomas Chamberlain

Flowing into the Future: The Promise and Challenges of Continuous Inorganic Nanoparticle Synthesis and Application

10.26434/chemrxiv-2025-tx4tq

Posted

Apr 04, 2025

Matteo Gasparetto, Attila Sveiczer, Andrea Fermi, Mounir Raji, Richard J. Fair, Paola Ceroni, Gellért Sipos

Dual Nickel-Photoredox Catalyzed Amidine-Arylation Method Mediated By In Situ Generated Triazine Cocatalyst

10.26434/chemrxiv-2025-hlzgd-v2

Posted

Apr 04, 2025

Zachary Lincoln, Vlad Iluc

Cross-Metathesis of an Iron Carbene with Diazenes

10.26434/chemrxiv-2025-10kzk

Posted

Apr 04, 2025

Christian O. Plaza-Rivera, Daniel Wang, Jason K. Phong, Haldrian Iriawan, Maximiliano Ramirez, Bryce A. Tappan, Louis Ah, Yang Shao-Horn

Concentration-Dependent Thermodynamics and Kinetics in Lithium-Metal Battery Electrolytes: Implications for Coulombic Efficiency

10.26434/chemrxiv-2025-chqx3

Posted

Apr 04, 2025

Harsh Chavda, Kevin Liang, Tanner Megna, Olivia Taylor, Grace Kim, Angie López, Ana Bahamonde

Indole Photocatalysts and Secondary Amine Ligands Enable Nickel-Photoredox C(sp2)–Heteroatom Couplings

10.26434/chemrxiv-2025-wvhb2

Posted

Apr 04, 2025

Alexander Tobias Nikol, Rosa Padilla, Martin Nielsen

Non-Noyori-type Ruthenium-POP Pincer Catalysts in Ethanol Upgrading

10.26434/chemrxiv-2025-nkfsb

Posted

Apr 04, 2025

Explaining Students’ Attitudes towards Undocumented Latin American Immigrants in USA

Clemente Quinones

Posted

Apr 04, 2025

10.33774/apsa-2025-8v9gp

Muhammad Hassan Bin Afzal, Foluke Omosun

Who Gets to Come In? How Political Engagement Shapes Views on Legal Immigration

Posted

Apr 04, 2025

10.33774/apsa-2025-zgskr

Conceptual Ambiguity in International Security: Examining international order, security sector assistance, and terrorism

Pearl Matibe

Posted

Apr 04, 2025

10.33774/apsa-2025-xrrzt

Jiaoyan Xu, Vivek Srinivas, Rohit Kumar, Laura Pacoste, Yiwang Guo, Taimin Yang, Changquan Sun, Martin Hogbom, Xiaodong Zou, Hongyi Xu

Unveiling the Structure of Anhydrous Sodium Valproate with 3D Electron Diffraction and a Facile Sample Preparation Workflow

10.26434/chemrxiv-2025-8qxqp

Posted

Apr 04, 2025

Moniruzzaman Moniruzzaman, Nai-Yuan Jheng, Rory Waterman

Photocatalytic Hydrophosphination Using Calcium Precatalysts

10.26434/chemrxiv-2025-dbzgk-v2

Posted

Apr 04, 2025

Yapeng Liu, Dongliang Guo, Hongyi Yao, Liang Zhou, Ximing Xu

EXPANDING BALLOONS: Robust Computational Method for Determining Supramolecular Cage Cavity Morphology Based on the “Inflating Balloon” Metaphor

10.26434/chemrxiv-2025-bdv0c

Posted

Apr 04, 2025

Yi Luo, Yuwei Deng, Bin Wang, Junshu Chen, Weimin Yang, Xiaodong Zou

Automated and real-time structure solution using 3D electron diffraction

10.26434/chemrxiv-2025-p44fw

Posted

Apr 04, 2025

Cizhang Zhao, Tianhong Wang, Ray Luo

Extending the MMPBSA method to membrane proteins: Addressing conformational changes upon ligand binding to P2Y12R

10.26434/chemrxiv-2025-2zr3l-v2

Posted

Apr 04, 2025

Ganeshdev Padhi, Nageswararao Moyilla, Poorvi Purohit, Nagaraju Barsu

Sustainable Up-cycling of Waste polyethylene to Linear Aliphatic di-Aldehydes (LAAs)

10.26434/chemrxiv-2025-r17ml

Posted

Apr 04, 2025

Rafaela A. L. Silva, Andreia A. Rosatella, Inês Cruz, Tiago Gonçalves, Pedro Neto, Carlos Alberto Mateus Afonso

Sequestration and Decontamination of Chemical Warfare Agent Simulants by Ionic Liquids

10.26434/chemrxiv-2025-kl000

Posted

Apr 04, 2025

Tooba Sajid, Joseph Flitcroft, Robert Freer, David Lewis, Jonathan Skelton

Thermoelectric properties and figure of merit of Cu2ZnSnS4

10.26434/chemrxiv-2025-mm25f

Posted

Apr 04, 2025

Astrid H. Berge, Sundeep Vema, Christopher A. O'Keefe, Clare P. Grey

Locating the impurity phases in the lithium-ion conductor Al-doped Li7La3Zr2O12 through dynamic nuclear polarization and nuclear magnetic resonance spectroscopy

10.26434/chemrxiv-2025-v58fh

Posted

Apr 04, 2025

Responsibility and Allocation for Environmental Damage Caused by Marine Plastic

HO JEONG DAN

Posted

Apr 05, 2025

10.33774/coe-2025-dk9nv

BREWING DISCONTENT: How U.S. Reciprocal Tariffs on Coffee Could Echo the Boston Tea Party

MUHAMMAD SUKRI BIN RAMLI

Posted

Apr 05, 2025

10.33774/coe-2025-dc5t8

Annie Flint Smith, Kane Alexander, Fernando Plazas-Niño, Mark Howells

A Dataset for Climate, Land, Energy and Water Systems Modelling in Lao PDR

Posted

Apr 05, 2025

10.33774/coe-2025-g33jk

An Analysis of the Technical and Emotional Dimensions of Technology Through the Starfish Metaphor

Özgecan Siyez

Posted

Apr 05, 2025

10.33774/coe-2025-mlktk

Review and Analysis of the Theory of Entropicity (ToE) in Light of the Attosecond Entanglement Formation Experiment: Toward a Unified Entropic Framework for Quantum Measurement, Non-Instantaneous Wave-Function Collapse, and Spacetime Emergence

Posted

Apr 05, 2025

10.33774/coe-2025-7lvwh

Restoring Democracy: Implications of American Indian Efforts to Return Tribal Governance to Participatory Values

Stephen Sachs

Posted

Apr 05, 2025

10.33774/apsa-2025-s5kd7

Junpei Suzuki, Susumu Annaka, Takaharu Saito, Gento Kato

Household Budget Analogy Revisited: How do Japanese People Respond to State Bankruptcy and Assets?

10.33774/apsa-2024-6r28m-v2

Posted

Apr 05, 2025

The Theory of Entropicity (ToE) Validates Einstein’s General Relativity (GR) Prediction for Solar Starlight Deflection via an Entropic Coupling Constant η

Posted

Apr 05, 2025

10.33774/coe-2025-1cs81

Nicholas Brown, Calum Buchanan, Noah Chicoine, Brooks Emerick, Adebayo Emmanuel, Caroline Hammond, Kayode Oluwasegun, Olivia Pomerenk, Luis Schneegans, Hemaho Taboe

One Algorithm to Rule Them All

Posted

Apr 05, 2025

10.33774/coe-2025-4z248

Version undefined posted 06 April 2025

BALANCING JUSTICE AND MENTAL HEALTH: Unravelling the Complexities of Juvenile Psychology in Indian Law

Jasjit Singh

Posted

Apr 06, 2025

10.33774/coe-2025-4092b

Justin Hopkins, Benjamin Page, Shengguang Wang, Jesse Canavan, Jason Chalmers, Susannah Scott, Lars Grabow, James McKone, Paul Dauenhauer, Omar Abdelrahman

Isopotential Electron Titration: Hydrogen Metal-Adsorbate Charge Transfer

10.26434/chemrxiv-2024-06kbz-v2

Posted

Apr 07, 2025

Rosaria Ciriminna, Cristina Della Pina, Rafael Luque, Mario Pagliaro

Videos in Chemistry Research Articles

10.26434/chemrxiv-2025-dngtd

Posted

Apr 07, 2025

Esme Hutton, Yumiko Uno, Craig Robson, Martin Fascione, Nathalie Signoret

A general and accessible approach to enrichment and characterisation of natural anti-Neu5Gc antibodies from human samples

10.26434/chemrxiv-2025-htm1g

Posted

Apr 07, 2025

Zhao Zhang, Yijia Wang, Xiaoyan Zheng, Jiajun Ren, Zhigang Shuai, Weihai Fang

Effect of excitonic coupling and disorder on nonradiative decay of molecular aggregates: a TD-DMRG study

10.26434/chemrxiv-2025-mk06f

Posted

Apr 07, 2025

Fundamental relation between triple point temperature and Rydberg constant

Sergei P. Efimov

10.26434/chemrxiv-2025-263v1

Posted

Apr 07, 2025

Supercapacitor Swing Adsorption of Carbon Dioxide in Positive and Negative scan: An Investigation via Impedance Analysis

Maurya Gyanprakash

10.26434/chemrxiv-2025-fbzl2

Posted

Apr 07, 2025

Yuchen Qiao, Ayisha Zia, Fengbin Wang, Bing Xu, Adrianna Shy, Grace Wu, Matthew Chu, Zhiyu Liu

Intrinsically Disordered Peptide Nanofibers from A Structured Motif within Proteins

10.26434/chemrxiv-2025-t5zq5

Posted

Apr 07, 2025

Jurgis Ruza, Michael Stolberg, Sawyer Cawthern, Jeremiah Johnson, Yang Shao-Horn, Rafael Gomez-Bombarelli

Autonomous Discovery of Polymer Electrolyte Formulations with Warm-start Batch Bayesian Optimization

10.26434/chemrxiv-2025-2cjbg

Posted

Apr 07, 2025

Josh Kemppainen, Gregory Odegard

Integrating complete bond dissociation in Class II force fields via a Morse bond and cross-term reformulation

10.26434/chemrxiv-2025-jjwck

Posted

Apr 07, 2025

Chen-Jui Huang, Jin An Sam Oh, Marta Vicencio, Tianchen Hu, Hedi Yang, James N. Burrow, Yen- Fang Song, Gung- Chian Yin, Pavel Shevchenko, Kamila Magdalena Wiaderek, Bing Joe Hwang, Ying Shirley Meng

Expanding Horizons: Synchrotron X-ray Micro-Computed Tomography for Structural Analysis of All-Solid-State Battery at Pouch Cell Level

10.26434/chemrxiv-2025-481d6

Posted

Apr 07, 2025

Dmytro Kravchuk, David Dixon, Richard Wilson

Synthesis of Crystalline Pentavalent Plutonium Hydroxides

10.26434/chemrxiv-2025-2xzrv

Posted

Apr 07, 2025

Explicit solutions for some two-step kinetics problems involving reversible isomerization

Alejandro Perez Paz

10.26434/chemrxiv-2024-6kdjr-v3

Posted

Apr 07, 2025

Fengming Cao, Søren Strandskov Sørensen, Anders K. R. Christensen, Samraj Mollick, Xuan Ge, Daming Sun, Anders B. Nielsen, Niels Christian Nielsen, Nina Lock, Ronghui Lu, Rebekka Klemmt, Peter K. Kristensen, Lars R. Jensen, Francesco Dallari, Jacopo Baglioni, Giulio Monaco, Martin A. Karlsen, Volodymyr Baran, Morten M. Smedskjaer

Continuous structure modification of metal- organic framework glasses via halide salts

10.26434/chemrxiv-2024-bgf8b-v2

Posted

Apr 07, 2025

Ziwen Zhao, Nikolaos Kostopoulos, Sagar Ganguli, Paul Bergstrom, Alina Sekretareva

Single-Entity Protein Electrochemistry of Diffusion-Limited Enzymes

10.26434/chemrxiv-2024-q12fw-v3

Posted

Apr 07, 2025

Morten Krogsbøll, Mohsen Rezaei, Nickie Fogde, Noah D. Weiss, Hugo S. Russell, Anders Feilberg, Matthew S. Johnson

First field Demonstration of a Novel Gas-Phase Photo-oxidation Method for Mitigation of Methane, Ammonia, and Odor from Agricultural sources

10.26434/chemrxiv-2025-n452d-v2

Posted

Apr 07, 2025

Vladislav Ivaništšev, Ritums Cepitis, Jan Rossmeisl, Nadezda Kongi

Twenty Years After: Scaling Relations in Oxygen Electrocatalysis and Beyond

10.26434/chemrxiv-2024-csxt9-v2

Posted

Apr 07, 2025

The Dissociation and Reduction of Molecular Oxygen on Platinum, Palladium, Iridium, Rhodium, and Gold

Benedikt Axel Brandes

10.26434/chemrxiv-2024-0tjc0-v3

Posted

Apr 07, 2025

Tirtha Mandal, Mangish Ghosh, Hendrik Paps, Tanumoy Mandal, Oliver Reiser

A General Photocatalytic Platform for the Regioand Stereoselective β-Chloroacylation of Olefins using a Heteroleptic Copper(I) Complex

10.26434/chemrxiv-2024-kzmzm-v3

Posted

Apr 07, 2025

Angel Hernandez-Mejias, Gabriel D. Jimenez-Nieves, Eduardo J. Caro-Diaz

In Silico Design and Analysis of Cyanobacterial Pseudo-Natural Products

10.26434/chemrxiv-2025-cs6dz-v2

Posted

Apr 07, 2025

Liang Guo, Tianjiao Mao, Liang Lu, Yipi Xiao, Fanrong Ai, Jiani Wang, Jing Yao, Xiluan Yan, Huan Li

Theoretical Framework for Absolute Quantification in Digital Immunoassays and Advancements in Microfluidic-Free Droplet-Based Digital Immunoassay Methodologies

10.26434/chemrxiv-2024-19rj6-v5

Posted

Apr 07, 2025

David Bodesheim, Alexander Croy, Gianaurelio Cuniberti

Elastic properties of defective 2D polymers from regression driven coarse-graining

10.26434/chemrxiv-2025-4f2d2-v2

Posted

Apr 07, 2025

Alyssa Kranc, Ksenia Bravaya

Excited states of peridinin in PCP: Polarizable embedding QM/MM study

10.26434/chemrxiv-2025-bwnnj

Posted

Apr 07, 2025

Shuaiqiang Zhao, Mengke Li, Zhizhi Li, Zhiqiang Yang, Hanbing He, Yingbo Lv, Mingming Yao, Bao Li, Shi-Tong Zhang, Haichao Liu, Shi-Jian Su, Bing Yang

Efficient Pure Organic Near-Infrared Room-Temperature Phosphorescence based on n/π Orbital Decoupling

10.26434/chemrxiv-2025-fb7br

Posted

Apr 07, 2025

Ruki Ashikaga, Yutaro Saito, Abdelazim Elhelaly, Hiroyuki Yatabe, Yohei Kondo, Hiroshi Nonaka, Imai Hirohiko, Fuminori Hyodo, Masayuki Matsuo, Shinsuke Sando

In vivo monitoring of hyperpolarized [15N]betaine-d11 signal for one hour

10.26434/chemrxiv-2025-0qxks

Posted

Apr 07, 2025

James Douglas, Glyn Allsop, Kuangchu Dai, Adrian Goodyear, Amanda Lowther, Madhu Babu Ramalingha reddy, Andrew Stark, Yabo Wei

Multi-kg Manufacture of AZD5462 Part 1: The Fragments, Featuring C−H Borylation, Organocatalytic Desymmetrization and Curtius Rearrangement

10.26434/chemrxiv-2025-zxqfg

Posted

Apr 07, 2025

Kazutaka Sakamoto, Milivoj Plodinec, Christoph R. Müller, Christophe Copéret

Silicon: A Surface Dopant for Stable Alumina-Supported PtGa Propane Dehydrogenation Catalysts by Favoring Redox and Carbon Dynamics

10.26434/chemrxiv-2025-46ssd

Posted

Apr 07, 2025

Yilin Zhang, Zhixiang Dai, Zihan Tan, Hongli Yang, Shengyang Zhou, Zhongming Li

Observation of Anisotropic Phonon-Electron Coupling in Two-Dimensional Covalent Organic Frameworks

10.26434/chemrxiv-2025-pjb3r

Posted

Apr 07, 2025

Discovery of Novel EGFR Kinase Inhibitors Using a Wild-Type EGFR: A Computational Approach

Dhrubajyoti Maji

10.26434/chemrxiv-2025-k329j

Posted

Apr 07, 2025

Gabriel J. Mattos, Justine A. Rothen, Thomas J. Cherubini, Eric Bakker

Chemical ion imaging with voltammetric ion transfer microscopy

10.26434/chemrxiv-2025-tg1xs

Posted

Apr 07, 2025

Membrane Permeability of Cyclic and Linear Peptides, a Halogenated Anti-Sickling Molecule, and Water Across a Red Blood Cell Bilayer Model

Nuno Galamba

10.26434/chemrxiv-2025-g09g7

Posted

Apr 07, 2025

Weihao Wang, Zhenghong Chen, Shaodong Zhang

Formation Mechanism of Polycatenane by Direct Catenation

10.26434/chemrxiv-2025-zsc17

Posted

Apr 07, 2025

Marleen Hallamaa, Adam O'Connell, Joel Björklund, Yu-Chang Liu, Jan Deska

A Streamlined Chemoenzymatic One-Pot Process for the Enantioselective Total Synthesis of Tenuipesone A/B

10.26434/chemrxiv-2025-rbj31

Posted

Apr 07, 2025

Weigang Cai, Yiyang Li, Zhong Chen, Yanqin Lin

High-Quality NMR Pure Shift Spectra Empowered by Self-Attention Deep Learning

10.26434/chemrxiv-2025-t9s48

Posted

Apr 07, 2025

Sylwia Jopa, Dariusz Gołowicz, Krzysztof Kazimierczuk

Split inversion-recovery experiment by sample shifting

10.26434/chemrxiv-2025-2gbqn

Posted

Apr 07, 2025

Jiaxu Liang, Christopher P. Ender, Nancy C. Forero-Martinez, Jingyi Liu, Xin Yang, Raul Gonzalez Brouwer, Lev Kazak, Yizhi Liu, Tobias Eklund, Mangalika Sinha, Sarah Köster, Shrikant Bhat, Fabian Rohmann, Andreas Tangemann, Kilian Lee Gallo, Rüdiger Berger, Robert Farla, Alexander Kubanek, Katrin Amann-Winkel, Manfred Wagner, Fedor Jelezko, Klaus Müllen, Robinson Cortes-Huerto, Yingke Wu, Tanja Weil

Bottom-up Synthesis of Molecular and Fluorescent Nanodiamonds from Nanographene

10.26434/chemrxiv-2025-hw77d

Posted

Apr 07, 2025

Sociology

Mental Health and Cost of Living in the UK: Current Trends and Challenges

Dorothy Herson

Posted

Apr 07, 2025

10.33774/coe-2025-lgvh5

Psychiatry

Abstract

Investigating the Impact of Social Media on Youth Mental Health Through the Personal Lens of Bipolar I

Dorothy Herson

Posted

Apr 07, 2025

10.33774/coe-2025-qvfvz

Psychiatry

Abstract

Trauma, Diagnosis, and the Nervous System: Reframing Trauma Reporting Through the Lens of Medical Dismissal, Gendered Belief, and Embodied Experience

Dorothy Herson

Posted

Apr 07, 2025

10.33774/coe-2025-lsqv8

Yara Ensminger, Rashmi Rashmi, Michael Karimov, Gideon Nölte, Markus Hafke, Ann-Cathrin Schmitt, David Diaz-Oviedo, Johannes Köbberling, Rainer Haag

Polyglycerol-based Lipids: A Next-Generation Alternative to PEG in Lipid Nanoparticles for Advanced Drug Delivery Systems

10.26434/chemrxiv-2025-2jf8r-v3

Posted

Apr 07, 2025

Austin Peach, Nicolas Fabregue, Celia Erre, Thomas-Xavier Métro, David Gajan, Frédéric Mentink-Vigier, Faith Scott, Julien Trébosc, Florian Voron, Nicolas Patris, Christel Gervais, Danielle Laurencin

Capturing and labeling CO2 in a jar: Mechanochemical 17O-Enrichment and ssNMR study of Sodium and Potassium (bi)carbonate Salts

10.26434/chemrxiv-2024-04r36-v4

Posted

Apr 07, 2025

Single molecule peptide synthesis without any side-chain protection using a nanopore and a sub-nanometer positioning system

G Sampath

10.26434/chemrxiv-2025-gsw8x-v3

Posted

Apr 07, 2025

Arka Porey, Ramon Trevino, Sachchida Nand, Seth Fremin, Shree Krishna Dhakal, Babu Raj Dhungana, Arko Das, Vy Nguyen, William Thompson, Dylan Moran, Chandan Giri, Hadi Arman, Daniel Wherritt, Oleg Larionov

Construction of sulfur stereocenters by asymmetric geminate recasting

10.26434/chemrxiv-2025-tmrg8

Posted

Apr 07, 2025

Effect of the phenyl substituent on two-proton-coupled electron transfer between hydroquinone and superoxide radical anion

Tatsushi Nakayama

10.26434/chemrxiv-2025-mm7sn

Posted

Apr 07, 2025

State-making and Borderlands: Informal Control of the Turkish State on an Everyday Level

Dilan Okcuoglu

Posted

Apr 07, 2025

10.33774/apsa-2025-l473d

Solving an inverse problem with generative models

John Kitchin

10.26434/chemrxiv-2025-nl9gl

Posted

Apr 08, 2025

Sophia Fricke, Velencia Witherspoon, Jeremy Demarteau, Brett Helms, Jeffrey Reimer

Correlated exchange in recyclable polymers via multidimensional diffusion power spectra

10.26434/chemrxiv-2025-smf79

Posted

Apr 08, 2025

Hanna Ivanova, Dmytro Khomenko, Rostyslav Lampeka, Sergey Studzinsky, Oksana Nadtoka, Hanna Solodukha, Vitaliy Smokal, Nicolay Chuprina, Victor Kravchenko

Some features of photoelectrophysical properties of new photoconductive film composites based on methacrylic azo polymers doped by Pd complexes

10.26434/chemrxiv-2025-ct6j2

Posted

Apr 08, 2025

Javier Oller, Paul Geerlings, Frank De Proft, Pablo Jaque

A Statistical Theory of Reactivity Based on Molecular Orbitals Participation and its Application to Organic Reactions

10.26434/chemrxiv-2025-87jzt

Posted

Apr 08, 2025

Brandon Clark, Jonathan Chou, Veronica Stafford, Franklin Lurie, Laura Dassama, William Tarpeh

Investigating the Effect of Membrane Composition on the Selective Ammonium Transport of E. coli AmtB Membrane Proteins

10.26434/chemrxiv-2025-0ksxc

Posted

Apr 08, 2025

Ryan Zanolini, Mariami Basilaia, Nilay Kanova Dogan, Gavin Rustin, Thomas Regganie, Noah Susskind, Yuezhi Mao, Jeffrey Gustafson

A Rh(II) Catalyzed Atropisomer Selective Ring Expansion of 3-Aryl Indoles to 4-Aryl Quinolines

10.26434/chemrxiv-2025-bv1kn

Posted

Apr 08, 2025

Shruti Suresh, Vijay Prakash S

Analyzing enzyme kinetics using a growth model

10.26434/chemrxiv-2025-57c99

Posted

Apr 08, 2025

Anders Andreasen, Carsten Stegelmann

Modelling the blowdown of pressure vessels

10.26434/chemrxiv-2025-00xzc

Posted

Apr 08, 2025

Yaffa Shalit, Inbal Tuvi-Arad

Binding Affinity of HIV-1 Protease Inhibitors: Insights from Machine Learning Models of Crystallographic Structures

10.26434/chemrxiv-2025-9xbh7

Posted

Apr 08, 2025

Sruthi T, MANDIRA DAS, Vincent Mathew

Revealing the Influence of Doping on the Electrochemical Behavior of MXene: A First-Principles Investigation

10.26434/chemrxiv-2025-0l0k0

Posted

Apr 08, 2025

A DFT Study of Electronic Inductive and Resonance Effects of Substituents on Concerted Two-proton Coupled Electron Transfer between Catechol Derivatives and Superoxide

Tatsushi Nakayama

10.26434/chemrxiv-2025-475sh

Posted

Apr 08, 2025

Michael Ingham, Marcus Bradly, Rachel Crespo-Otero

Describing excited states of covalently connected crystals with cluster and embedded cluster approaches: Challenges and solutions

10.26434/chemrxiv-2025-spfvh

Posted

Apr 08, 2025

Daniel Chrenko, Jana Perečková, Martina Zatloukalová, Jan Vacek, Tomáš Perečko, Jiri Pospisil

Regio- and Stereoselective Synthesis of Nitro-fatty Acids as NRF2 Pathway Activators Working under Ambient or Hypoxic Conditions

10.26434/chemrxiv-2025-nh099

Posted

Apr 08, 2025

Maurycy Krzyzanowski, Sirazam Munira Aishee, Nirala Singh, Bryan R. Goldsmith

Predicting aqueous and organic solubilities with machine learning: a workflow for identifying organic co-solvents

10.26434/chemrxiv-2025-xlt1q-v2

Posted

Apr 08, 2025

Kota Nakano, Nagi Omae, Aika Kuwayama, Kentaro Okano, Masaki Horie, Masahiro Funahashi, Atsunori Mori

Synthesis and properties of PEDOT derivatives bearing an oligosiloxane moiety at the sidechain with a remarkably high electric conductivity by nickel-catalyzed cross-coupling polymerization

10.26434/chemrxiv-2025-9cxnp-v2

Posted

Apr 08, 2025

Roxane Axel Jacob, Oliver Wieder, Ya Chen, Angelica Mazzolari, Andreas Bergner, Klaus-Juergen Schleifer, Johannes Kirchmair

aweSOM: a GNN-based Site-of-Metabolism Predictor with Aleatoric and Epistemic Uncertainty Estimation

10.26434/chemrxiv-2024-pzmqt-v3

Posted

Apr 08, 2025

Jackie T. Yik, Carl Hvarfner, Jens Sjölund, Erik J. Berg, Leiting Zhang

Accelerating Aqueous Electrolyte Design with Automated Full-Cell Battery Experimentation and Bayesian Optimization

10.26434/chemrxiv-2024-mqb6s-v4

Posted

Apr 08, 2025

Wen-Long Xue, Alexander Klein, Mounir El Skafi, Jan-Benedikt Weiß, Felix Egger, Hui Ding, Suresh Vasa, Christian Liebscher, Mirijam Zobel, Rasmus Linser, Jin-Chong Tan, Sebastian Henke

Mechanochemical Synthesis Enables Melting, Glass Formation and Glass-Ceramic Conversion in a Cadmium-based Zeolitic Imidazolate Framework

10.26434/chemrxiv-2025-x9s5h-v2

Posted

Apr 08, 2025

Florian Bogdain, Oliver Kuehn

On the Performance of the Bethe-Salpeter Equation for Electronic Excitations in First-Row Transition Metal Complexes

10.26434/chemrxiv-2025-kbdl0-v2

Posted

Apr 08, 2025

Hedayat Haddadi, Adam Kloskowski

Enhancing ILThermo Reliability for Machine Learning: Statistical Resolution of Conflicted Activity Data

10.26434/chemrxiv-2025-3lmfx

Posted

Apr 08, 2025

Arno Windisch, Peter Pey, Thomas Seidensticker

CO-Degassing in a Segmented Slug Flow Reactor Enables Continuous Linear Alcohol Formation from Alkenes using a single, non-assisted Rh-catalyst by Switching Between Hydroformylation and Aldehyde Reduction

10.26434/chemrxiv-2025-r5jz4

Posted

Apr 08, 2025

Eric Verret, Sophie Duquesne, Anthony Collin, Martin Stievenard

Enhancing Flame Retardancy in Polypropylene Composites: A Bayesian Optimization Approach

10.26434/chemrxiv-2025-hx7pz

Posted

Apr 08, 2025

Emily Verhaeg, Hiromichi Hoshina, Jun Kikuchi, Luca Catalano, Michael Ruggiero

Solving the Cellulose I Polymorphic Structural Riddle: Disorder in Hydrogen Bond Networks Activates Diagnostic Terahertz Dynamics

10.26434/chemrxiv-2025-41pll

Posted

Apr 08, 2025

Rashen Lou Omongos, Diego E. Galvez-Aranda, Francisco Fernandez, András Vernes, Alejandro A. Franco

Digital Correlation Analysis and Optimization of Microporous Layer Through a Machine Learning Workflow for PEMFC Applications

10.26434/chemrxiv-2025-fp3lv

Posted

Apr 08, 2025

Xingyu Zhang, Robert Pöschl, Andreas Ennemoser, Alejandro A. Franco

Nanostructure-informed Multiscale Modeling of Degradation Effects on Proton Conductivity in Nafion® Membranes

10.26434/chemrxiv-2025-5mh0c

Posted

Apr 08, 2025

Rachel Dunscomb, Connor Frye, Xavier Murray, Ian Tonks

1,2-Dihydropyrimidine Synthesis via Titanium-Mediated Multicomponent Coupling of Alkynes, Nitriles, and Aldehydes

10.26434/chemrxiv-2025-phj3p

Posted

Apr 08, 2025

Yuna Oikawa, Takanori Uzawa, Francois Berenger, Noriko Minagawa, Akiko Yumoto, Hideaki Takaku, Ryo Tamura, Yoshihiro Ito, Koji Tsuda

GPepT: A foundation language model for peptidomimetics incorporating non-canonical amino acids

10.26434/chemrxiv-2025-q5347

Posted

Apr 08, 2025

Xinyi Wang, Peng Peng, Matthew Witman, Vitalie Stavila, Mark Allendorf, Hanna Breunig

Technoeconomic Insights into Metal Hydrides for Stationary Hydrogen Storage

10.26434/chemrxiv-2024-gwrzq-v2

Posted

Apr 08, 2025

Arturo Sauza-de la Vega, Andrea Darù, Stephanie Nofz, Laura Gagliardi

Designing Molecular Qubits: Computational Insights into First-Row and Group 6 Transition Metal Complexes

10.26434/chemrxiv-2025-3tg1x-v3

Posted

Apr 08, 2025

Haoyang Wu, Anna C. Doner, Hao-Wei Pang, William H. Green

Toward Accurate Quantum Mechanical Thermochemistry: (2) Optimal Methods for Enthalpy Calculations from Comprehensive Benchmarks of 284 Model Chemistries

10.26434/chemrxiv-2025-t0dzp-v2

Posted

Apr 08, 2025

David Pantoja-Uceda, Douglas Laurents

In Sample pH Measurement by 31P Phosphate NMR

10.26434/chemrxiv-2025-kmpwh

Posted

Apr 08, 2025

Sylwia Jopa, Marek Bukowicki, Alexandra Shchukina, Krzysztof Kazimierczuk

ShimNet: A neural network for post-acquisition improvement of NMR spectra distorted by magnetic-field inhomogeneity

10.26434/chemrxiv-2025-dx4m0

Posted

Apr 08, 2025

Benjamin Laubach, Rebecca Lindsey

Cluster-Graph Fingerprinting: A Framework for Quantitative Analysis of Machine-Learned Interatomic Model Training and Simulation Data

10.26434/chemrxiv-2025-vr0cs

Posted

Apr 08, 2025

Ashley Hastings, Ian Colliard, Derrick Kaseman, Christopher Colla, Gauthier Deblonde

Unlocking Neptunium(IV) Aqueous Chemistry via Polyoxometalate-Mediated Reduction and Stabilization

10.26434/chemrxiv-2025-v43t2

Posted

Apr 08, 2025

Fanny Liu, Mengqi Chai, Tianming Qu, Tyler Cropley, Lianqing Zheng, Wei Yang, Christian Bleiholder

From Solution to Gas Phase: Revealing Ligand-Dependent Confor-mations of Ribonuclease A with Tandem-Trapped Ion Mobility Spectrometry

10.26434/chemrxiv-2025-l5c0z

Posted

Apr 08, 2025

Aarya ., Anna Sebastian, Kavya P., Indrajit Bhattacharjee, Abhishek S. Shekhawat, Bibhu Ranjan Sarangi, Supratik Sen Mojumdar

Mapping the L-tryptophan Capped Copper Nanocluster Mediated Binding and Targeted pH-Responsive Release of Doxorubicin via Fluorescence Resonance Energy Transfer (FRET)

10.26434/chemrxiv-2025-w1n6m

Posted

Apr 08, 2025

Leonel Jimenez Barrios, Manuel Manzanares, Melissa Zamora, Erik Romero

Achieving versatile Cu-catalyzed multicomponent 1,1-aminosilylation reactions from feedstock reagents

10.26434/chemrxiv-2025-zxd32

Posted

Apr 08, 2025

Design of CO2-philic Molecular Units with Large Language Models

Konstantinos Vogiatzis

10.26434/chemrxiv-2025-kg3r1

Posted

Apr 08, 2025

Edgar Olehnovics, Yifei Michelle Liu, Nada Mehio, Ahmad Y Sheikh, Michael Shirts, Matteo Salvalaglio

Lattice free energies of molecular crystals using normalizing flow

10.26434/chemrxiv-2025-92x2f

Posted

Apr 08, 2025

Shi-Wu Li, Shijie Zhu, Yukun Meng

Lewis Acid-Mediated Intermolecular [2π+2σ] Cycloaddition Between Enol Ethers and Bicyclo[1.1.0]butanes

10.26434/chemrxiv-2025-w835z

Posted

Apr 08, 2025

Ji Liu, Jean Pierre Glauber, Julian Lorenz, Detlef Rogalla, Corinna Harms, Anjana Devi, Michael Nolan

Surface Oxidation of Transition Metal Nitrides

10.26434/chemrxiv-2025-pxp49

Posted

Apr 08, 2025

Consumer-funded Policies in Energy Transition: An introduction, an analytical framework and empirical case studies from Germany and the UK

Mehmet Hecan

Posted

Apr 08, 2025

10.33774/apsa-2025-8s6xj

Eliminating the Term Vψ and Coefficient 1/2 From Schrodinger’s Wave Equation

Abolfazl Soltani

10.33774/coe-2024-ztcmw-v6

Posted

Apr 08, 2025

Arman Zhalgasbayev, Nursultan Khaimuldin

OIKAN v0.0.1: Optimized Interpretable Kolmogorov-Arnold Networks

Posted

Apr 08, 2025

10.33774/coe-2025-99prp

Protocol/Methodology

Effectiveness Analysis of Reflective Holographic Defense with AI-Driven Security Solutions

Özgecan Siyez

Posted

Apr 08, 2025

10.33774/coe-2025-wvkbc

Structural, Algorithmic, and Complexity-Theoretic Analyses of Misère Combinatorial Games

Prashanth Prabhala

Posted

Apr 08, 2025

10.33774/coe-2025-nlk9x

INVERSE N-BODY PROBLEM

Mykola Kosinov

10.33774/coe-2025-6pxkg-v2

Posted

Apr 08, 2025

A Potential-Theoretic Approach to the Location of Zeros of the Riemann Zeta Function

Sebastian Dettmers

Posted

Apr 08, 2025

10.33774/coe-2025-wlbmm

Aliasing and Entanglement in the Riemann Zeta Function: A Signal Processing Framework for Zero Formation

Sebastian Dettmers

10.33774/coe-2024-htt7d-v3

Posted

Apr 08, 2025

Ruozhu Feng, Yangang Liang, Tianzhixi Yin, Peiyuan Gao, Wei Wang

Agentic Assistant for Material Scientists

10.26434/chemrxiv-2025-d7c7m

Posted

Apr 09, 2025

Niklas Geue, Tim Renningholtz, George F. S. Whitehead, Grigore A. TImco, Cristina Trujillo, Perdita E. Barran, Richard E. P. Winpenny

Energetics of Carboxylate-Metal Bonds in Polymetallic Rings

10.26434/chemrxiv-2025-plvxm

Posted

Apr 09, 2025

Junkyu Hwang, Na Kyung Kim, Chinedum Osuji

Fouling Resistant Nanofiltration Membranes From Self-Assembled Quaternary Ammonium Monomers

10.26434/chemrxiv-2025-2f3m9

Posted

Apr 09, 2025

Ravisara Wattana, Daehwan Park, Chinedum Osuji

Ion Specific Effects on the Rheology of Cellulose Nanofibrils in the Presence of Salt

10.26434/chemrxiv-2025-jrcmr

Posted

Apr 09, 2025

Mahsa Nazemi Ashani, Alberto Otero-de-la-Roza, Gino A. DiLabio

Constructing Accurate Potential Energy Surfaces with Limited High-Level Data Using Atom-Centered Potentials and Density Functional Theory

10.26434/chemrxiv-2025-3h5p5

Posted

Apr 09, 2025

Christopher Johnson, Ruiqi Dong, Chinedum Osuji

Fast potassium ion transport in sub-1 nm pores of self-assembled polymer membranes derived from linoleic acid

10.26434/chemrxiv-2025-l9qpl

Posted

Apr 09, 2025

Xiao Cui, Shijing Sun, William Chueh

Evaluating and Interpreting the Predictive Power of Features in Battery Lifetime Prediction

10.26434/chemrxiv-2025-pn40x

Posted

Apr 09, 2025

Rebecca Mesburis, Madison Rutherford, Anne V. Handschy, Douglas A. Day, Melissa A. Morris, Anna C. Ziola, Zhe Peng, Joost de Gouw, Jose L. Jimenez

Mitigation of indoor air pollution from air cleaners using a catalyst

10.26434/chemrxiv-2025-4qx6s

Posted

Apr 09, 2025

Clare Hill, Michael Sambor, Peter Wipf

Selective Cycloaddition Reactions of Sulfo-Biginelli Derived 1,2,6-Thiadiazines

10.26434/chemrxiv-2025-hxh9h

Posted

Apr 09, 2025

Carlos Nieto-Draghi, Theodorus De Bruin, Kateryna Voronetska

Molecular simulation of CO2 and H2O adsorption/deformation on model cement materials

10.26434/chemrxiv-2025-vm9n2

Posted

Apr 09, 2025

Thu Phuong Le, Joachim Kohlbrecher, Paula Malo de Molina

Ultrasmall Poly-L-Lysine Nanoparticles

10.26434/chemrxiv-2025-nzp8j

Posted

Apr 09, 2025

Annika E. Esch, Dana C. Schneider, Alena Strüder, Gabriel Castro-Falcon, Giovanni Andrea Vitale, Maximilian Knab, Grant S. Seiler, Tadeusz F. Molinski, Daniel Petras, Evi Stegmann, Heike Brötz-Oesterhelt, Chambers C. Hughes

Designer tetrazine probes for chemical labeling of isocyanide-containing natural products

10.26434/chemrxiv-2025-kng85

Posted

Apr 09, 2025

Angelina Bobrova, Maxim A. Novikov, Julia V. Burykina, Konstantin P. Trainov, Yury V. Tomilov

Disubstituted fluorocyclopropanes for 2-heterosubstituted electron-rich indolizine synthesis

10.26434/chemrxiv-2025-3npnd

Posted

Apr 09, 2025

Nadeem Natt, Benjamin Powell

Photo-induced and Thermal Bistability of Spin Crossover Nano-particles

10.26434/chemrxiv-2025-tgqb3

Posted

Apr 09, 2025

Dwaipayan Roychowdhury, Nick D’Antona, Yang Zhao, Yogesh Surendranath, Veronica Augustyn, Paul Kempler, Shannon Boettcher

Interfacial Proton-Transfer Kinetics Using Model Tungsten Oxide Thin Films

10.26434/chemrxiv-2025-mh3bf

Posted

Apr 09, 2025

Nilangshu Mandal, Guanqi Qiu

How London Dispersion Affects Intrinsic Reactivity

10.26434/chemrxiv-2025-xxmcd

Posted

Apr 09, 2025

Ana Barragán, Goudappagouda -, Manish Kumar, Diego Soler-Polo, Elena Pérez-Elvira, Andrés Pinar Solé, Alba García-Frutos, Zhiqiang Gao, Koen Lauwaet, José M. Gallego, Rodolfo Miranda, David Écija, Pavel Jelínek, Akimitsu Narita, José I. Urgel

Strong Magnetic Exchange Coupling of a Dibenzo-fused Rhomboidal Nanographene and its Homocoupling with Tunable Periodicities on a Metal Surface

10.26434/chemrxiv-2025-l3hxv

Posted

Apr 09, 2025

Edoardo Simonetti, Helen Fielding

On the retrieval of genuine ultraviolet liquid-microjet photoelectron spectra

10.26434/chemrxiv-2025-1hvbm

Posted

Apr 09, 2025

Jonathan Colburn, Simon Lichtinger, Philip Biggin

Advanced computational methods in protein simulations — A case study of enhanced sampling applied to membrane transporters

10.26434/chemrxiv-2025-1r6sv

Posted

Apr 09, 2025

Tridib K. Sarma, Vidhi Agarwal, Vaishali Saini, Aditya Prasun, Nidhi Varshney, Amrita Chakraborty, Hem Chandra Jha

Glutathione-Nucleotide Supramolecular Hydrogels with Intrinsic Antiviral, Antibacterial, and Anticancer Activities

10.26434/chemrxiv-2025-756b5

Posted

Apr 09, 2025

Emilia Tomm, Guido Grundmeier, Adrian Keller

Cost-efficient folding of functionalized DNA origami nanostructures via staple recycling

10.26434/chemrxiv-2025-428nh

Posted

Apr 09, 2025

Katharina Trapp, Jimun Yoo, Maria R. Lukatskaya

The role of Anions and Additives in Electrochemical CO2 Reduction

10.26434/chemrxiv-2025-r530d

Posted

Apr 09, 2025

Icaro A. Simon, Eline Pottie, Kasper Harpsøe, Anders A. Jensen, Jesper L. Kristensen, Christophe P. Stove, Christian B. M. Poulie

Exploring a Druggable Hydrophobic Tunnel in the 5-HT2A Receptor with Potent Phenethylamines

10.26434/chemrxiv-2025-s9rhl

Posted

Apr 09, 2025

Yi Zheng, Taoyi Chen, Valerie Vaissier Welborn

Preorganized electric fields in voltage-gated sodium channels

10.26434/chemrxiv-2024-cm35v-v2

Posted

Apr 09, 2025

Chris Breward, Alan Champneys, Tim Davis, Nam Nguyen, Rowland Seymour

Modelling throughput through the justice system

Posted

Apr 09, 2025

10.33774/miir-2025-pww74

Shaham Quadir, Yungchieh Lai, Melissa Gish, John Mangum, Wayne Zhao, Ruo Xi Yang, Mona Abdelgaid, Christopher Muzzillo, Kristin Persson, Joel Haber, Sage Bauers, Andriy Zakutayev

ZnGa₂Te₄ Thin-Film Photocathodes for Photoelectrochemical CO₂ Reduction

10.26434/chemrxiv-2025-0g7pt

Posted

Apr 09, 2025

Hannes Gustafsson, Fabian Schwarz, Thijs Smolders, Senja Barthel, Amber Mace

Computationally efficient DFT-based sampling of ion diffusion in crystalline solids

10.26434/chemrxiv-2024-2bmxc-v2

Posted

Apr 09, 2025

Ahmed Biby, Basant Ali, Charles Musgrave

Beyond Lithium Lanthanum Titanate: Metal-Stable Hafnium Perovskite Electrolytes for Solid-State Batteries

10.26434/chemrxiv-2025-t9njm-v3

Posted

Apr 09, 2025

Minh Canh Vu, Hrishikesh Srinivasan, Priyadarshini Mirmira, Emily Doyle, Reginaldo Gomes, Chibueze Amanchukwu

A transition-metal-and-solvent-free dual-graphite battery for grid-scale energy storage

10.26434/chemrxiv-2025-lhxgk

Posted

Apr 09, 2025

Roxane Axel Jacob, Angelica Mazzolari, Johannes Kirchmair

Automated Annotation of Sites of Metabolism from Biotransformation Data

10.26434/chemrxiv-2025-wrjm9-v2

Posted

Apr 09, 2025

Helle W. van den Maagdenberg, Jikke de Mol van Otterloo, J. G. Coen van Hasselt, Piet H. van der Graaf, Gerard J. P. van Westen

Integrating Pharmacokinetics and Quantitative Systems Pharmacology Approaches in Generative Drug Design

10.26434/chemrxiv-2025-77hg5-v2

Posted

Apr 09, 2025

Fridolin Saal, Vincenzo Brancaccio, Krzysztof Radacki, Holger Braunschweig, Prince Ravat

Spring-Like Behavior in [8]Helicene Diimides: How Helical Pitch Governs Optical Anisotropy and Electronic Conjugation

10.26434/chemrxiv-2025-m6825-v2

Posted

Apr 09, 2025

Alessandro Amadeo, Marco Francesco Torre, Klaudia Mràzikovà, Franz Saija, Sebastiano Trusso, Jing Xie, Matteo Tommasini, Giuseppe Cassone

Hydrogen Bonds under Electric Fields with Quantum Accuracy

10.26434/chemrxiv-2025-v69sh-v2

Posted

Apr 09, 2025

Praveen Ranganath Prabhakar, Dhiman Ray, Ioan Andricioaei

Discriminant Analysis Optimizes Progress Coordinate in Weighted Ensemble Simulations of Rare Event Kinetics

10.26434/chemrxiv-2024-l8tpq-v2

Posted

Apr 09, 2025

Optimising Bromination of Phenols: Investigating the Role of pH and Oxidizer in Electrophilic Substitution Reaction

Hamdan Malani

10.26434/chemrxiv-2025-xfstq

Posted

Apr 09, 2025

Sujit Kumar Das, Heqi Xi, Itsuki Yamamoto, Katsumasa Fujita, Ankona Datta

Reaction-based Ratiometric Sensors for Imaging Bio-Analytes in Living Cells Using Spontaneous Raman Scattering

10.26434/chemrxiv-2025-j5k0s

Posted

Apr 09, 2025

Alveena Khan, Joseph Flitcroft, Jonathan Skelton

Impact of Crystal Structure on the Thermoelectric Properties of n-Type SrTiO3

10.26434/chemrxiv-2025-0nhsj

Posted

Apr 09, 2025

Zhuang Xu, Ziming Wang, Rui Zhang, Archana Verma, Justin S. Neu, Priyotosh Bairagya, Sanghyun Jeon, Alec M. Damron, Joshua M. Rinehart, Justine S. Wagner, Sina Sabury, Xuyi Luo, Anna M. Österholm, Jianguo Mei, Jeffrey S. Moore, Wei You, John R. Reynolds, Nicholas E. Jackson, Ying Diao

Ubiquitous Chiral Symmetry Breaking of Conjugated Polymers via Liquid-Liquid Phase Separation

10.26434/chemrxiv-2025-l8kj7

Posted

Apr 09, 2025

Hsuan-Hao Hsu, Tianfan Jin, Brett Savoie

Reaction Exploration Reveals Strong Kinetic Filtering in Li-Ion Battery Electrolyte Degradation

10.26434/chemrxiv-2025-xmhjg

Posted

Apr 09, 2025

Bertrand Neyhouse, Grace Cook, Rahul Jha, Anne McNeil

Electrochemical Generation of Chlorine and Hydrogen from Waste Poly(vinyl chloride)

10.26434/chemrxiv-2025-x0922

Posted

Apr 09, 2025

Justin Sperling, Daniel Osbourne, Badri Aekbote, Anthony Perri, Rebecca Setford, Hanyu Gao, Liam Wilson, Chad Sipperley, Rudolf Schick, Caroline Gauchotte-Lindsay, William Peveler, Alasdair Clark

An Integrated Plasmonic Sensing Array for Chemical Fingerprinting and Flavour Profiling in Beverages and Other Liquids

10.26434/chemrxiv-2025-dd7tv

Posted

Apr 09, 2025

Angelo Musicò, Roberto Frigerio, Karl Normak, Sabrina Scolari, Alessandro Gori, Paolo Arosio, Annalisa Radeghieri, Lucia Paolini, Irantzu Llarena, Sergio Moya, Andrea Zendrini, Paolo Bergese

Orthogonal investigation at single-particle and ensemble levels uncovers lipoprotein-extracellular vesicle binding

10.26434/chemrxiv-2025-x10p3

Posted

Apr 09, 2025

Sanjukta Mohan, Debasish Mishra

Bioselective Materials

10.26434/chemrxiv-2025-r4fc9

Posted

Apr 09, 2025

Anal Jana, Yu-Hsuan Chen, Linlin Zhao

Mitochondria-targeting abasic site-reactive probe (mTAP) enables the manipulation of mitochondrial DNA repair and turnover

10.26434/chemrxiv-2025-0nstw

Posted

Apr 09, 2025

Trevor Devine, Dean DeLongchamp, Daniel Sunday, Lilin He, Robert Riggleman, Daeyeon Lee

Suppression of macroscopic phase separation in polymer blends confined within the interstitial pores of dense nanoparticle packings

10.26434/chemrxiv-2025-s0sdh

Posted

Apr 09, 2025

Chloe Wilson, María Calvo, Stamatia Zavitsanou, James Somper, Ewa Wieczorek, Tom Watts, Jason Crain, Fernanda Duarte

Kinetic predictions for SN2 reactions using the BERT architecture: Comparison and interpretation.

10.26434/chemrxiv-2025-0ln4g-v2

Posted

Apr 10, 2025

Linfeng Chen, Erika Samolova, Mingjie Xu, Hang Yin, Hengchuan Zhang, Milan Gembicky, Alina Schimpf

Utilizing Single-Crystalline Transformations for Precise Atom Placement in Multicomponent Cluster-Based Coordination Networks

10.26434/chemrxiv-2025-pl39w

Posted

Apr 10, 2025

Robin Sievers, Nick Hartmann, Paulin S. Riemann, Tim-Niclas Streit, Moritz Malischewski

Photo/Thermally Induced Reversible (De-)Coordination of the Perfluorinated Cp* Ligand in Metallocenes

10.26434/chemrxiv-2025-b52hw

Posted

Apr 10, 2025

Herbert Waldmann, Ruirui Zhang, Jie liu, Raphael Gasper, Petra Janning

Covalent Modification of Glutamic Acid Inspired by HaloTag Technology

10.26434/chemrxiv-2025-70x40

Posted

Apr 10, 2025

Elizabeth Bayne, Zhuo Gao, Yuan Jiang, Raffeal Bennett, Erik Regalado, Gregory Pirrone, Alexey Makarov

Accelerating Biotherapeutics Discovery: Blueprint for a Universal LC-MALDI-MS Offline Approach

10.26434/chemrxiv-2025-q06nv

Posted

Apr 10, 2025

Hudson A. Bicalho, Isabella Lopez-Delgado, Clara V. Diniz, Zoey Davis, Ashlee J. Howarth

Exploring the Synthesis of a Rare-Earth Cluster-Based Metal–Organic Framework Using Alternative Yttrium(III) Precursors

10.26434/chemrxiv-2025-lfsr0

Posted

Apr 10, 2025

Jurgis Ruza, Pablo Leon, KyuJung Jun, Jeremiah Johnson, Yang Shao-Horn, Rafael Gomez-Bombarelli

Benchmarking Classical Molecular Dynamics Simulations for Computational Screening of Lithium Polymer Electrolytes

10.26434/chemrxiv-2025-q4822-v2

Posted

Apr 10, 2025

Mukunda Mandal, Matthew R. Hermes, Fabian Berger, Joachim Sauer, Laura Gagliardi

Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods

10.26434/chemrxiv-2025-4r3vx

Posted

Apr 10, 2025

Shamma Jabeen Proma, Biswajit Biswas, Mohamed Yaseen Noor, Heather C. Allen

Nanoplastic-induced Disruption of DPPC and Palmitic Acid Films: Implications for Membrane Integrity

10.26434/chemrxiv-2024-sfk57-v3

Posted

Apr 10, 2025

Zicheng Yang, Nick D’Antona, Shannon W. Boettcher, Niya Sa

Ion Dynamics and Polarizations in Simulated Nanopore under Alternating Current Controls

10.26434/chemrxiv-2025-zh5x4

Posted

Apr 10, 2025

Saida Cora, Vincent Briselli, Caitlyn M. Cannan, Joel Gardner, Paul A. Kempler, Veronica Augustyn, Shannon Boettcher, Yogesh Surendranath, Niya Sa

A Multiscale Investigation of a Cation Water Exchange Mechanism for Reversible K+ Insertion into Prussian Blue Analogs

10.26434/chemrxiv-2025-99pz9

Posted

Apr 10, 2025

Dmitriy Makarov, Nikolai Kalikin, Yury Budkov, Pavel Gurikov, Sergey Kruchinin, Abolghasem Jouyban, Michael Kiselev

Improved Solubility Predictions in scCO2 Using Thermodynamics-Informed Machine Learning Models

10.26434/chemrxiv-2025-17w5j-v2

Posted

Apr 10, 2025

Yutian Zhang, Jin Qiu, Rui Wang, Xuanying Chen, Qi Zou, He Tian

Precision-Controlled Single-Molecule Piezoelectric Devices

10.26434/chemrxiv-2025-bq360

Posted

Apr 10, 2025

Carbon Quantum Dots Prepared by Hydrothermal Method for Drug Delivery, Photocatalysis, and Bioimaging Applications

Sarmistha Panigrahi

10.26434/chemrxiv-2025-w41l7

Posted

Apr 10, 2025

Yanheng Li, Xiaohan Lin, Yize Hao, Jun Zhang, Yi Qin Gao

MolSculptor: a diffusion-evolution framework for multi-site inhibitor design

10.26434/chemrxiv-2025-v4758

Posted

Apr 10, 2025

Rebecca Brew, Ian Nelson, Meruyert Binayeva, Amlan Nayak, Wyatt Simmons, Joseph Gair, Corin Wagen

Wiggle150: Benchmarking Density Functionals And Neural Network Potentials On Highly Strained Conformers

10.26434/chemrxiv-2025-4mbsk-v3

Posted

Apr 10, 2025

Jetmir Haxhija, Marius Amann, Stefan Günther, Thorsten Koslowski

Binding Free Energy Calculations for Bromodomain Ligands: A Binding Affinity Tool-Based Approach

10.26434/chemrxiv-2025-17m5v

Posted

Apr 10, 2025

Alexander Erhard, Benjamin Falge, Felice Arp, Jesús Lucia Tamudo, Thomas Rittner, Enrico Tapavicza, Patrick Nuernberger, Robert Wolf

Photochemical arylation reactions mediated by a terpyridine cobalt complex

10.26434/chemrxiv-2025-xsbdp

Posted

Apr 10, 2025

Omish Sethi, Akshidha Singla, Gagandeep Singh, Kanica Sharma, Iqbal Singh, Aman Mahajan, Ashwani Kumar Sood, Tejwant Singh KANG

Mechanically Robust, Thermally Stable, and Fully Bio-Sourced Eutectogel Electrolytes for MXene-based Flexible Supercapacitor

10.26434/chemrxiv-2025-97fsb

Posted

Apr 10, 2025

Rachel E. Daso, Robert Posey, Helena Garza, Andrea Perry, Claire Petersen, Annemarie C. Fritz, Jonathan Rivnay, Joshua Tropp

Standardized Electrochemical Characterization of Conductive Hydrogels

10.26434/chemrxiv-2025-6n1bn

Posted

Apr 10, 2025

Xinrui Cai, Alberto Striolo, Matteo Salvalaglio

Unsupervised classification of local clathrate hydrate structures

10.26434/chemrxiv-2025-77q38

Posted

Apr 10, 2025

Clara Freytag, Christin Schuster, Weili Cui, Nikos Tagmatarchis, Rubén Cantón-Vitoria, Lei Shi, Emil Parth, Kazuhiro Yanagi, Paola Ayala, Thomas Pichler

Nitrogen doping of confined carbyne

10.26434/chemrxiv-2025-hhsdw

Posted

Apr 10, 2025

Impact of Octahedral Aluminium Sites on Guest Molecule Adsorption in Zeolites: A Computational Study of 5-Fluorouracil in Zeolite FAU

Michael Fischer

10.26434/chemrxiv-2025-bkwp1-v2

Posted

Apr 10, 2025

Scaling Laws for Electroosmotic Flow of Power-Law Fluids in Fractal Branching Networks

Ashish Garg

10.26434/chemrxiv-2025-17fzm

Posted

Apr 10, 2025

Svetlana Samokhvalova, Kalliopi Fourli, Luis Calahorra Río, Guillermo Monreal Santiago

Sustained formation, movement and destruction of complex coacervates in a waste-less system driven by electricity

10.26434/chemrxiv-2025-k4b3x

Posted

Apr 10, 2025

Tim Veth, Kathryn Kothlow, Nicholas Riley

Understanding m/z range settings for MS/MS scans: a case study with intact glycopeptides

10.26434/chemrxiv-2025-6wsqc

Posted

Apr 10, 2025

Roman Bushuiev, Anton Bushuiev, Raman Samusevich, Corinna Brungs, Josef Sivic, Tomáš Pluskal

Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS

10.26434/chemrxiv-2023-kss3r-v4

Posted

Apr 10, 2025

Prithwa Das, Marco A. Henriquez, Camilo Verdugo, Alan R. Cabrera, Oliver Reiser

1,2-Aminosulfonylation of Alkenes via Photoexcited Cu(I)- Sub-strate Complex: A Three-Component Coupling Approach

10.26434/chemrxiv-2025-c8mdb-v2

Posted

Apr 10, 2025

Raunak Farhaz, Florian A. Bischoff, Simon Blaschke, Stella Stopkowicz

Quantification of the basis set error for molecules in strong magnetic fields and general orientation

10.26434/chemrxiv-2025-zw2bz

Posted

Apr 10, 2025

Jannes Rückel, Tetiana Pavlovska, Martin Gawron, Radek Cibulka, Robert Wolf

Deazaflavin-Catalyzed Arylation of White Phosphorus with Aryl Bromides and Chlorides

10.26434/chemrxiv-2025-v1pj9

Posted

Apr 10, 2025

Mercie Hodges, Ana Paula Kitos Vasconcelos, Laura Reed, Matthew Golder

Crosslinking 1,4-Polybutadiene via Allylic Amination: A New Strategy for Deconstructable Rubbers

10.26434/chemrxiv-2025-z20h3

Posted

Apr 10, 2025

Nicolas Mueller, Jessica Stahl, Julia Stoiber, Burkhard Koenig

Green-light Cerium Photocatalysis enabled by Pyridine N-oxide Ligands

10.26434/chemrxiv-2025-1g91p

Posted

Apr 10, 2025

Neal Munyebvu, Steven Dunn, Philip Howes

A multi-objective platform for autonomous targeting and optimization of colloidal quantum dots

10.26434/chemrxiv-2025-776bz

Posted

Apr 10, 2025

Wesley Hatcher, Satheesh Vanaparthi, Michael Young, Erik Romero

Contrary to Popular Belief, B2pin2 is Not Air Stable

10.26434/chemrxiv-2025-rxj84

Posted

Apr 10, 2025

Charles Harriman, Qia Ke, Thijs Vlugt, Ashlee Howarth, Cory Simon

Optimizing mixtures of metal–organic frameworks for robust and bespoke passive atmospheric water harvesting

10.26434/chemrxiv-2025-k4v52

Posted

Apr 10, 2025

Matheus Maximo-Canadas, Rubens Caio Souza, Julio Cesar Duarte, Jakler Nichele, Leonardo Santos de Brito Alves, Luis Octavio Vieira Pereira, Ligia Gaigher Franco, Itamar Borges Jr

A consistent set of thermophysical properties of methane curated with machine learning

10.26434/chemrxiv-2024-gthhs-v2

Posted

Apr 10, 2025

Chamoni W. H. Rajawasam, Nirob K. Saha, Corvo Tran, Sophia M. Costantino, Michael Weeks, Kathleen McCoy, Jessica L. Sparks, C. Scott Hartley, Dominik Konkolewicz

Programmable Hydrogels by Combining Persistent and Transient Dynamic Bonds

10.26434/chemrxiv-2025-mhl4g

Posted

Apr 10, 2025

Lev Krasnov, Dmitry Malikov, Marina Kiseleva, Sergei Tatarin, Stanislav Bezzubov

BigSolDB 2.0: a dataset of solubility values for organic compounds in organic solvents and water at various temperatures

10.26434/chemrxiv-2025-nq0gr-v2

Posted

Apr 10, 2025

Yan Robles, Ricardo Vessecchi, Ivo Vieira, Raimundo Braz-Filho, Antônio Crotti

Fragmentation of deprotonated plumeran indole alkaloids by electrospray ionization tandem mass spectrometry

10.26434/chemrxiv-2025-n8s5s-v2

Posted

Apr 10, 2025

High throughput tight binding calculation of electronic HOMO-LUMO gaps and its prediction for natural compounds

Sascha Thinius

10.26434/chemrxiv-2025-c51jx-v2

Posted

Apr 10, 2025

Fritz Deufel, Manuel van Gemmeren

Ligand Controlled Regioselectivities in C–H Activation - A Case Study on Approaches for the Rationalization and Prediction of Selectivities

10.26434/chemrxiv-2025-f723q-v2

Posted

Apr 10, 2025

Yichi ZHANG, Ka Lok Chan, Fu Kit Sheong

Navigating the Electronic Grand Potential Surface with Analytical Nuclear Derivatives of Grand-Canonical Density-Functional Theory

10.26434/chemrxiv-2023-gp81w-v5

Posted

Apr 10, 2025

Veronika Šlachtová, Daniel Bím, Krisztina Németh, Eliza Barańska, Simona Bellová, Martin Dračínský, Rastislav Dzijak, Péter Kele, Tomáš Slanina, Milan Vrabel

Fluorescence Quenching Properties and Bioimaging Applications of Readily Accessible Blue to Far-Red Fluorogenic Triazinium Salts

10.26434/chemrxiv-2025-dcpf1-v2

Posted

Apr 10, 2025

Amit Chaudhari, Andrew Logsdail, Andrea Folli

Polymorph-induced reducibility and electron trapping energetics of Nb and W dopants in TiO2

10.26434/chemrxiv-2025-k90kd-v2

Posted

Apr 10, 2025

Vanessa Jerschabek, Chife Fidelis, Melissa Kemesies, Jonas Volmer, Anna Roth, Christian Schwieger, Haleh Hashemi-Haeri, Dariush Hinderberger

Composite hydrogels of phenylalanine dipeptides with trivalent metal cations

10.26434/chemrxiv-2025-fwqng-v2

Posted

Apr 10, 2025

Laura Finck, Valentin Hagemann, Nina Ehlert, Sebastian Polarz, Henning Menzel, Jana Schwieger, Verena Scheper

Ultrathin surface-attached hydrogel coating for potential reversible nanogluing of implants

10.26434/chemrxiv-2024-jrf94-v3

Posted

Apr 10, 2025

Jessica L. Bennett, Sean A. MacIsaac, Jin Li, Metyn B. Rehman, Rae E. Fitzgerald, Amina K. Stoddart, Graham A. Gagnon

Photolysis at the Speed of Light: Chemical Free Degradation of Trace Organic Contaminants by Bespoke Photolysis Using High Intensity UV LEDs

10.26434/chemrxiv-2025-lmb6l

Posted

Apr 10, 2025

Machine Learning-Assisted Parameter Dataset Establishment and Query System Design of the “POSTParamQuery” Web Application within the Preferential Occupancy Site Theory (POST) Framework: Practical Applications in Doped Luminescent Materials

ling li, Xiaoguang Liu

10.26434/chemrxiv-2025-bg7l8

Posted

Apr 10, 2025

Jiawei Guo, Marcos Calegari Andrade, Christopher Hahn, Ambarish Kulkarni, Nitish Govindarajan

Understanding cation and surface charging effects at electrified interfaces using neural network interatomic potentials

10.26434/chemrxiv-2025-076cz

Posted

Apr 10, 2025

Miona Iwai, Shin-ichi Matsuoka

Synthesis of high glass transition temperature (meth)acrylic polymers bearing norbornadiene dimer via Lewis pair polymerization

10.26434/chemrxiv-2025-741q2

Posted

Apr 10, 2025

Hongkun LI, YUNCHEN LONG, JUNDA SHEN, XINXUE TANG, JIAHUA LIU, CHONG WANG, BINBIN ZHOU, BO LI, JING ZHONG, xiao ma, JIAN LU, YANG YANG LI

Concurrent formation of ice network within mineral colloids with suppressed volume expansion

10.26434/chemrxiv-2025-tfbtx

Posted

Apr 10, 2025

Sara Morrell, Christoph Riedl

Human Rights in the Internet Engineering Task Force: Using Large Language Models and Network Analysis to Explore Norm Entrepreneurship

Posted

Apr 10, 2025

10.33774/apsa-2025-q9gdj

Ethan French, Xianqi Deng, Siqi Chen, Cheng-Wei Ju, Xi Cheng, Lijun Zhang, Xiao Liu, Hui Guan, Zhou Lin

Revolutionizing Spectroscopic Analysis Using Sequence-to-Sequence Models I: From Infrared Spectra to Molecular Structures

10.26434/chemrxiv-2025-n4q84

Posted

Apr 11, 2025

Siad Wolff, Matthew J. Evans, Thayalan Rajeshkumar, Dat. T. Nguyen, Konstantin B. Krause, Christian Herwig, Laurent Maron, Cameron Jones, Christian Limberg

Steric Control in Low-Valent Mn Diamide Complexes: Contrasting Magnesium and Manganese in N₂ and Benzene Activation

10.26434/chemrxiv-2025-3wss3

Posted

Apr 11, 2025

Shashank K. Gahlaut, Oscar Avalos Ovando, Ryeong Myeong Kim, Ridwan Hussein, Sabrina Juergensen, Stephanie Reich, Alexander O. Govorov, Ki Tae Nam, Ilko Bald

Amplification of photochemical chiroptical activity of chiral gold nanocubes

10.26434/chemrxiv-2025-dk8bj

Posted

Apr 11, 2025

Zhewei Li, Yanhui Tang, Ming Lei

Unraveling the Role of Counter-Cations in the Pd-Catalyzed Carboxylic Acid C-H Activation

10.26434/chemrxiv-2025-hcpqj

Posted

Apr 11, 2025

Hiroaki Inaba, Hiroki Onoda, Takayuki Uchihashi, Atsunori Oshima, Osami Shoji

Generative protein design meets synthetic porphyrin assembly

10.26434/chemrxiv-2025-5xfm8

Posted

Apr 11, 2025

A Class of Carbon Allotropes: One-Dimensional Interlocked Carbon Chains

Quanjie Zhong

10.26434/chemrxiv-2025-3gk9f

Posted

Apr 11, 2025

Valeria González, Alejandro Pedezert, Lucia Pittaluga, Soledad Gutierrez, Roberto Kreimerman, Ana Inés Torres

Repurposing a conventional oil refinery for biomass processing to aviation fuel: process design and techno-environmental evaluation for a real operating plant

10.26434/chemrxiv-2025-1f1qk

Posted

Apr 11, 2025

Ryan Snyder, Alan Wortman, Yue Xin, Laura Penabad, Lauren Rich, Corinna Schindler, Robert Kennedy, Corey Stephenson

A 3–D Printed Millifluidic Reactor for Continuous Flow Photocatalysis in the Teaching Laboratory

10.26434/chemrxiv-2025-4876z

Posted

Apr 11, 2025

Dylan Fortney, Brett Savoie

Data-driven Coarse-Graining with Simple Functional Forms

10.26434/chemrxiv-2025-k3lng

Posted

Apr 11, 2025

Dimitrios-Ioannis Tzaras, Maximilian Voigtländer, Birte Zimmermann, Tobias Rüffer, Teichert Johannes

Synthesis of a library of bifunctional N-heterocyclic carbene ligand precursors with hydrogen bond donor subunits

10.26434/chemrxiv-2025-570l9

Posted

Apr 11, 2025

Silvia Tea Calzuola, Debora Pinamonti, Francesco Rizzotto, Jeanne Malet-Villemagne, Céline Henry, Christine Péchaux, Jean-Baptiste Blondé, Emmanuel Roy, Marisa Manzano, Goran Lakisic, Sandrine Truchet, Jasmina Vidic

Assessing Campylobacter jejuni Extracellular Vesicle-Host Interaction Using a Microfluidic Platform with Caco-2 Spheroides-on-Chip

10.26434/chemrxiv-2024-jf41x-v2

Posted

Apr 11, 2025

Abraham Alemayehu, Jeanet Conradie, Simon Larsen, Bjørn Cicerôn Lukas Pérez, Nicholas S. Settineri, Abhik Ghosh

Rhenium-Selenido Corroles: Reflections on 5d Metalloporphyrins and Metallocorroles as Triplet Emitters and Photosensitizers

10.26434/chemrxiv-2025-k12gb

Posted

Apr 11, 2025

Massimiliano Lupo Pasini, Pei Zhang, Jong Youl Choi, German Samolyuk, Markus Eisenbach, Ying Yang

Transferable predictions of energetic and structural properties for refractory solid solution alloys across chemical compositions

10.26434/chemrxiv-2025-3lrwh-v2

Posted

Apr 11, 2025

Florian M. Dietrich, Matteo Salvalaglio

On the Reproducibility of Free Energy Surfaces in Machine-Learned Collective Variable Spaces

10.26434/chemrxiv-2025-g6q8f-v3

Posted

Apr 11, 2025

Soosan Bahramian, Fariba Amiri, Uldis Silins, William B. Anderson, Mike Stone, Monica B. Emelko

Methodological considerations for anticipating wildfire ash-associated organic carbon changes in water supplies

10.26434/chemrxiv-2025-gbt98-v2

Posted

Apr 11, 2025

Yi-Fan Hou, Cheng Wang, Pavlo O. Dral

Accurate and Affordable Simulation of Molecular Infrared Spectra with AIQM Models

10.26434/chemrxiv-2024-r5prt-v2

Posted

Apr 11, 2025

Andrei Kolesnikov, Patrick Huber, Michael Fröba, Gennady Gor

Electrosorption-Induced Deformation of Nanoporous Carbons: Solvation Pressure from Molecular Dynamics and Continuum Theory

10.26434/chemrxiv-2025-bgh6n

Posted

Apr 11, 2025

Vignesh Pattathil, Conor Pranckevicius

C=O and C=S bond activation by an annulated 1,4,2-diazaborole

10.26434/chemrxiv-2025-d7wzj

Posted

Apr 11, 2025

Qin Liu, Zhenhao Hou, Yanghong Yu, Zhihengyu Chen, Yucheng Huang, Chuanqiang Wu, Haofan Yang, Wentuan Bi, Karena W. Chapman, Joseph T. Hupp

Low-Temperature Oxidation of Simulated Diesel Exhaust Catalyzed by Polyoxovanadate Clusters Stabilized in the Metal-Organic Framework NU-1000

10.26434/chemrxiv-2025-f87x3-v2

Posted

Apr 11, 2025

Ferdinand L. Pointner, Jonas Poll, Elina K. Taskinen, Vincent George, Tristan Ruff, Florian Rott, Gabriel Mayer, Niklas Gessner, Roger-Jan Kutta, Burkhard König, Patrick Nuernberger, Christian Ochsenfeld, Regina de Vivie-Riedle

Mechanistic study of the light-initiated generation of free diazoalkanes: Towards photo-orthogonal synthesis

10.26434/chemrxiv-2025-n2fzl

Posted

Apr 11, 2025

ARINDAM GUPTA, ANUBHAB PATRA, SANJIT KONAR

Diastereomeric ratio affecting the spin transition behaviour of three Fe4L6 tetrahedral cages in solid and solution phases

10.26434/chemrxiv-2025-zztcc-v2

Posted

Apr 11, 2025

Structure-Based Discovery of a Cryptic Druggable Pocket in TP53 C238Y: Implications for Targeted Therapy

hoosdally shakeel

10.26434/chemrxiv-2025-29bnr-v2

Posted

Apr 11, 2025

Zhiyi Wu, Gerhard Koenig, Stefan Boresch, Benjamin Cossins

Optimizing Absolute Binding Free Energy Calculations for Production Usage

10.26434/chemrxiv-2025-q08ld-v2

Posted

Apr 11, 2025

Yuxinxin Chen, Pavlo O. Dral

AIQM2: Organic Reaction Simulations Beyond DFT

10.26434/chemrxiv-2024-j8pxp-v2

Posted

Apr 11, 2025

Aleksandra A. Vidyakina, Sergey A. Silonov, Alexander Y. Ivanov, Elena A. Shpakova, Mia D. Kim, Ekaterina P. Podolskaya, Alexey S. Gladchuk, Irina A. Balova, Stefan Bräse, Natalia A. Danilkina

Dual Organelle Targeting for Intra-Organelle Click: Mitochondria and Endoplasmic Reticulum-Directed Benzothiophene-Fused Cycloalkyne Probes

10.26434/chemrxiv-2025-hxm34-v2

Posted

Apr 11, 2025

Rosanna Le Scouarnec, Emmanuel Ibarboure, Lena Léna Alembik, Sébastien Lecommandoux, Jeanne Leblond Chain, Colin Bonduelle

Membrane-anchored polyproline provides protein-like multimerization, controlled permeability and release from lipid vesicles

10.26434/chemrxiv-2025-wkpfs-v2

Posted

Apr 11, 2025

Agnes Szabados, Zsuzsanna É. Mihálka, Péter Surján

Orbital Optimization with Spin-unrestricted and Projected Geminals Reference

10.26434/chemrxiv-2025-zt7ks-v2

Posted

Apr 11, 2025

Clorice Reinhardt, David Kastner, Heather Kulik

Role of Active Site Residues and Weak Noncovalent Interactions In Substrate Positioning in N,N-Dimethylformamidase

10.26434/chemrxiv-2025-mkrnn-v2

Posted

Apr 11, 2025

Nahid Afrin, Shankar Dutt, Alexander Kiy, Vincent Craig, Maria Eugenia Toimil-Molares, Patrick Kluth

Charge-based molecular separation using conical nanopores in SiO2 membranes

10.26434/chemrxiv-2025-b0sq1-v2

Posted

Apr 11, 2025

Rosaria Ciriminna, Rafael Luque, Cristina Della Pina, Mario Pagliaro

Communicating Chemistry Innovation to the Public

10.26434/chemrxiv-2024-rllrl-v2

Posted

Apr 11, 2025

Kai Xiang Chong, Qusai Alsabia, Zuyang Ye, Andrew McDaniel, Douglas Baumgardner, Dianne Xiao, Shijing Sun

Controlling Metal-Organic Framework Crystallization via Computer Vision and Robotic Handling

10.26434/chemrxiv-2025-nq31g

Posted

Apr 11, 2025

Xu Liu, Steven Adelmund, Shahriar Safaee, Wenyang Pan, Robert Shepherd, Thomas Wallin

Soft Photo-Ionotronics

10.26434/chemrxiv-2025-44hpz

Posted

Apr 11, 2025

Danila Shiryaev, Yujing Sun, Emil Jaffal, Anton Oliynyk

Exploring Feature Engineering for Crystal Structure Classification: Interactive Applications of PCA and PLS-DA Clustering

10.26434/chemrxiv-2025-235nn

Posted

Apr 11, 2025

Zhe Peng, Ben Ma, Daven Henze, Shelly Miller, Joost de Gouw, Jose Jimenez

Is there an optimal wavelength for germicidal ultraviolet air disinfection?

10.26434/chemrxiv-2025-0zx0w

Posted

Apr 11, 2025

Jia Wang, Henry Opoku, Junkai Ren, Peijuan Zhang, Xin Zhou, Sikha Sanjay Menon, Shi Tang, Dongfeng Dang, Leif J. Jönsson, Ludvig Edman

Tunable Multicolor Luminescent Carbon Dots from Birch Leaves via a Sequential Segregation Approach

10.26434/chemrxiv-2025-mmjvq

Posted

Apr 11, 2025

Karolina Hurej, Dominika Elmerych, Kinga Szydełko, Audrey Pranowo

1,2-Dibromoarylalkanes from simple hydrocarbons. DDQ-mediated one-pot reaction.

10.26434/chemrxiv-2025-1d7gd

Posted

Apr 11, 2025

Lucie Lindenbeck, Silas Brand, Finn Schatz, Franka Stallmann, Nele Petersen, Björn Beele, Jessica Pichler, Marcella Frauscher, Raphaela Süss, Pascal Olschowski, Serhiy Budnyk, Adam Slabon, Bruno Vinicius Manzolli Rodrigues

One-Pot Electrocatalytic Lignin Depolymerization with In-Situ Extraction: A Feasible Approach Toward Biomass-Based Oils

10.26434/chemrxiv-2025-1jl0d

Posted

Apr 11, 2025

Ruth Pollard, Ashanti Leone, Paul Waddell, Mark Sims, Jonathan Knowles, Marc Etherington

Long-lived photoluminescence of unnatural quinine analogues

10.26434/chemrxiv-2025-438hg

Posted

Apr 11, 2025

Edis Crnovrsanin, Sourjya Mal, Manuel van Gemmeren

Synthesis of γ-Alkylidene Lactones via Molecular Stitching of Carboxylic Acids and Olefins

10.26434/chemrxiv-2025-sjd1z

Posted

Apr 11, 2025

Yi-Xuan Fu, Wu-Yingzheng Guo, Zhi-Wen Li, Min Li, Xuan-Jian Peng, Yin-Hua Li, Jun Yin, Da-Wei Wang, Guang-Fu Yang

Monitoring the Nuclear-Cytosolic Shuttling and Phosphorylation Level of Class IIa Histone Deacetylases by Small-Molecule Fluorogenic Probe

10.26434/chemrxiv-2025-mnd49

Posted

Apr 11, 2025

Hongyang Dong, Simon D.M. Jacques, Evangelos Papoutsellis, Andrew M. Beale, Antonis Vamvakeros

BeamStop: A software for analysing chemical imaging and tomography data

10.26434/chemrxiv-2025-m1v5v

Posted

Apr 11, 2025

Diego Hunt, László Turi, Daniel Laria, Krisztián Golobits

Isomerization-assisted Proton Transfers in MeOH-(H2O)2H+

10.26434/chemrxiv-2025-w4259

Posted

Apr 11, 2025

Cécilia Hognon, Ameni Ben Abdeljaoued, Pierre Hardouin, Mélanie Etheve-Quelquejeu, Bruno Sargueil, Damien Laage, Elisa Frezza

Molecular insights on the pre-reactive complex between SHAPE probe and RNA molecules and its role in the SHAPE reaction: a multiscale study

10.26434/chemrxiv-2025-2thnz

Posted

Apr 11, 2025

Emma Granqvist, Rocío Mercado, Samuel Genheden

RetroSynFormer: Planning multi-step chemical synthesis routes via a Decision Transformer

10.26434/chemrxiv-2025-kd6gb

Posted

Apr 11, 2025

Michael Bogdos, Sven Roediger, Florian Ruepp, Patrick Müller, Nathalie Rowlinson, Fabio Masero, Bill Morandi

Metal Electronics Mediate Steric and Coordination Number Effects on Palladium (II) C–X Reductive Elimination

10.26434/chemrxiv-2025-zm58k

Posted

Apr 11, 2025

Tongwei Wu, Xiaoxi Guo, Guangjie Zhang, Yanning Zhang, Li Song, Zheng Liu, Marko M. Melander, Karoliina Honkala

Potential-dependent polaron formation activates TiO2 for the hydrogen evolution reaction

10.26434/chemrxiv-2024-j7thd-v2

Posted

Apr 11, 2025

Abdeslam Aabidi El Moussati

Symbolic Primality Certification via Modular Irreducibility: The AMIT Framework

Posted

Apr 12, 2025

10.33774/coe-2025-z7nc0

Hubble Parameters from the Geometric mean Approach Tcmb,t = Sqr(Tmax*Tmin,t), the Link to The Hawking Temperature and The Planck Scale

Espen Haug

Posted

Apr 12, 2025

10.33774/coe-2025-8s2q4

The Correlation Between Gravitational Constant and Distance from Matter

Abolfazl Soltani

10.33774/coe-2021-wh659-v10

Posted

Apr 12, 2025

The Butterfly Effect and the End User: How Small Actions Have a Big Impact on Cybersecurity

Özgecan Siyez

Posted

Apr 12, 2025

10.33774/coe-2025-nc5vr

MD Arfan Hossain, Zahid Hasan Reyad

Exploring the Gender equality in the lens of proposed constitution: A Focus on socio-legal condition of Hijras in Bangladesh

Version undefined posted 13 April 2025

Posted

Apr 13, 2025

10.33774/coe-2025-wnxsw

Version undefined posted 13 April 2025

Climate-First Innovation Ecosystems: Entrepreneurship and Sustainability in the Transition to a Regenerative Economy

Ola Farid

Posted

Apr 13, 2025

10.33774/coe-2025-7fk67

Optionality and employability in political studies assessment

Jeremy Moulton

Posted

Apr 14, 2025

10.33774/apsa-2025-w3bf7

Adam Suppes, Galen Suppes

Extended Implications of Racecar Ground-Effect Machines

Posted

Apr 14, 2025

10.33774/coe-2025-9xnch

The seven-dimensional universe

Sasidhar Kesanasetty

10.33774/coe-2022-68929-v52

Posted

Apr 14, 2025

The Einstein’s Kinetic Energy: Is it valid?

Chinnaraji Annamalai

10.33774/coe-2025-7ptvv-v2

Posted

Apr 14, 2025

Laurent Series and the Algebraic Structure of the Formal Laurent Series Ring

WEN-XIANG CHEN

Posted

Apr 14, 2025

10.33774/coe-2025-3793f

Philosophical and mathematical reflection on Riemann’s hypothesis. I Reframing in Hilbert arithmetic

Vasil Penchev

Posted

Apr 14, 2025

10.33774/coe-2025-4bm72

Collatz Sequence Proof (1st Way)

Taha Muhammad

10.33774/coe-2024-c4f7p-v11

Posted

Apr 14, 2025

Unification of Electromagnetic force and Gravitation

zheng shengming

Posted

Apr 14, 2025

10.33774/coe-2025-8p4m5

When Periodicity Fails to Guarantee the Existence of Rotation

Walid OUKIL

10.33774/coe-2025-xjhtm-v2

Posted

Apr 14, 2025

A Discussion on the Description of Geometric Models in the Langlands Program Using Laurent Series

WEN-XIANG CHEN

Posted

Apr 14, 2025

10.33774/coe-2025-f9kft

Zahid Hasan Reyad, Suraya Najnin, M. Istiaque Hossain, MD Arfan Hossain

Trias Politica in the Proposed Constitutional Framework: A study of Bangladesh

Posted

Apr 14, 2025

10.33774/coe-2025-00jm0

Hussien H. Osman, José Luis Rodrigo-Ramón, Shafi Ullah, Enrico Bandiello, Daniel Errandonea, Óscar Gomis, Tania García-Sánchez, Pablo Botella, Robert Oliva, Plácida Rodríguez-Hernández, Alfonso Muñoz, Catalin Popescu, Frederico Alabarse, Francisco Javier Manjón

Unconventional electron-deficient multicenter bonds in AIO3 perovskites

10.26434/chemrxiv-2025-t82dg

Posted

Apr 15, 2025

Bharat Poudel, Joshua J. Whiting, Juan M. Vanegas, Susan B. Rempe

Thermal Degradation Energy Landscapes of Fluorofentanyls: Probing the Mechanisms and Energetics of Bond Breaking

10.26434/chemrxiv-2025-knqc8

Posted

Apr 15, 2025

Frederico Duarte, Diogo Torres, Georgi M. Dobrikov, Atanas Kurutos, Oleksandr Bondarchuk, Luisa B Maia, Ivaylo Slavchev, José Luis Capelo-Martínez, Hugo M Santos, Carlos Lodeiro

Harnessing Valence Tautomerism and CHEF Effect for Distinctive Sensing of Hg(II) and Cu(II) Using Dyad Fluorophores

10.26434/chemrxiv-2025-ms1vj

Posted

Apr 15, 2025

Sebastian Bergwinkl, Carina Allacher, Karina Heilmeier, Roger Jan Kutta, Bernhard Dick, Patrick Nuernberger

Ultrafast Studies of Different Oxidation and Protonation States of Rhodamine 6G and Implications for Photocatalysis

10.26434/chemrxiv-2025-mg7dk

Posted

Apr 15, 2025

Anna Szymańska, Marcin Król, Krzysztof Baczyński

Comparative Analysis of Molecular Embeddings for Efficient Compound Similarity Search Using Vector Databases

10.26434/chemrxiv-2025-zvgwq

Posted

Apr 15, 2025

Fang Chen, Jian Li, Hans Renata

Development of Sclareol- and Sclareolide-Based Chemoenzymatic Approaches to Ring Intact and Seco Limonoids

10.26434/chemrxiv-2025-ftj6v

Posted

Apr 15, 2025

Sonia Cambiaso, Davide Bochicchio, Roshan Shrestha, Giulia Rossi, Luca Monticelli

Martini 3 coarse-grained model for chitosan with tunable acetylation

10.26434/chemrxiv-2025-qb3n5

Posted

Apr 15, 2025

A. Najla Hosseini, Kristian Kriz, David van der Spoel

Accurate Electrostatics for Biomolecular Systems through Machine Learning

10.26434/chemrxiv-2025-q2v9m

Posted

Apr 15, 2025

Antonia Herzog, Haldrian Iriawan, Yang Shao-Horn

Unveiling Solid Electrolyte Interphase Dynamics in Electrochemical Lithium-Mediated Ammonia Synthesis via Operando Raman Spectroscopy

10.26434/chemrxiv-2025-m2jf3

Posted

Apr 15, 2025

Aaron T. Wecksler, Lingfei Wang, Lisa J. Bernstein, Richard Y.-C. Huang, Sayan Gupta, Line G. Kristensen, Corie Y. Ralston, Frank Sobott, Yan Sun, Michael Brenowitz, Erik R. Farquhar, Mark R. Chance, Xinyi Cynthia Kuang, Michael L. Gross, Lisa M. Jones, Sandeep K. Misra, Joshua S. Sharp

Recommendations and Considerations for Hydroxyl Radical Protein Footprinting - Mass Spectrometry

10.26434/chemrxiv-2025-2rp6h

Posted

Apr 15, 2025

Shyam Sathyamoorthi, Gour Mandal, Shifali Choudhary, Steven Kelley

Stereoselective Preparation of (4S)-1-Methyl-4-Propyl-L-Proline Commencing from (cis)-4-Hydroxy-L-Proline

10.26434/chemrxiv-2025-jk1tq

Posted

Apr 15, 2025

Wen-Yang Jao, Dina Sheyfer, Jean-Sebastian Micha, Aakriti Aggarwal, Hailey Higdon, Chi-Chang Hu, J.X. Kent Zheng

Dendritic Growth in Battery Anodes: On the Hidden Role of Crystallographic Anisotropy at Propagating Electrochemical Interfaces

10.26434/chemrxiv-2025-tsf82

Posted

Apr 15, 2025

Wu-Yingzheng Guo, Yi-Xuan Fu, Yan-Hui Deng, Min Li, Xuan-Jian Peng, Zhi-Wen Li, Da-Wei Wang, Jun Yin, Ying Ye, Guang-Fu Yang

Monitoring Intestinal Health Condition Using 5-Hydroxytryptamine Activated Fluorescent Probe

10.26434/chemrxiv-2025-7dpz4

Posted

Apr 15, 2025

Yan Zhao, Silvano Valandro, Muhammed Younus, Habtom Gobeze, Kirk Schanze

Solvent-Switched Photoinduced Charge and Energy Transfer in pi-Conjugated Diblock Oligomers

10.26434/chemrxiv-2025-8wmcs

Posted

Apr 15, 2025

Bujin Bekbulat, Alper Unal, Arushi Sharma, Joshua Apte, Julian Marshall

Changes in PM2.5-attributable mortality in the US by sector, 2002-2019

10.26434/chemrxiv-2025-m6n6q

Posted

Apr 15, 2025

Pramod K. Verma, Samir Kumar Nayak, Khushboo Bhardwaj, Sharma S. R. K. C. Yamijala

Realizing Direct Hot-Electron Transfer from Metal Nanoparticles to Per- and polyfluoroalkyl Substances

10.26434/chemrxiv-2025-crkhj

Posted

Apr 15, 2025

Samikshan Jana, Daniel Kusza, Nikita Vystavkin, Danijela Lunic, Christopher Teskey

Markovnikov Hydrocarboxylation Enabled by Reductive Cobalt Catalyzed Hydrogen-Atom-Transfer

10.26434/chemrxiv-2025-5qlx0

Posted

Apr 15, 2025

Devi Sietaram, Pavlos Kotidis, Gary Finka, Alexei Lapkin

Multi-cell line kinetic modelling of CHO fed-batch production runs to assess clone variability

10.26434/chemrxiv-2025-pjhff

Posted

Apr 15, 2025

Borja Taboada-Seras, Carlos Santiago, Eider Sustatxa, Asier Carral-Menoyo, Nuria Sotomayor, Esther Lete

Microwave assisted Cobalt(III)-catalysed C-H aminocarbonylation reactions with isocyanates for the synthesis of thiophenecarboxamides

10.26434/chemrxiv-2025-4t7q3

Posted

Apr 15, 2025

Sajan Pradhan, Fahimeh Mohammadi, Rikuo Tanase, Kazuma Amaike, Kenichiro Itami, Jean Bouffard

C–H Amination of Unactivated Arenes and Heteroarenes Through a Dearomative (3+2) Cycloaddition

10.26434/chemrxiv-2024-mj889-v2

Posted

Apr 15, 2025

Carlotta E. A. Blamey-Beccaria, Michael A. Parkes, Jinjie Li, Christoph G. Salzmann

Ice-nucleation properties of aluminum surfaces

10.26434/chemrxiv-2025-2hb7h

Posted

Apr 15, 2025

Rachel Smith, Catherine Brookes, Michael Morris, Perdita Barran

Twenty-Five years of High-throughput Screening of Biological Samples with Mass Spectrometry: Current Platforms and Emerging Methods

10.26434/chemrxiv-2025-db46t

Posted

Apr 15, 2025

Thomas Plé, Olivier Adjoua, Anouar Benali, Evgeny Posenitskiy, Corentin Villot, Louis Lagardère, Jean-Philip Piquemal

A Foundation Model for Accurate Atomistic Simulations in Drug Design

10.26434/chemrxiv-2025-f1hgn-v2

Posted

Apr 15, 2025

Zhou Wei, Chengbo Yao, Shahar Dery, Jonas Grings, Wei Wang, Enzo Brack, James Paterson, Jamie Southouse, Christophe Copéret

Disentangling interfacial and alloying effects in bimetallic PtCr- reverse water gas shift catalysts

10.26434/chemrxiv-2025-3vj48

Posted

Apr 15, 2025

Michelle Ernst, Jürg Hutter, Stefano Battaglia

Extensive band gap tunability in covalent organic frameworks via metal intercalation and high pressure

10.26434/chemrxiv-2025-4vprm

Posted

Apr 15, 2025

Jennifer Johns, Mukul Mahanti, Thomas Hansen, M. Carmen Galan

Hypervalent Chalcogenonium H-Bonding Organocatalysis for the Direct Stereoselective Synthesis of Deoxyglycosides

10.26434/chemrxiv-2024-26z3t-v2

Posted

Apr 15, 2025

Frances Houle, Peter Agbo, Junko Yano

Insights from designing an artificial cascade catalysis system using principles from substrate channeling in enzymes

10.26434/chemrxiv-2025-6vgg9-v2

Posted

Apr 15, 2025

Hari Akula, Goutam Ghosh, Alexander Greer, Padmanava Pradhan, Mahesh Lakshman

Catalyst controlled N6 versus Cvinyl arylation of 8-vinyl adenine nucleosides, sequential Cvinyl, N6-diarylation, fluorescence properties, and computational evaluations

10.26434/chemrxiv-2025-pd1kz

Posted

Apr 15, 2025

Robin Wessling, Kylie Chinner, Paula Wenz, Clara Douglas, Oliver Dumele, Birgit Esser

Enhanced Solubility and Deprotection of Pyrene-4,5,9,10-tetraones through Propylene Glycol and Propane Diol Protection

10.26434/chemrxiv-2025-177ls

Posted

Apr 15, 2025

Anshika Maheshwari, Rebecca Dookie, Meztlli O. Gaytán, Birgitta Henriques-Normark, Georgios A. Sotiriou

In Vitro Evaluation of Flame-Made Calcium Phosphate Nanoparticles for Antigen Delivery and Immunostimulation

10.26434/chemrxiv-2025-gr752

Posted

Apr 15, 2025

Eric Vanhauwaert, Lindy Carmichael, Irina Nistorescu, Leigh Crilley, Chubashini Shunthirasingham, Hayley Hung, Cora Young, Trevor VandenBoer

Selective ultra-trace atmospheric passive sampling of gaseous perfluoroalkyl carboxylic acids

10.26434/chemrxiv-2025-jdn2x

Posted

Apr 15, 2025

Chenghao Zhang, Amke Nimmrich, Britta A. Johnson, Gregory K. Schenter, Munira Khalil, Niranjan Govind

Accelerating Instanton Theory with the Line Integral Nudged Elastic Band Method and Gaussian Process Regression

10.26434/chemrxiv-2025-lvfbr

Posted

Apr 15, 2025

New type of energy-saving electric drive: the most efficient way to save energy.

Valeriy Dudarev

Posted

Apr 15, 2025

10.33774/coe-2025-cd47t

Magnetic levitation, based on the weakening of the effect of one of the magnetic fields on the source of another magnetic field when two magnetic fields interact.

Valeriy Dudarev

Posted

Apr 15, 2025

10.33774/coe-2025-grvq0

Einstein and Bohr Finally Reconciled on Quantum Theory: The Theory of Entropicity (ToE) as the Unifying Resolution to the Problem of Quantum Measurement and Wave Function Collapse. A Befitting Contribution to this Year’s Centennial Reflection and Celebration of the Birth of Quantum Mechanics

Posted

Apr 15, 2025

10.33774/coe-2025-vrfrx

The theory of concomitant forces

Dipeng Li

Posted

Apr 15, 2025

10.33774/coe-2025-k8nll

Xiaocui Wan, Wenjing Zhu, Huimin Wei, Yanni Zhang, Fenghao Zheng, Hua Zhang, Ying Chen, Junhao Xue, Yuxuan Wang, Gemin Fang

Omniligase-1 mediated peptide cyclization for phage display

10.26434/chemrxiv-2025-58n67-v2

Posted

Apr 15, 2025

Nathaniel Sturniolo, Yunchen Yu, Malak Rayes, Krista Hirsch, Emily Huntley, Bryan Kaehr, Steve Marschner, Lauren Zarzar

Synergistic diffraction and multibounce reflection interference within single iridescent microstructures

10.26434/chemrxiv-2025-jj146

Posted

Apr 15, 2025

Tianye Zheng, Haihong Bao, Feifan Chen, Jingwen Wu, Pengcheng Zhao, Hoi Lut Ho, Shoufei Gao, Yingying Wang, Jiaqiang Huang, Leiting Zhang, Steven Boles, Wei Jin

Operando monitoring of gassing dynamics in lithium-ion batteries with optical fiber photothermal spectroscopy

10.26434/chemrxiv-2025-ct3wn

Posted

Apr 15, 2025

Nidhi Sharma, Divyansh Mohit, Nagar Nikunj Rameshchandra, Afroz Ahmed, Ashish Garg

Modeling Flame Stabilization in Scramjet Combustors Using a Novel Dual-Rocket Strut with Semi-Circular Trailing Edge

10.26434/chemrxiv-2025-55wqj

Posted

Apr 15, 2025

Rafael G. Uceda, Sandra Miguez-Lago, Carlos M. Cruz, Sara P. Morcillo, Luis Álvarez de Cienfuegos, Victor Blanco, Araceli G. Campaña, Maria Ribagorda, Delia Miguel, Juan M. Cuerva

Do’s and don’ts when visiting circularly polarized luminescence

10.26434/chemrxiv-2025-tqz5g-v2

Posted

Apr 15, 2025

Pedro Ouro, Álvaro Cuevas, Johannes Liessem, Dariusz Mitoraj, Radim Beranek, Eva Díaz, Salvador Ordóñez, Ildefonso Marin-Montesinos, Daniel Pereira, Mariana Sardo, Igor Krivtsov, Luís Mafra, Marina Ilkaeva

Crystallinity-Enhanced CO2 Adsorption by Sodium Poly(Heptazine Imide) Frameworks

10.26434/chemrxiv-2025-1m1ss-v2

Posted

Apr 15, 2025

Ruqaya Buhaibeh, Neethu Thyagarajan, Guillaume Bousrez, Louis Monsigny, Thibault Cantat, Emmanuel Nicolas

Scandium-catalyzed highly selective deoxygenation of alcohols using hydrosilanes as reductants

10.26434/chemrxiv-2025-r5fbh

Posted

Apr 15, 2025

Kanata Wada, Yutaro Kuramoto, Takuya Ogaki, Takuma Sakata, Yasunori Matsui, Keiji Okada, Hiroyasu Sato, Hiroshi Ikeda

Magic Blue-Promoted Synthesis of a Highly Planar Tetraphenylbenzidine: Evaluation of Its Fundamental Properties and Unraveling the Intriguing Mechanism for Its Formation

10.26434/chemrxiv-2025-w76bq

Posted

Apr 15, 2025

Zahid Hasan Reyad, Mohammad Moin Uddin Chowdory, Meher Afroz Aneey, Asifur Rahman, MD Arfan Hossain, M. Istiaque Hossain, MD Zakir Hossan, Mokarram Hossain

Public opinion transforms legislative decisions in Bangladesh: A Case Study focusing on the Constitutional law

Posted

Apr 15, 2025

10.33774/coe-2025-rdkkp

Feng Liang, Heejung Kong, Diwakar Suresh Babu, Roel van de Krol, Fatwa Firdaus Abdi

Operating photoelectrochemical water splitting cells at elevated pressure

10.26434/chemrxiv-2025-gm0k6

Posted

Apr 16, 2025

Bumjoon Seo, Qixuan Hu, Zitang Wei, Xuyi Luo, Letian Dou, Brett Savoie

Design Rules for Thermally Depolymerizable Polybutadienes

10.26434/chemrxiv-2025-bc2gk

Posted

Apr 16, 2025

Nagi Omae, Aika Kuwayama, Kota Nakano, Kentaro Okano, Masaki Horie, Masahiro Funahashi, Atsunori Mori

Synthesis of Poly(ethylenedioxythiophene) (PEDOT) Derivatives bearing Oligosiloxane Moiety at the Side Chain with Oxidative and Electrolytic Polymerization

10.26434/chemrxiv-2025-0qnhg-v2

Posted

Apr 16, 2025

Biohydrogen Production via Genetically Optimized Dual-Stage Fermentation with Directed CO2 Capture and Biological Recycling: A Theoretical Framework

Rafsan Aziz Khan

10.26434/chemrxiv-2025-15qjn-v2

Posted

Apr 16, 2025

Sucheol Shin, Mauro Mugnai, Dave Thirumalai

Water-mediated interactions between glycans are weakly repulsive and unexpectedly long-ranged

10.26434/chemrxiv-2025-n2c32-v2

Posted

Apr 16, 2025

Máté Füredi, Andrei Kolesnikov, Anqi Wang, Klara Burdova, Natan Abelian, Iguodala Sunshine, Bálint Fodor, Gennady Gor, Qilei Song, Stefan Guldin

Disentangling Adsorption and Absorption in Microporous Polymers

10.26434/chemrxiv-2025-5l0cw

Posted

Apr 16, 2025

Subrata Ghosh, Yifan Zhang, Agnieszka Jastrzębska, Carlo Casari

KOH-Activated Micrometre-Thick Amorphous Carbon Nanofoam as Binder-Free Supercapacitor Electrode with High-Rate Performance

10.26434/chemrxiv-2025-vslch

Posted

Apr 16, 2025

Garrett Larson, Tanzil Mahmud, Ilya Dergachev, Casey Philbin, Yingshi Feng, Celso de Oliveira, Henry Sun, Matthew Tucker, Sergey Varganov, Christopher Jeffrey

Revision of the Structure of Scytonemin Imine and Its Relationship to Scytonemin: Chromism and Implications for Astrobiology and Cyanobacterial Adaptability

10.26434/chemrxiv-2025-1h82q

Posted

Apr 16, 2025

Unlocking the full potential of platinum group metals with simpler and more sustainable syntheses of nanomaterials

Jonathan Quinson

10.26434/chemrxiv-2025-2m4ss

Posted

Apr 16, 2025

Energetic and Structural Dynamic Drivers of Transcription Factors MycMax, Omomyc homodimer, and MaxMax Recognition on DNA

Carmen Al Masri, Jin Yu

10.26434/chemrxiv-2025-04q7d

Posted

Apr 16, 2025

Ankit Pandey, Gustavo J. Costa, Alam Mushfiq, Bill Poirier, Ruibin Liang

Development of Parallel On-the-Fly Crystal Algorithm for Reaction Discovery in Large and Complex Molecular Systems

10.26434/chemrxiv-2025-9hcdq-v3

Posted

Apr 16, 2025

Shun Ohta, Momo Ishii, Tatsunari Murakami, Masaaki Okazaki

Guest Exchange as a Synthetic Strategy for Hydrogen-Bonded Organic Frameworks

10.26434/chemrxiv-2025-tp1fn

Posted

Apr 16, 2025

Animesh Karmakar, Dhananjay Gupta, Tarak Karmakar

Understanding Dynamics of Nanocluster-Organic Frameworks and Gas Diffusion from Machine Learning Potential-based Simulations

10.26434/chemrxiv-2025-xxwgf

Posted

Apr 16, 2025

Liangyue W. Drew, Michael K. Gilson

A simple, polarizable, rigid, 3-point water model using the direct polarization approximation

10.26434/chemrxiv-2025-b18hr

Posted

Apr 16, 2025

Nanditha Kattukudiyill Narayanan, Laurent Lefort, Maëva Mercier, Soufyan Jerhaoui, Michael Schnürch

A Low-Yield Reaction Is Still a Result: A Study on Grignard Reagent Free Cobalt Catalyzed C(sp2)-H Arylation

10.26434/chemrxiv-2025-qw468

Posted

Apr 16, 2025

Alessandro Landi, Francesco Ambrosio, Anna Leo, daniele Padula, Giacomo Prampolini, Andrea Peluso

Effect of Thermal Disorder on the Electronic Structure and the Charge Mobility of Acenes

10.26434/chemrxiv-2025-z67cw

Posted

Apr 16, 2025

Hoang Linh Phan, Pascal Retailleau, Sandy Desrat, Fanny Roussi

Biomimetic total synthesis of sarglamides A, B, C, unnatural-natural sarglamide G and their enantiomers

10.26434/chemrxiv-2025-65zwn

Posted

Apr 16, 2025

Maximilian Mellin, Marziyeh Moktharpour, Elham Mohseni, Robert Phillips, Gennady Cherkashinin, Wolfram Jaegermann, Jan Philipp Hofmann

Voltage-dependent charge compensation mechanism and cathode electrolyte interface stability of the lithium-ion battery cathode materials LiNi0.6Mn0.2Co0.2O2, LiNi0.8Mn0.1Co0.1O2 and LiNi0.80Co0.15Al0.05O2 studied by photoelectron spectroscopy

10.26434/chemrxiv-2025-s4hrh

Posted

Apr 16, 2025

Natasha Videcrantz Faurschou, Christian Marcus Pedersen

Reaction Discovery Using Bayesian Optimization: Lithium Salt Directed Stereoselective Glycosylations

10.26434/chemrxiv-2025-7bqjj

Posted

Apr 16, 2025

Salahuddin S. Attar, Flavia Artizzu, Luca Pilia, Angela Serpe, Alessia Colombo, Claudia Dragonetti, Francesco Fagnani, Dominique Roberto, Daniele Marinotto, Paola Deplano

HX-linear and nonlinear optical responsiveness of rationally designed heteroleptic d8-metallo-dithiolene complexes

10.26434/chemrxiv-2025-wh61k

Posted

Apr 16, 2025

Stephanos Karafiludis, Jakob Standl, Tom William Ryll, Alexander Schwab, Carsten Prinz, Sabine Kruschwitz, Franziska Emmerling, Christoph Völker, Tomasz M. Stawski

High-Entropy Phosphate Synthesis: Advancements through Automation and Sequential Learning Optimization

10.26434/chemrxiv-2025-zhkfp

Posted

Apr 16, 2025

Eliane Silva, Herbert Dias, Anderson Oliveira, Antônio Crotti

Stereoselective oxidative coupling of methyl trans-ferulate to (±)-trans-dehydrodiferulate dimethyl ester by Trametes versicolor FC: An enantioselective green approach

10.26434/chemrxiv-2024-ld2jz-v2

Posted

Apr 16, 2025

Elliot Silk, Haozhe Zhu, Alexander Shtukenberg, Tianning Diao

Imine-Oxazoline (ImOx): A C1-Symmetric N,N-Bidentate Ligand for Asymmetric Catalysis

10.26434/chemrxiv-2024-7c6g7-v3

Posted

Apr 16, 2025

Marina Micari, Kuang-Jung Hsu, Kumar Varoon Agrawal

Energy-efficient and cost-effective carbon capture from dilute emissions using pyridinic-graphene membranes

10.26434/chemrxiv-2025-6rj48

Posted

Apr 16, 2025

Tarik Cerimagic, Sergey Sosnin, Gerhard Ecker

A Multi-Task Learning Approach for Data Imputation of Compound Bioactivity Values for the SLC Transporter Superfamily

10.26434/chemrxiv-2025-7vtgv-v3

Posted

Apr 16, 2025

Basic Concepts and Tools of Artificial Intelligence in Polymer Science

khalid ferji

10.26434/chemrxiv-2025-tk6hx-v2

Posted

Apr 16, 2025

Cipriano Rangel, Joaquín Espinosa-Garcia

Theoretical kinetics study of the OH + CH3SH reaction based on an analytical full-dimensional potential energy surface

10.26434/chemrxiv-2025-wkhxn

Posted

Apr 16, 2025

Mikołaj Martyka, Xin-Yu Tong, Joanna Jankowska, Pavlo O. Dral

OMNI-P2x: A Universal Neural Network Potential for Excited-State Simulations

10.26434/chemrxiv-2025-j207x

Posted

Apr 16, 2025

Cipriano Rangel, Joaquin Espinosa-Garcia

Potential energy surfaces: Δ-machine learning from analytical functional forms

10.26434/chemrxiv-2025-wkdwg

Posted

Apr 16, 2025

Aleksei Shcherbinin, Henning Finkenzeller, Fariba Partovi, Netta Vinkvist, Jussi Kontro, Matthew Boyer, Joona Mikkilä, Siddharth Iyer, Jyri Mikkilä, Paxton Juuti, Nina Sarnela, Juha Kangasluoma, Matti Rissanen

Uronium from X-ray Desorbed Solid Urea Enables Attomole Sensitivity to Amines and Semivolatiles

10.26434/chemrxiv-2025-ftzpz

Posted

Apr 16, 2025

Stefan Kuhn, Markus Fischer, Herman Rull, Christophe Farès

A DATABASE FOR ORGANIC AND ORGANOMETALLIC COMPOUNDS

10.26434/chemrxiv-2025-mxcdn

Posted

Apr 16, 2025

Aditya Sundar, Taewoo Kim, Francisco Lagunas, Anil Mane, Udochukwu Eze, Rajesh Pathak, Sanja Tepavcevic, Jeffrey Elam, Zachary Hood, Peter Zapol, Justin Connell

Computationally-Guided Development of Sulfide Solid Electrolyte Powder Coatings for Enhanced Stability and Performance of Solid-State Batteries

10.26434/chemrxiv-2025-qwx8c

Posted

Apr 16, 2025

Elham Mazarei, Evgenii Titov, Peter Saalfrank

Surface Hopping Molecular Dynamics Simulations for Photophysics and Photoreactions Involving Pyrene and CH3Cl

10.26434/chemrxiv-2025-d0v6x

Posted

Apr 16, 2025

Matthew Liu, Carlos Fernández, Diego Uruchurtu Patino, Huaxin Gong, Md Delowar Hossain, Jesse Matthews, Kindle Williams, Alfred Vargas, Michael Zachman, Adam Hoffman, Dennis Nordlund, Michal Bajdich, Simon Bare, Michaela Burke Stevens, Thomas Jaramillo, Zhenan Bao, William Tarpeh

Titanium-, nitrogen-doped carbon flowers catalyze the electrochemical nitrate reduction reaction to ammonia

10.26434/chemrxiv-2025-4c17p

Posted

Apr 16, 2025

He Mirabel Sun, Kacie Evans, Morgan Powers, Zhenyu Xi, Carter Lantz, Arthur Laganowsky, Hays Rye, David Russell

Allostery Without Conformational Change: A Native Mass Spectrometry Perspective

10.26434/chemrxiv-2025-hhc53

Posted

Apr 16, 2025

ECONOMIC DECOUPLING PROBABILITY: A Quantum Analogy of Characterizing Bell State Errors and Noise on Real IBM Quantum Hardware

MUHAMMAD SUKRI BIN RAMLI

Posted

Apr 16, 2025

10.33774/coe-2025-dj0db

Kamal Sharkas, Gabriel Phun, Sohag Biswas, Bryan Wong

Large-Scale Ab Initio Molecular Dynamics for Assessing Stabilities of Near-Surface NV Centers

10.26434/chemrxiv-2025-bmsjj

Posted

Apr 17, 2025

Xavier Krull, Ciara Tyler, Matthew Neurock, Joseph Hupp

Extension of Solvent-Assisted Linker Exchange to Supported Metal–Organic Framework Thin Films

10.26434/chemrxiv-2025-1hft4

Posted

Apr 17, 2025

Low Shrinkage Hydrogel Infusion Additive Manufacturing of Ceramics and Metals

Yiming Ji, Daryl Yee

10.26434/chemrxiv-2025-vwjgv

Posted

Apr 17, 2025

Carles Lluna-Galán, Juan Camilo Arango-Daza, Daviel Gómez, Patricia Concepción, Rong Sun, José J. Calvino, Laura Simonelli, Rosa Adam, Jose R. Cabrero-Antonino

Building Lactams by Highly Selective Hydrodeoxygenation of Cyclic Imides Using an Alumina-Supported AgRe Bimetallic Nanocatalyst

10.26434/chemrxiv-2024-495wv-v2

Posted

Apr 17, 2025

Akshay Kamble, Gourav Samal, Bhushan Toley

Laser Melting of Parafilm-Wax: a Novel Approach for Hydrophobic Barrier Formation in Paper-based Microfluidics

10.26434/chemrxiv-2025-dg3b1

Posted

Apr 17, 2025

Amrita Basu, Stephanie Archer-Hartmann, Pradeep Chopra, Mehrnoush Taherzadeh Ghahfarrokhi, Xiaolin Dong, Neil Patel, Yiwen Zhang, Biswa Choudhury, Kosuke Funato, Dhananjay Yellajoshyula, Geert-Jan Boons, Parastoo Azadi, Ryan Weiss

Quantitative HILIC-Q-TOF-MS analysis of glycosaminoglycans and non-reducing end carbohydrate biomarkers via glycan reductive isotopic labeling

10.26434/chemrxiv-2025-60p82

Posted

Apr 17, 2025

James L. Douthwaite, Damian J. Houde, Eneida H. Pardo, Mark S. Moran, Jason Baird, Sophia R. Meyer, Babak Mahjour, Qiyuan Zhao, Jay F. Larrow, Yu-Pu Juang, Calvin K. Han, Brian Kelley, David R. Dunstan, Katelyn J. Billings, Mary M. Mader, Alexander M. Taylor, Jonathan Z. Sexton, Alessandro A. Boezio, Tim Cernak

Nanoscale direct-to-biology optimization of Cdk2 inhibitors

10.26434/chemrxiv-2025-4fr3l

Posted

Apr 17, 2025

Alessandra Mandala Kol, Teddy Herriman, Wendy Salmon, Gino DiLabio, Megan Jackson

Long-Range Dipole Alignment of Molecules Generates Strong Local Electric Fields at Air–Water Interfaces

10.26434/chemrxiv-2025-dh30c

Posted

Apr 17, 2025

Yen-Ting Lin, Min-Han Tsai, Chu-Chun Yen, Jien-Lian Chen, Chia Yen Liew, Yi-Chun Huan, Hsin-Ho Sung, Cheng-Ting Chien, Chi-Kung Ni

Structural diversity at the beginning of multicellular eukaryotic complex N-glycan biosynthesis

10.26434/chemrxiv-2025-4pt0x

Posted

Apr 17, 2025

John C. Faver, Flora Sundersingh, Lauren A. Viarengo-Baker, Ying-Chu Chen, Katelyn Billings, Patrick Riley, Ching-Hsuan Tsai, Christopher S. Kollmann

DNA-Encoded Chemical Library Screening with Target Titration Analysis: DELTA

10.26434/chemrxiv-2025-tqmnj

Posted

Apr 17, 2025

Yuto Nishiwaki, Toru Utsunomiya, Takashi Ichii

Alkali-fusion-based Removal of Vacuum-compatible Heat-resistant Epoxy Resins using KOH-NaOH Eutectic Melt

10.26434/chemrxiv-2025-gk8kd

Posted

Apr 17, 2025

Haoke Qiu, Jichun Zhao, Enzhe Jing, Weilong Hu, Yurun Lv, Xuefeng Li, Zhao-Yan Sun

Introducing PolySea: An LLM-Based Polymer Smart Evolution Agent

10.26434/chemrxiv-2025-zw65g

Posted

Apr 17, 2025

Kayo Suda, Kiyoshi Yagi, Daisuke Yokogawa

Hyper-Raman Spectra in Solution based on the Reference Interaction Site Model Self-Consistent Field Method Coupled with Constrained Spatial Electron Density Distribution and Vibrational Quasi-Degenerate Perturbation Theory

10.26434/chemrxiv-2025-0k1jw

Posted

Apr 17, 2025

Aarzoo Grover, Matthew Conger, Matthew Liptak

The roles of Asn7 and Trp67 in tuning the ferryl haem form of Staphylococcus aureus IsdG

10.26434/chemrxiv-2025-01n9d

Posted

Apr 17, 2025

Simple Heuristics for Advanced Sampling of Reactive Species on Surfaces

Edvin Fako, Sandip De

10.26434/chemrxiv-2025-79nj4

Posted

Apr 17, 2025

Takafumi Furuhata, Kazuki Yoshida, Ryoka Fujita, Jotaro Miyamoto, Chiharu Moriyama, Tokiha Masuda-Ozawa, Hikaru Tsuchiya, Yasushi Saeki, Akimitsu Okamoto

Indirect Ubiquitination: Noncovalent Ubiquitin Tethering Independent of Endogenous Ubiquitination Machinery for Targeted Protein Degradation

10.26434/chemrxiv-2025-nfhz2

Posted

Apr 17, 2025

Katerina Gavriel, Daniel Deißenbeck, Thomas J. Rutjes, Daniëlle W. T. Geers, Jan Meisner, Kevin Neumann

Programmable Site-Selectivity: pH-Modulated Triazine-Thiol Exchange for Site- and Chemoselective Cysteine Labelling

10.26434/chemrxiv-2025-0h28q

Posted

Apr 17, 2025

Kosuke Ishii, Takeshi Ueki, Jun Nakanishi, Kazuhiro Akutsu, Norifumi Yamada, Yuko Yokoyama, Tetsuo Sakka, Naoya Nishi

Potential-switchable viscoelasticity of protein nanolayers at a liquid/liquid interface

10.26434/chemrxiv-2025-2b8b2

Posted

Apr 17, 2025

Annalisa Invernizzi, Francesco Nai, Rajiv Kumar Bedi, Pablo Andrés Vargas-Rosales, Yaozong Li, Elena Bochenkova, Marcin Herok, František Zálešák, Amedeo Caflisch

Discovery of YTHDF2 ligands by fragment-based design

10.26434/chemrxiv-2025-qz0mn

Posted

Apr 17, 2025

Giu. A. Silva Testa, Mathijs A. Damhuis, Johannes A.A.W. Elemans, Evan Wenbo Zhao

Coupled Benchtop NMR and EPR Spectroscopy Reveals the Electronic Structure of Viologen Radicals in a Redox Flow Battery

10.26434/chemrxiv-2025-m5k7k-v2

Posted

Apr 17, 2025

Devi Sietaram, Pavlos Kotidis, Ruth Rowland-Jones, Gary Finka, Alexei Lapkin

Multivariate analysis of CHO cell line development data to identify cell line selection criteria

10.26434/chemrxiv-2025-dvjpd-v2

Posted

Apr 17, 2025

Jeffrey Schriber, Austin Wallace, Daniel Cheney, C. David Sherrill

Levels of symmetry adapted perturbation theory (SAPT). II. Convergence of interaction energy components

10.26434/chemrxiv-2023-ftt1v-v2

Posted

Apr 17, 2025

Aakash Kumar, Dilip Gersappe

Ice-binding of cellulose from first-principles

10.26434/chemrxiv-2025-rfdhz

Posted

Apr 17, 2025

John Pavek, Nicholas Bollis, Josiah Grimes, Michael Shortreed, Lloyd Smith, Michael Marty

A Fast Neural Network for Isotopic Charge State Assignment

10.26434/chemrxiv-2025-f2p26-v2

Posted

Apr 17, 2025

Stereogenesis in Organic Addition Reactions: Cram’s Steric Control vs Charge-Transfer Control. A Natural Bond Orbital Analysis

Andrzej Cieplak

10.26434/chemrxiv-2025-r004t-v2

Posted

Apr 17, 2025

Bruno Costa, Fernanda Anselmo-Moreira, Alex Nascimento, Giselle Pedrosa, Eduardo Catharino, Agnès Borbon, Adalgiza Fornaro, Cláudia Furlan, Silvia de Souza

Unveiling Sesquiterpene Emissions in Dominant Trees of a Brazilian Atlantic Forest Remnant

10.26434/chemrxiv-2025-8pg46

Posted

Apr 17, 2025

Marisa Asadian, Seth Croslow, Timothy Trinklein, Stanislav Rubakhin, Fan Lam, Jonathan Sweedler

High-throughput Fluorescence-guided Sequential Single-Cell MALDI-ICC Mass Spectrometry

10.26434/chemrxiv-2025-tqctc-v2

Posted

Apr 17, 2025

Clayton B. Smith, Aishat Idris, Elvis C. M. Ting, Irina Paci

Polymorphism in Cysteine Adsorption on Au Surfaces: Zwitterions versus Uncharged Molecules

10.26434/chemrxiv-2025-2gxjp-v2

Posted

Apr 17, 2025

Ethan B. Chavarin, Zoe Y. Marr, Jacob P. Brannon, Andressa Antonini Bertolazzo, Gregory A. Barding, Nicholas D. Ball, S. Chantal E. Stieber

Sulfonyl fluoride activation via S-F and C-S bond cleavage by a Ni(0) bis-bidentate N- heterocyclic carbene complex

10.26434/chemrxiv-2025-jr3xj

Posted

Apr 17, 2025

Nozomu Suzuki, Daisuke Taura, Yusuke Furuta

Amplification of Asymmetry for Dynamic Helical Polymers through 1:1 Host-Guest Interactions: Theoretical Models for Majority Rule and Sergeants and Soldiers Effects

10.26434/chemrxiv-2025-s5ndl-v2

Posted

Apr 17, 2025

Henry Agnew, Roya Savoj, Richa Rashmi, Benjamin Savala, Francesco Paesani

Molecular Insights into the Influence of Ions on Water Structure. II. Halide Ions in Solution

10.26434/chemrxiv-2025-mgvjw

Posted

Apr 17, 2025

Kaleolani S. Ogura, Sirisak Singsen, Dmitri Leo Mesoza Cordova, Jinyu Liu, Griffin M. Milligan, Diana Lopez, Tyler A. Kerr, Joseph W. Ziller, Rahul Rao, Luis A. Jauregui, Elizabeth M. Y. Lee, Maxx Q. Arguilla

Persistent Metallicity and Systematic Vacancies in Tellurium-based Quasi-One-Dimensional Chevrel-Type Single Crystals

10.26434/chemrxiv-2025-pvrjr

Posted

Apr 17, 2025

Inhak Song, David Ryan, Libor Kovarik, Mark Bowden, Janos Szanyi, Yong Wang, Konstantin Khivantsev

Maximizing catalytic activity and stability of platinum catalysts

10.26434/chemrxiv-2025-1rwb6

Posted

Apr 17, 2025

Amit Kumar Upadhyay, Karthik Sasihithlu

Electronic excitation transfer dynamics in a 3-site system using an incoherent Born-Markov rate model

10.26434/chemrxiv-2025-zgn2c-v2

Posted

Apr 17, 2025

Amit Mondal, Munia Sultana, Ankan Paul

Understanding the Mechanism of CO2 to CH4 Conversion and Hydrogen Evolution Reaction on Mg Nanoparticles in Water under ambient conditions: A DFT Perspective

10.26434/chemrxiv-2025-w09zf

Posted

Apr 17, 2025

Ahmad Tirmidzi, Matthias Arenz, Vladislav Mints

Investigating Particle Swarm Optimization as an alternative to Bayesian Optimization in High Entropy Alloy Research

10.26434/chemrxiv-2025-kjxdk-v2

Posted

Apr 17, 2025

Spin-Selective Charge Flow Drives Ultrafast Magnetic Transitions in Type-II Bipolar Magnetic Heterostructures

Yilv Guo, Thomas Heine

10.26434/chemrxiv-2025-j7lrm

Posted

Apr 17, 2025

Mahni Fatahi, Dongyang Chen, Eli Zysman-Colman

Blue Emission in Sterically Shielded Multiresonant Thermally Ac-tivated Delayed Fluorescence Emitters

10.26434/chemrxiv-2025-nv07z

Posted

Apr 17, 2025

M. Friederike Schulte, Simon Schog, Steffen Bochenek, Timon Kratzenberg, Michael Schröder, Walter Richtering

Teaching Softness of Polymer Microgels Employing Atomic Force Microscopy

10.26434/chemrxiv-2024-t0fgj-v2

Posted

Apr 17, 2025

Yuto Yoshida, Waka Okada, Kazutake Takada, Shuichi Nakamura, Naoki Yasukawa

Photocatalytic decyanative radical addition based on cyano group transfer mediated by amine-ligated boryl radicals

10.26434/chemrxiv-2025-fwt06

Posted

Apr 17, 2025

Akihisa Ishikawa, Wataru Ota, Tohru Sato

Electronic Structure of Palladium Oxide Calculated Using the DFT+U + V Method

10.26434/chemrxiv-2025-zrtkp

Posted

Apr 17, 2025

Zi-An Shen, Mengyang Zhang, Yixin Lu

A general synthesis of complex bicyclo[1.1.1]pentanes via a multi-component cascade atom transfer radical addition

10.26434/chemrxiv-2025-q0d12

Posted

Apr 17, 2025

Sarah Spreckelmeyer, Sophie Thomas, Franziska Schuderer, Catarina Pinto, Ana Luiza de Andrade Querino, Mihyun Park, Christopher Geppert, Christian Gorges, Filipa Mendes, Angela Casini

N-Heterocyclic Carbenes as Ligands to 198Au(I) Radiolabeled Compounds: a New Platform for Radiopharmaceutical Design

10.26434/chemrxiv-2025-9f0mj

Posted

Apr 17, 2025

Takumi Haruno, Yoshinori Doi, Tomoki Ito, Kazuho Daicho, Ryosuke Kusumi, Hiroyuki Watanabe, Shuji Fujisawa, Tsuguyuki Saito

Glucose/Glucuronate Alternating Copolymers Stripped from Oxidized Cell Wall Cellulose by Mechanical Shearing

10.26434/chemrxiv-2025-002vw

Posted

Apr 17, 2025

DetectNano: Deep Learning Detection in TEM Images for High-Throughput Polymer Nanostructure Characterization

khalid ferji

10.26434/chemrxiv-2025-qxp7x

Posted

Apr 17, 2025

Shun Ishioka, Yuki Hiromatsu, Jiaxin Peng, Taizo Kabe, Takaaki Kasuga, Kazuho Daicho, Yohsuke Goi, Noriyuki Isobe, Tetsuo Yamaguchi, Shuji Fujisawa, Hirotaka Koga, Tadahisa Iwata, Junichiro Shiomi, Masaya Nogi, Tsuguyuki Saito

Thermoforming Particle Aggregates via Interfacial Ionic Self-Diffusion

10.26434/chemrxiv-2025-ljf83

Posted

Apr 17, 2025

Language and Linguistics

Transitional Cambodian English (TCE): An Emerging Standard Variation?

Joshua Wilwohl

Posted

Apr 17, 2025

10.33774/coe-2025-xwkjs

Ryuki Kurosaki, Tokuhisa Kawawaki, Kaoru Ikeda, Kazutaka Oiwa, Kotaro Sato, Haruna Tachibana, Kenji Iida, Yuichi Negishi

Drastic enhancement of oxygen reduction reaction activity by melamine modification for Pt nanocluster-loaded electrocatalysts

10.26434/chemrxiv-2025-c9573

Posted

Apr 18, 2025

Smahane Dahbi, Angelika D. Rosa, Alain Manceau, Stephan N. Steinmann

Prediction and Rationalization of Site Preference of Rare Earth Elements in Fluorapatite from Density Functional Theory

10.26434/chemrxiv-2025-wnfmp-v2

Posted

Apr 18, 2025

Olivier JM BÉQUIGNON, Steven Wink, Steven W. Hiemstra, J. E. Fokkelman-Klip, Wouter den Hollander, Giulia Callegaro, Bob van de Water, Gerard J. P. van Westen

Keep looking at the negative side: improved detection of drug-induced liver injury with non-hepatotoxicant data oversampling

10.26434/chemrxiv-2025-xdc1q-v2

Posted

Apr 18, 2025

Junyi Zhao, Ziyang Zheng, Yunchuan Huang, Mindong He, Jon Chapman, Mauro Pasta

Impact of Concentration-Dependent Transport Properties on Concentration Gradients

10.26434/chemrxiv-2025-6q8nm

Posted

Apr 18, 2025

Marvellous Eyube, Anita Ohwoevwo, Frances Okechukwu, Susan Babayanju, Eden Osadolor, Favour Boco, Marvellous Alimikhena, Etinosa Agbonghae

Sustainable Optimization of Extraction Techniques for Bioactive Compounds in Drug Discovery: Principles, Innovations, and Case Studies

10.26434/chemrxiv-2025-j62x5

Posted

Apr 18, 2025

Abdulrahman Alfaraidi, Jianhan Zhou, Anton Ni, Nicholas Su, Dawei Xi, Joonho Lee, Eugene Kwan, Michael Aziz, Richard Liu

Biphasic Electrosynthesis for Efficient Organic Reductions via Hydrogen-Atom Transfer

10.26434/chemrxiv-2025-44rd7

Posted

Apr 18, 2025

Aishat Idris, Clayton Smith, Chao-Ming (Elvis) Ting, Irina Paci

Coordination Number Dependence of Cysteine Binding to Nanostructured Gold

10.26434/chemrxiv-2025-j3nsp-v2

Posted

Apr 18, 2025

Jakub Poziemski, Pawel Siedlecki

Application of vision transformers to protein-ligand affinity prediction.

10.26434/chemrxiv-2025-qcxq1

Posted

Apr 18, 2025

Gustavo J. Costa, Ruibin Liang

Decrypting the Non-Adiabatic Photoinduced Electron Transfer Mechanism in Light-Sensing Cryptochrome

10.26434/chemrxiv-2025-g0lg7-v2

Posted

Apr 18, 2025

Frances Dawson, Gavin Irvine, Maciej Kopeć

Lipoic acid/ethyl lipoate as cleavable comonomers for synthesis of degradable polymer networks

10.26434/chemrxiv-2024-3f6vk-v4

Posted

Apr 18, 2025

Andreas Fleißner, Viktoria Rehbein, Alexandra Haidinger, Christina I. Dilly, Antoine Dupé, Roland C. Fischer, Elise S. Hecht, Johann A. Hlina

Synthesis and Characterisation of Phosphanophenolate-based Rare-Earth Metal-Copper Complexes

10.26434/chemrxiv-2025-p0s00-v2

Posted

Apr 18, 2025

Qing Wang, Mingjun Gu, Carine Michel, Nir Goldman, Thomas Niehaus, Stephan N. Steinmann

Development of a Transferable Density Functional Tight Binding Model for Organic Molecules at the Water/Platinum Interface

10.26434/chemrxiv-2025-8bj28-v2

Posted

Apr 18, 2025

Florian E.C. Blanc, Maggy Hologne, Mélodie Demontrond, Henry Chermette, Olivier Walker

Mechanism of Ag+-induced Folding of a Bacterial Peptide from Replica-Exchange Molecular Simulations

10.26434/chemrxiv-2025-pfwmz-v2

Posted

Apr 18, 2025

Jyotirmoy Ray, Tamar Seideman

Strong field quantum control of bimolecular reactions

10.26434/chemrxiv-2025-stbjv-v2

Posted

Apr 18, 2025

Chung Wen Liang, David Pekker, Alessio Valentini, Swagatam Mukhopadhyay

A Generalized Framework for Developing Dihedral Torsion Energy Terms in Nucleic Acids Force Fields

10.26434/chemrxiv-2025-dpsg7-v2

Posted

Apr 18, 2025

Nana Agyemang, Jordan Nafie, Mark Biscoe, Ryan Murelli

Synthetic, Computational, and Experimental Studies of a Class 3 Atropisomeric Alpha-Naphthyl Tropone

10.26434/chemrxiv-2025-4f1gc

Posted

Apr 18, 2025

Huanan Wang, Yang Yang, Peng Liu, Binh Khanh Mai, Chongtao Li, Xiao-Wang Chen

Stereoselective photometallobiocatalytic radical C–C coupling of organoboron reagents and diazo compounds via an outer-sphere mechanism

10.26434/chemrxiv-2025-tkj0d

Posted

Apr 18, 2025

José J. Plata, Antonio Morales-Altarejos, Elena R. Remesal, Víctor Posligua, Antonio Márquez

High-Entropy Skutterudites as Thermoelectrics: Synthesizability and Band Convergence via the Cocktail Effect

10.26434/chemrxiv-2025-r8rb3

Posted

Apr 18, 2025

Goutam Ghosh, Marvin Nyenhuis, Timo Krüger, Zulema Fernandez, Joao Paulo Coelho, Antonia Albers, Nikos Doltsinis, Gustavo Fernandez

Solvent demixing-controlled supramolecular polymerization

10.26434/chemrxiv-2025-dv15x

Posted

Apr 18, 2025

Dewen Hou, Yiming Chen, Gi-Hyeok Lee, Jiacheng Hu, Eric Gabriel, Kincaid Graff, Tianyi Li, Wanli Yang, Haili Jia, Yifan Dong, Yang Ren, Wenqian Xu, Jiantao Li, Chengjun Sun, Chongmin Wang, Wenquan Lu, Xinwei Zhou, Zonghai Chen, Darin Schwartz, Maria Chan, Yuzi Liu, Hui Xiong

Suppressing high-voltage phase transition in layered oxide positive electrodes toward stable cycling for sodium ion batteries

10.26434/chemrxiv-2025-qvc2c

Posted

Apr 18, 2025

Sa Suo, Chamikara Karunasena, Bo Dong, Lu Lin, Zhiting Chen, Eui Hyun Suh, Erin Ratcliff, Neal Armstrong, Veaceslav Coropceanu, Tianquan Lian

Vibrational Probe of Electrical Doping in N2200 and Fermi Level Alignment at Polymer Cathode/Metal Cocatalyst/Electrolyte Junction

10.26434/chemrxiv-2025-2k60j

Posted

Apr 18, 2025

Statistics and Probability

Victoria: Beating the House Using the Principles of Statistics and Randomness

Daniel Henrique Pereira

Posted

Apr 18, 2025

10.33774/coe-2025-2crkm

Markus Haener, Guizhen Liu, Esther Lange, Nikolaus Jork, Klaus Ditrich, Ralf Greiner, Gabriel Schaaf, Henning Jessen

Stereoselective chemoenzymatic phytate transformations provide access to diverse inositol phosphate derivatives

10.26434/chemrxiv-2025-6c06r

Posted

Apr 18, 2025

Cajsa Malm, Mykhailo Girych, O. H. Samuli Ollila

Conformational Rigidity Classification in Intrinsically Disordered Proteins via Integrated NMR and MD Simulations

10.26434/chemrxiv-2025-m5m0p

Posted

Apr 18, 2025

Jacob M. Nielsen, Maria H. Rasmussen, Casper Steinmann, Nicolai Ree, Michael Gajhede, Jan Stenvang, Jan H. Jensen

Finding Drug Candidate Hits With a Hundred Samples: Ultra-low Data Screening With Active Learning

10.26434/chemrxiv-2025-jlml5

Posted

Apr 18, 2025

TWO METHODS OF CALCULATING GRAVITATIONAL FORCE WHICH LEAD TO A NEW LAW OF GRAVITATION

Mykola Kosinov

Earth and Environmental Sciences

Posted

Apr 18, 2025

10.33774/coe-2025-3pqcr

E-Ping Rau, Jody Holland, Thomas Swinfield, Abby Williams, Srinivasan Keshav, David Anthony Coomes

A placebo approach to evaluate methods of counterfactual estimation for REDD+

Posted

Apr 18, 2025

10.33774/coe-2025-hw615

Efficient Test of General Intelligence Requires Cognitive Proximity of Agents

Serge Dolgikh

Posted

Apr 18, 2025

10.33774/coe-2025-vcq7g

The Entropic Force-Field Hypothesis: A Unified Framework for Quantum Gravity

10.33774/coe-2025-fhhmf-v2

Posted

Apr 18, 2025

Exploring the Entropic Force-Field Hypothesis (EFFH): New Insights and Investigations

10.33774/coe-2025-3zc2w-v2

Posted

Apr 18, 2025

JOGENDRA KUMAR, HAMANT KUMAR

ON THE EIGENSTRUCTURES OF BICOMPLEX K-POTENT MATRICES

Posted

Apr 18, 2025

10.33774/coe-2025-dgj43

Thiago Altair, Douglas Galante, Hamilton Varela, Yannick De Decker, Reuben Hudson

Transport Dynamics Across Prebiotic Hydrothermal Mineral Barriers: Comparison with Contemporary Proton Motive Pathways

10.26434/chemrxiv-2025-jrc2j

Posted

Apr 18, 2025

Yoshiaki Nishijima, Kawaida Tsuyoshi, Kazuki Wada, Kazuma Sekiya, Megumi Tanaka, Thoko Ogata, Yasutaka Matsuo, Saulius Juodkazis

Focused thermal emission from radiative metasurface

10.26434/chemrxiv-2025-swmcj

Posted

Apr 18, 2025

Nagarajan Ramkumar, Anete Patricija Raiskuma, Larisa Baumane, Artis Kinens, Kaspars Traskovskis, Maksim Ošeka, Janis Veliks

Acridinium Photo-Catalyzed Monofluoromethyl Radical Cascade Reaction of Alkenes with Iodine(III) Reagent: A Mechanistic Study

10.26434/chemrxiv-2025-3599k

Posted

Apr 18, 2025

Adriana Adamczyk, William Tipping, Olga Mazuryk, Duncan Graham, Malgorzata Baranska, Katarzyna Majzner

Sensitive detection and identification method of erythrocyte-like cells upon doxorubicin induced differentiation with vibrational techniques

10.26434/chemrxiv-2025-0q4kw

Posted

Apr 18, 2025

Claire Lynn Seitzinger, Tillmann L. Wigger, Adrian Henrik Hergesell, Jan Meisner, Ina Vollmer

Kinetic insights into mechanochemical polypropylene depolymerization during ball milling

10.26434/chemrxiv-2025-2ht8r

Posted

Apr 18, 2025

Aurelien Doutry, Cédric Gastaldi, Maela Claeys, Jean-Louis Petit, Véronique De Berardinis, Christine Guérard-Hélaine, Damien Debecker

L-erythrulose synthesis from glycerol by a multi enzymatic cascade reaction

10.26434/chemrxiv-2025-c8412

Posted

Apr 18, 2025

Scaling Laws and Design Principles for Electroosmotic Flow of Power-Law Fluids in Tree-like Networks with Rectangular Cross-Section

Ashish Garg

10.26434/chemrxiv-2025-1bfdf

Posted

Apr 18, 2025

Jose Andres Cordero Solano, Jasmin Hafner, Michael S. McLachlan, Heinz Singer, Kathrin Fenner

Current Opportunities and Limitations in Predicting Micropollutant Removal in Wastewater Treatment based on Molecular Structure

10.26434/chemrxiv-2025-3n9gg

Posted

Apr 18, 2025

Raphaël Vangheluwe, Carine Clavaguera, Minh-Tue Truong, Dominik Domin, Cong Huy Pham, Mihai-Cosmin Marinica, Nguyen-Thi Van-Oanh

Accelerating the Structure Exploration of Diverse Bi–Pt Nanoclusters via Physics-Informed Machine Learning Potential and Particle Swarm Optimization

10.26434/chemrxiv-2025-9h7dn

Posted

Apr 18, 2025

Anupom Roy, Connard Giresse Tetssassi Feugmo

Optimizing Bio-Imaging with Computationally Designed Polymer Nanoparticles

10.26434/chemrxiv-2025-8f24j

Posted

Apr 18, 2025

Shyamalava Mazumdar, Atish Bhattacharyya

Hemin immobilization in hydrophobic SBA15 as a Recyclable Catalyst for trans-selective Cyclopropanation in Aqueous Media

10.26434/chemrxiv-2025-jd7gl

Posted

Apr 18, 2025

Zachary Grimm, Charlotte Randolph, Olexander Buravov, Pavel Mykhailiuk, Laszlo Kurti

Harnessing O-Vinylhydroxylamines for Ring-Annulation: A Scalable Approach to Azaindolines and Azaindoles

10.26434/chemrxiv-2025-4p67k

Posted

Apr 18, 2025

Education

A critical incident approach to teacher continuous professional development

Cherry Au

Posted

Apr 18, 2025

10.33774/coe-2025-jqvx7

Mitch Rivers, Ross Widenhoefer

Kinetics and Mechanism of the Protodeauration of Gold(I) β-Styrenyl Complexes.

10.26434/chemrxiv-2025-s9tvv

Posted

Apr 18, 2025

Matteo Formenti, Rosaria Ciriminna, Giorgia Lupi, Carlo Fanciulli, Cristina Della Pina, Riccardo Casati, Mario Pagliaro

CuproGraf: readily accessible copper of enhanced electrical conductivity

10.26434/chemrxiv-2025-4vs61

Posted

Apr 18, 2025

Alfie-Louise R. Brownless, Travis Harrison-Rawn, Shina Caroline Lynn Kamerlin

WatCon: A Python Tool for Analysis of Conserved Water Networks Across Protein Families

10.26434/chemrxiv-2025-8526g-v2

Posted

Apr 18, 2025

Version undefined posted 19 April 2025

7-digit Product-level Supply-Use and Input-Output Tables Using ASI Data

Sourish Dutta

Posted

Apr 19, 2025

10.33774/coe-2025-mfpxg

Zhihong Deng, Shengfa Ye, Xuelian Jiang, Xinchao Zhang, Dafa Chen, Zhe Huang, Lizhi Tao, Jiaojiao Liu, Yong Ni, Jun Li, Haiping Xia

Radical Additions of Carbyne to Achieve Metalla-aromatic Radicals

10.26434/chemrxiv-2025-gw265

Posted

Apr 21, 2025

Education

The Exploration of Contemporary Theories in Applying AI: Impact for Cross-Sectoral Education and Industry (A Meta Analysis)

thobias sarbunan

Posted

Apr 21, 2025

10.33774/coe-2025-s6lwl

Skye Brettell, Gillian Cann, Abbey Begen, Saumya Sharma, Amit Mahindra, Lauren Carruthers, Graeme Milligan, David Clarke, Andrew Tobin, Andrew Jamieson

Lysine targeting covalent inhibitors of malarial kinase PfCLK3

10.26434/chemrxiv-2025-qshtg

Posted

Apr 21, 2025

Marta Costa Verdugo, Giulia Sierri, Laura Hernandez-Fernandez, Elena Formoso, José I. Miranda, Francesco Saverio Sica, Alba González, Elixabete Rezabal, Francesca Re, Luca Salassa

Choline-Geranate (CAGE) Ionic Liquids Potentiate The Anticancer Activity Of Platinum-Based Drugs

10.26434/chemrxiv-2025-xl55b

Posted

Apr 21, 2025

Jennifer Johns, Mukul Mahanti, M. Carmen Galan

Exploiting σ-hole activation to achieve stereoselective synthesis of deoxy glycosides from glycals

10.26434/chemrxiv-2025-x4tq3

Posted

Apr 21, 2025

Martin Tiano, Sara Asad, Ning Zhang, Selene Charlemont, Elsa Manseur, Stéphane Daniele

Ionic liquid-modified resorcinol formaldehyde resins: synthesis and applications to methylene blue removal

10.26434/chemrxiv-2025-2gc7v-v2

Posted

Apr 21, 2025

Protein-Based QM-CGMM

Yi Sun

10.26434/chemrxiv-2025-xp7w1-v2

Posted

Apr 21, 2025

Simen Camps, Cansu Utku, Joel Creutzberg, Thomas-C. Jagau

Complex-variable equation-of-motion coupled-cluster singles and doubles theory with the resolution-of-the-identity approximation

10.26434/chemrxiv-2025-xm4jc-v2

Posted

Apr 21, 2025

Guojiang Zhao, Qi Ou, Zifeng Zhao, Shangqian Chen, Haitao Lin, Xiaohong Ji, Zhen Wang, Hongshuai Wang, Hengxing Cai, Lirong Wu, Shuqi Lu, FengTianCi Yang, Yaping Wen, Yingfeng Zhang, Haibo Ma, Zhifeng Gao, Zheng Cheng, Weinan E

Virtual Characterization via Knowledge-Enhanced Representation Learning: from Organic Conjugated Molecules to Devices

10.26434/chemrxiv-2025-b6n4m-v3

Posted

Apr 21, 2025

Yunsie Chung, William H. Green

New modified Arrhenius equation to describe the temperature dependence of liquid phase reaction rates

10.26434/chemrxiv-2024-k0ml1-v2

Posted

Apr 21, 2025

Bosen Jin, Weiyang Zhao, Yiwen Zhu, Zekun Liu, Yaochun Yu, Shun Che, Jinyong Liu, Yujie Men

Anaerobic microbial defluorination of polyfluoroalkylether substances (ether PFAS): Transformation pathways and roles of different microorganisms

10.26434/chemrxiv-2025-wfkg9-v2

Posted

Apr 21, 2025

Nianyue Zhang, Shuilong Kang, Meng Zhang, Sifan You, Xiang Hu, GuangYuan Feng, Mali Kunal S, De Feyter Steven, Ivasenko Oleksandr, Lifeng Chi, Yuan Fang

Towards Unified Mechanism of Bias-dependent Switching in Reactive Self-assembly Systems

10.26434/chemrxiv-2025-zqsfl

Posted

Apr 21, 2025

Jesse Cohan, Daniela Chavez, Abigail Berube, Luke Davis

Low-Temperature Chemical Vapor Deposition of Zirconium(IV) Sulfide Thin Films

10.26434/chemrxiv-2025-q2bbk

Posted

Apr 21, 2025

Kaitlyn Dold, Dmitri Leo Mesoza Cordova, Thanh N. Huynh, Griffin M. Milligan, Simon J. Teat, Maxx Arguilla

Triel-defined helicity in one-dimensional III-VI-VII van der Waals crystals

10.26434/chemrxiv-2025-lfjvm

Posted

Apr 21, 2025

Galen Wei, Xinchun Ran, Runeem Al-Abssi, Zhongyue Yang

Finding the Dark Matter: Large Language Model-based Enzyme Kinetic Data Extractor and Its Validation

10.26434/chemrxiv-2025-pb73x

Posted

Apr 21, 2025

Masanori Uji, Sakura Nakagawa, Atsuko Nihonyanagi, Daigo Miyajima, Naoya Aizawa, Nobuhiro Yanai

Triplet-Triplet Annihilation Photon Upconversion Using TIPS-Benzene and Heptazine Derivatives for UVC Energy Generation

10.26434/chemrxiv-2025-tqfm3

Posted

Apr 21, 2025

Karnamohit Ranka, Sijia Ke, Chenqi Fan, Jeffrey Neaton, Peter Agbo, Frances Houle

Approach to Evaluating Reorganization Energies of Interfacial Electrochemical Reactions

10.26434/chemrxiv-2025-xz65z

Posted

Apr 21, 2025

Sayan Shee, Darshini Ramachandran, Romin Gogoi, A T Biju

Dynamic Kinetic Resolution Approach to C-O Axially Chiral Benzonitriles via NHC-Catalyzed Atroposelective Imine Umpolung

10.26434/chemrxiv-2025-bv28b

Posted

Apr 21, 2025

Yongju Kwon, Zhouxiaosong Zeng, Fabian Strauß, Patrick Michel, Eric Juriatti, Heiko Peisert, Marcus Scheele

Time-Resolved Intrinsic and Extrinsic Photoresponse of Colloidal SWIR-Active Indium Antimonide Quantum Dot Photodetectors

10.26434/chemrxiv-2025-w75wn

Posted

Apr 21, 2025

David Ferguson, RSci MRSB MRSC

AI‑Driven Integrative Design of ADAMTS Partial Agonists within a Multi‑Hallmark Therapeutic Framework for Neurodegenerative Disorders

10.26434/chemrxiv-2025-4n2nb-v4

Posted

Apr 21, 2025

David Sousa, Elvira Sayfutyarova

Non-eigenstate Ab Initio Density Matrix Downfolding to produce Model Hamiltonians in Quantum Chemistry

10.26434/chemrxiv-2025-wqtcn

Posted

Apr 22, 2025

Rishabh K. Singh, Yiwei Shao, Het Patel, Mason Hooten, Meenakshi Dutt

COARSE-GRAINED MOLECULAR DYNAMICS SIMULATIONS OF SOFT MATTER RELEVANT TO THE PHARMACEUTICAL INDUSTRY

10.26434/chemrxiv-2025-j2nbj

Posted

Apr 22, 2025

Eric Juriatti, Christoph Späth, Heiko Peisert, Marcus Scheele

Effects of Annealing on Electrode/MoS2 Interfaces Studied by Photoelectron Spectroscopy

10.26434/chemrxiv-2025-xm70n

Posted

Apr 22, 2025

Jonathan Fagan, Nabiha Syed, Wangshu Wen, Hanna Morales Hernández, Christopher Johnson

Sequential Ag doping of Au25- atomically precise nanoclusters induces alternating positive and negative shifts of HOMO-LUMO gap

10.26434/chemrxiv-2025-spn4c

Posted

Apr 22, 2025

Steven William Rutherford

Evaluation of Hydrophobicity and Angstrofluidic Properties of Water in Microporous Metal-Organic Framework Materials by Unified Isotherm Analysis

10.26434/chemrxiv-2024-h1x6w-v5

Posted

Apr 22, 2025

Shreerang Joshi, Khetal Surana, Shashwat Singh, Aditya Lade, Nitin Arote

Chemistry of Scorpion Venom and its Medicinal Potential

10.26434/chemrxiv-2024-32wws-v2

Posted

Apr 22, 2025

Maxime Cheveau, Mathieu Moreau, Anna Grohmann, Sarah Robert, Alexandre Cochet, Bertrand Collin, Frédéric Boschetti, Sophie Poty, Franck Denat

Versatile bifunctional PYTA derivatives for actinium-225 radiolabeling: a comparison to gold standards

10.26434/chemrxiv-2025-q2t1b-v2

Posted

Apr 22, 2025

Effects of CCSD effective Hamiltonian on Electronic Spectra of noble-gas atoms

Naoki Kitamura

10.26434/chemrxiv-2024-dqr1c-v5

Posted

Apr 22, 2025

Juriti Rajbangshi, Canan Sener, Reid Van Lehn

Effect of Solvents on Lignin-Surface Interactions via Molecular Dynamics Simulations

10.26434/chemrxiv-2025-k1vt6

Posted

Apr 22, 2025

Silvia Cristofaro, Dorothée Brandt, Vincent Lemaur, Ki-Hwan Hwang, Ljiljana Fruk, Deepak Venkateshvaran, Luca Muccioli, Silvia Orlandi, Yoann Olivier

Predicting the mechanical response of semiconducting polymers: the influence of morphology at the nanoscale

10.26434/chemrxiv-2025-6831m

Posted

Apr 22, 2025

Ansuman Halder, Maher B. Alghalayini, Shuan Cheng, Nikil Thalanki, Thong M. Nguyen, Abigail R. Hering, Do-Kyoung Lee, Simon Arnold, Marina S. Leite, Edward Barnard, Aleksandr Razumtcev, Morgan Wall, Arian Gashi, Marcus C. Noack, Shijing Sun, Carolin M. Sutter-Fella

AI-driven robot enables synthesis-property relation prediction for metal halide perovskites in humid atmosphere

10.26434/chemrxiv-2025-gsg5w

Posted

Apr 22, 2025

Yu Zhang, Ning He, Yun Jiang, Aimin Shi, Jimmy A. Faria A., bo jiao, Qiang Wang

Anisotropy in Pickering Emulsions Enables Catalysis at the Interface

10.26434/chemrxiv-2025-vt8rq

Posted

Apr 22, 2025

Learning Hierarchical Coarse-Grained Models for Complex Chemical Systems

Vivianne Greenwood

10.26434/chemrxiv-2025-ks32h

Posted

Apr 22, 2025

Yu Jiang, Qiang Ma, Jianxu Chen, Xue Yang, Liuying Jiang, Jinshuai Song, Saihu Liao

Organocatalytic Atom Transfer Radical Polymerization with Light and pH Dual-Gated Regulation

10.26434/chemrxiv-2025-wp063

Posted

Apr 22, 2025

Fabian Liessmann, Paul Eisenhuth, Alexander Fürll, Oanh Vu, Rocco Moretti, Jens Meiler

CACHE: Utilizing Ultra-Large Library Screening in Rosetta to Identify Novel Binders of the WD-Repeat Domain of Leucine-Rich Repeat Kinase 2

10.26434/chemrxiv-2025-7v2ts

Posted

Apr 22, 2025

Enrico Manfredi-Haylock, David Payne

The Early-Modern History Of The Lead Acid Battery: 1840 To 1940

10.26434/chemrxiv-2025-93f7r

Posted

Apr 22, 2025

Mengdie Xiao, Wei Li, Donghao Jiang, Li-Jie Cheng

Cobalt-Catalyzed Markovnikov Hydroarylcarbonylation of Unactivated Alkenes via Distal Aryl Migration

10.26434/chemrxiv-2025-0fccg

Posted

Apr 22, 2025

A Testing Bed for Computational Modelling of Host-guest Binding

Zhaoxi Sun

10.26434/chemrxiv-2025-5w068

Posted

Apr 22, 2025

Lucas Horstmann, Erkin Gözdereliler, Ulla Elisabeth Bollmann, Jonathan Donhauser, Jonas Michael Fernbach, Anders Priemé, Carsten Suhr Jacobsen, Christian Nyrop Albers, Lea Ellegaard-Jensen

Potential risks of the nitrification inhibitors Nitrapyrin and DMPP: A review on non-target effects on microorganisms and environmental fate in agricultural soil

10.26434/chemrxiv-2025-0tr1r

Posted

Apr 22, 2025

Sebastian Weber, Edvin Fako, Tiago J. Goncalves, Sandip De, Chiara Boscagli, Matthias Müller, Shuang Han, Ivana Jevtovikj, Robert Baumgarten, Michael Geske, Raoul Naumann d'Alnoncourt, Sheena Agarwal, Mohammad Khatamirad, Ansgar Schäfer, Frank Rosowski, Elias Frei, Stephan A. Schunk

Copper Gallium Aluminum Mixed Metal Oxides as new Alternative Catalyst Candidates for Efficient Conversion of Carbon Dioxide to Methanol and Dimethyl Ether

10.26434/chemrxiv-2025-cwvd2

Posted

Apr 22, 2025

Maria Ifliand, Lothar Houben, Margarita Shepelenko, Yishay Feldman, Anna Eden Kossoy, Ofir Friedman, Mariana Hildebrand, Lia Addadi, Leslie Leiserowitz, Leeor Kronik

Discovering the crystal structure of biogenic xanthine crystals

10.26434/chemrxiv-2025-6lnth

Posted

Apr 22, 2025

Yang Xu, Neeraj Kumar Pandit, Silvia Meraviglia, Philipp Boos, Paula Stark, Max Surke, Regine Herbst-Irmer, Dietmar Stalke, Lutz Ackermann

Stereocontrolled Construction of Multi-Chiral [2.2]Paracyclophanes via Cobaltaphotoredox Dual Catalysis

10.26434/chemrxiv-2025-42k82

Posted

Apr 22, 2025

Zeinab Sodaei, Saeid Ekrami, Seyed Majid Hashemianzadeh

Investigation of Effective Molecular Dynamics-derived Properties on Drug Solubility via Machine Learning

10.26434/chemrxiv-2025-dvrzs

Posted

Apr 22, 2025

Timothy Lichtenstein, Jarrod Gesualdi, Eva Schneiderlochner, Krista Hawthorne

Guidelines for making, interpreting, and quantifying activity by electromotive force measurements of molten salts containing mixed cations and anions using cation-based electrodes

10.26434/chemrxiv-2025-0hsqk

Posted

Apr 22, 2025

Richa Rashmi, Benjamin Savala, Henry Agnew, Roya Savoj, Francesco Paesani

Resolving the Spectral Signatures of Strong Hydrogen Bonding in Fluoride Hydration

10.26434/chemrxiv-2025-kqdhz

Posted

Apr 22, 2025

A Refined Symmetric Mean Integral Approach to Bounding the Perimeter of an Ellipse

harun abdul rohman

Posted

Apr 22, 2025

10.33774/coe-2025-5bb4j

Amira Elhamady, Kane Alexander, Fernando Plazas-Niño, Mark Howells

Navigating Green Hydrogen Planning in Egypt: A Dataset for Climate, Land, Energy, and Water Systems Modelling

Posted

Apr 22, 2025

10.33774/coe-2025-4st39

Pritam Kumar Patel, Ankit Kumar

Co-pyrolysis of waste newspaper and high-density polyethylene for pyro-oil production and parameter optimization

10.26434/chemrxiv-2025-5t4d0

Posted

Apr 22, 2025

Tanish Tyagi, Anmol Jindal, Tarak Karmakar

Elucidating the Mechanism of Substrate Encapsulation in Supramolecular Resorcin[4]arene using Enhanced Sampling Simulations

10.26434/chemrxiv-2025-x512g

Posted

Apr 22, 2025

Sana Kausar Ashfaque Ahmad, Chetan Yewale, Rajendra Wagh, Vikas Deshmane, Sajid Naeem, Umesh Tupe, Arun Patil

Zinc ferrite (ZnFe₂O₄) for pollutant gas detection

10.26434/chemrxiv-2025-s284c

Posted

Apr 22, 2025

Exequiel O. J. Porta, Karunakaran Kalesh, Patrick G. Steel

Activity-Based Chemoproteomic Profiling Reveals the Active Kinome of Leishmania

10.26434/chemrxiv-2025-zg4jj

Posted

Apr 22, 2025

Zenghui Ye, Jici Liu, Xiangyu Liu, Yanqi Wu, Fengzhi Zhang

Enantioselective Synthesis of Axially Chiral Biaryl Sulfenamides via Cu-Catalyzed Sulfur-Arylation and Dealkylation

10.26434/chemrxiv-2025-rfdn0

Posted

Apr 22, 2025

Sandeep Dhanjal, Katelyn Kitzinger, Dennis Jarema, Jeffrey Johnson

Proof of Concept: Is Small-Scale Production of Diethyl Ether for Anesthetic Use Possible?

10.26434/chemrxiv-2025-tjfkd

Posted

Apr 22, 2025

Nina Reßing, Daniel Stopper, Thomas Martin Schäfer, Lais Pessanha de Carvalho, Elizabeth Winzeler, Jana Held, Finn Kristian Hansen

Exploration of fluorinated peptoid-based histone deacetylase inhibitors as dual-stage antiplasmodial agents

10.26434/chemrxiv-2025-lqqvd

Posted

Apr 22, 2025

Katelyn Kitizinger, Jeffrey Johnson

Asymmetric, Organocatalytic 1,4-Addition of Pyridinyl Acetates with Crystallization-Enabled Diastereoconvergency

10.26434/chemrxiv-2025-ph5v3

Posted

Apr 22, 2025

Michael Backenköhler, Joschka Groß, Andrea Volkamer

Assay-Based Machine Learning: Rethinking Evaluation in Drug Discovery

10.26434/chemrxiv-2025-zsk6d

Posted

Apr 22, 2025

Gaurav Kumar Mishra, Daniel Pearce, Wendu Ding

Nanocorrugation-Induced Selectivity and Tunability of Plasmon Resonances: Application to Resonance Energy Transfer

10.26434/chemrxiv-2025-53ntc

Posted

Apr 22, 2025

chen Cui, Qi Li, Zhen Wang, Xiao-Hui Yang, Yu Lu

Catalyst-Controlled Divergent Cyclopropene Hydroselenation

10.26434/chemrxiv-2025-s9fc9

Posted

Apr 22, 2025

Tianxiang Tong, Masato Kibune, Masatoshi Tosaka, Yumi Matsumiya, Hiroshi Watanabe, Shigeru Yamago

Melt Rheology of Dendritic Hyperbranched Polyacrylates Synthesized by Controlled Radical Polymerization: Evidence of Self-Similar Branch Structure Formation

10.26434/chemrxiv-2025-2lm7z

Posted

Apr 22, 2025

Zhiqiao Gao, Menglei Mao, Hengzhen Feng, Wenzhong Lou, Yixin Wang, Teng Ma

Modelling and Systematic Investigation of Gas Sensing Utilizing Metal Oxide Semiconductors: Insights into Sensor Design Principles

10.26434/chemrxiv-2025-k45q1

Posted

Apr 23, 2025

Terim Seo, Donghun Kim, Shinwon Ham, You Kyoung Chung, Inho Jeong, Joonsuk Huh, Hyunwoo Kim, Do Hyun Ryu

Generality-driven optimization of enantio- and regioselective catalysis by high-throughput experimentation and machine learning

10.26434/chemrxiv-2025-n3gff

Posted

Apr 23, 2025

Yong Zhou, Jin-Xin Zhao, Jian-Min Yue

Scalable Solid-Phase Synthesis of Orberryamides A–D via a Late-Stage Transformation Strategy

10.26434/chemrxiv-2025-68x33

Posted

Apr 23, 2025

Evgeny Pospelov, Ivan Golovanov, Alexey Sukhorukov, Jianzhong Chen, Wanbin Zhang, Ilya Gridnev

Mechanism of Formation of Active Catalytic Species in Nickel-Catalysed Asymmetric Hydrogenation

10.26434/chemrxiv-2025-ltwzr

Posted

Apr 23, 2025

Jakub J. Zakrzewski, Aleksander Hoffman, Junhao Wang, Michał Magott, Hiroko Tokoro, Shin-ichi Ohkoshi, Szymon Chorazy

Multifunctional Uranyl-Based Framework with Labile Coordination Sites: Proton Conduction, Switchable Luminescence, Dielectric Relaxation, and Visible-Light Photochromism

10.26434/chemrxiv-2025-z7tp6

Posted

Apr 23, 2025

Anthony Richardson, Franz Gruber, David Day, Darren Edwards, Irene Georgiou, Zoe Johnston, Halimatu Joji, Sarah Martins da Silva, Rachel Myles, Neil Norcross, Kevin Read, Jason Swedlow, Caroline Wilson, Christopher Barratt, Ian Gilbert

Compounds reducing human sperm motility as potential non hormonal contraceptives identified using a high-throughput phenotypic screening platform

10.26434/chemrxiv-2025-gp9k9

Posted

Apr 23, 2025

Patrick Harders, Tim Raeker, Lorenz Pietsch, Christian Näther, Bernd Hartke, Anna McConnell

Diastereoselective Amidoboronate Formation and Transformation from a rac to a Different meso Amidoboronate via Dynamic C-C Bonds

10.26434/chemrxiv-2025-1jb47

Posted

Apr 23, 2025

Stephen Meech, James Bull, Giovanni Bressan

Two-Dimensional Electronic Spectroscopy of Betaine-30

10.26434/chemrxiv-2025-k9rtv-v2

Posted

Apr 23, 2025

Pit Steinbach, Christoph Bannwarth

Acceleration of semi-empirical electronic structure theory calculations on consumer-grade GPUs using mixed precision density matrix purification

10.26434/chemrxiv-2025-dqh6v-v2

Posted

Apr 23, 2025

Yuxinxin Chen, Pavlo O. Dral

One To Rule Them All: A Universal Interatomic Potential Learning Across Quantum Chemical Levels

10.26434/chemrxiv-2024-ng3ws-v2

Posted

Apr 23, 2025

Eveline Tiekink, Matthijs Kragtwijk, Trevor Hamlin

Small Molecule Activation by Metallylenes and Their Follow-up Reactions

10.26434/chemrxiv-2025-9qhmg-v2

Posted

Apr 23, 2025

Dana Ezzeddine, Daniel Barzycki, Ralm Ricarte

Impact of Cross-link Density on Polybutadiene Permanent and Vitrimer Networks

10.26434/chemrxiv-2025-650nc

Posted

Apr 23, 2025

Pavel Kulyabin, Tianhuai Xu, Yogeshwar More, Harini Sampathkumar, Ketan Pancholi, Ollie Page, Chloe Rennie, Lea Hämmerling, Kelly Lima, Eli Zysman Colman, Jin-Chong Tan, Amit Kumar

Semi-renewable Polyamides Containing Disulfide Bonds: Syn-thesis, Degradation, Self-Healing, and Triboelectric Properties

10.26434/chemrxiv-2025-5r0xn

Posted

Apr 23, 2025

Yizhen Liu, Jie Zhang, Zuowei Xie

Carboranyl-B-Mg: synthesis, reactivity, and nucleophilicity

10.26434/chemrxiv-2025-m98xx

Posted

Apr 23, 2025

Pau Rocabert-Oriols, Núria López, Javier Heras-Domingo

Multi-Modal Contrastive Learning for Chemical Structure Elucidation with VibraCLIP

10.26434/chemrxiv-2025-kwjzv

Posted

Apr 23, 2025

Hao Long, Georgina Kirby, Lutz Ackermann

Single-Pot Mechanochemically-Enabled Fluorine Atom Closed- Loop Economy Using PFASs as Fluorinating Agents

10.26434/chemrxiv-2025-02hh7

Posted

Apr 23, 2025

Ralfy Kenaz, Saptarshi Ghosh, Mailis Lounasvuori, Namrata Sharma, Sergei Remennik, Atzmon Vakahi, Hadar Steinberg, Tristan Petit, Ronen Rapaport, Andreas Furchner

Optical, Structural, and Charge Transport Properties of Individual Ti3C2Tx MXene Flakes via Micro-Ellipsometry and Beyond

10.26434/chemrxiv-2025-3qdg4

Posted

Apr 23, 2025

Paulina Szymczak, Wojciech Zarzecki, Jiejing Wang, Yiqian Duan, Jun Wang, Luis Pedro Coelho, Cesar de la Fuente-Nunez, Ewa Szczurek

AI-Driven Antimicrobial Peptide Discovery: Mining and Generation

10.26434/chemrxiv-2025-93wkh

Posted

Apr 23, 2025

Ying Chen, Christoph Bannwarth

An automated intermolecular reaction discovery approach relying on heuristic atom-partitioned frontier orbital features

10.26434/chemrxiv-2025-w9p8d

Posted

Apr 23, 2025

Andrea Gelardo, Gustavo Alfredo Titaux-Delgado

3D-printed device for efficient packing of semisolid samples in 3.2 mm rotors used in cryoprobe systems.

10.26434/chemrxiv-2025-1w3h8

Posted

Apr 23, 2025

Pulsecal: A valuable tool, but cautio consilium for use in deuterated organic solvents

Karel Klika

10.26434/chemrxiv-2025-h1h9s

Posted

Apr 23, 2025

Dimitrios Karagrigoriou, Peter Korevaar

Surfactant assemblies directing chemical transfer cascades in convective Marangoni flow pumps.

10.26434/chemrxiv-2025-8jlgh

Posted

Apr 23, 2025

José Luís Velázquez-Libera, Rodrigo Recabarren, Esteban Vöhringer-Martinez, Yamisleydi Salgueiro, J. Javier Ruiz-Pernía, Julio Caballero, Iñaki Tuñón

Multi-objective evolutionary strategy for improving semiempirical Hamiltonians in the study of enzymatic reactions at the QM/MM level of theory

10.26434/chemrxiv-2025-pvztk-v2

Posted

Apr 23, 2025

Yanchen Sun, Bryan James, Katelyn Houston, Brian Edwards, Mounir Izallalen, Sharmistha Mazumder, Rahul Shankar, Christopher Reddy, Collin Ward

Temperature Controls the Lifetimes and Microbial Communities Degrading Cellulose Diacetate in the Coastal Ocean

10.26434/chemrxiv-2025-qd41h

Posted

Apr 23, 2025

Life Sciences

The Neural Basis of Aging

Brennan Jackson

10.33774/coe-2025-fcg76-v2

Posted

Apr 23, 2025

Diego E. Galvez-Aranda, Soorya Saravanan, Alejandro A. Franco

Human-Centered Holographic Assistant Using Computer Vision to Interact with Battery Manufacturing Machinery in a Predictive Manner

10.26434/chemrxiv-2025-n8mcs

Posted

Apr 24, 2025

Julia Maciejewska-Komorowska, Karolina Peret, Marta Zaleskaya-Hernik, Jan Romański, Martin Jönsson-Niedziółka

Application of the oxidation reaction of a ferrocene derivative (FcSQC6) as driving force for the transfer of hydrophilic sulfate anions at a three-phase electrode

10.26434/chemrxiv-2025-dvpqq

Posted

Apr 24, 2025

Jackson Elowitt, Nathan May, Yihui Wei, Biswajit Sadhu, Enrique Alvarado, Bala Krishnamoorthy, Aurora Clark

Electron Density Transport During Chemical Reactions

10.26434/chemrxiv-2025-7xpv7

Posted

Apr 24, 2025

Christian Escritt, Katrina Betz, Micah Miles, Elijah Schnitzler

Effect of biomass burning organic aerosol on the structure of black carbon at the wildland-urban interface varies with evaporative aging

10.26434/chemrxiv-2025-gxfmq

Posted

Apr 24, 2025

Chao Peng, Youzhi Xu, Wenfeng Liu, Yuntao Yuan, Haiyang Wang, Peng Huang, Genping Huang, Shiyong Peng

Unified Synthesis of Cycloheptatriene-Fused Hetero-Bicyclo[3.1.1]heptanes by Lewis Acid-Catalyzed Higher-Order [8+3] Cycloaddition of Bicyclo[1.1.0]butanes with Troponoids

10.26434/chemrxiv-2025-vvgnc

Posted

Apr 24, 2025

Nikita Chopra, Ara Abramyan, Zeineb Si Chaib, Wei Chen, Yeyue Xiong, Anna Bochicchio, David Rinaldo, Steven Jerome, Yuqi Zhang

Enabling in-silico Hit Discovery Workflows Targeting RNA with Small Molecules

10.26434/chemrxiv-2025-3f4g4-v2

Posted

Apr 24, 2025

Sanghita Sengupta, Zheng Pei, Chance Lander, Carly Wickizer, Yu Homma, Hadi Afashari, Pengfei Huo, Yu Zhang, Sergei Tretiak, Lloyd Bumm, Madalina Furis, Yihan Shao

Towards a Theoretical Understanding of Excitonic Properties of Pthalocyanine Thin Films. I. Low-Temperature Exciton Absorption Spectra

10.26434/chemrxiv-2025-xczd9-v2

Posted

Apr 24, 2025

Ramsey Issa, Robert Sorenson, Taylor D. Sparks

Beyond Trial and Error: Accelerated Bayesian Design of Dental Adhesives

10.26434/chemrxiv-2024-qvpz7-v2

Posted

Apr 24, 2025

Brian Daniels, Bryan Blackburn, Silas Scribner, Vy Dong

Pathway to P(V)-Stereogenic Phosphoramidates by Enantioselective Yttrium Catalysis

10.26434/chemrxiv-2025-3phkh-v2

Posted

Apr 24, 2025

Wonju Kim, Yeongran Hwang, Xiao Liu, Minkyo Jung, Srikanta Sahu, Ji-Young Mun, Young-Tae Chang, Beomsue Kim

Visualizing biomolecules within living microglia in complex environments using a clickable small fluorogenic compound

10.26434/chemrxiv-2024-kq3lz-v2

Posted

Apr 24, 2025

ByungUk Park, Reid Van Lehn

Bioinspired Design Rules for Flipping across the Lipid Bilayer from Systematic Simulations of Membrane Protein Segments

10.26434/chemrxiv-2024-bpgtt-v2

Posted

Apr 24, 2025

Yiwen Zhang, Zihao YE, Dejun HU, Shutao QI, Zuobang SUN, Junfeng YANG, Yan MA, Yi ZHANG, Junliang ZHANG, Zhiming LI

QC-Augmented GNNs for Few-Shot Prediction of Amorphous Polymer Properties via Multi-Scale Microstructures

10.26434/chemrxiv-2025-nt0jx-v2

Posted

Apr 24, 2025

Kishan K. Yadav, Ritaj Tyagi, Vamsee K. Voora, Jyotishman Dasgupta

Directing an Elusive Photoredox [4+2] Cycloaddition Reaction in Water by Altering the Shape of Nano-confinement

10.26434/chemrxiv-2025-sffb5-v2

Posted

Apr 24, 2025

Jordan D. Sosa, Arunraj Balaji-Wright, Jintao Wu, Luana Cristina Italiano Faria, Abdulrahman M. Alfaraidi, Kyumin Lee, Matthew E. Suss, Ali Mani, Filipe Camargo Dalmatti Alves Lima, Frank Nelson Cresphilho, Michael J. Aziz

Confinement of Organic Molecules in Microporous Electrodes for Enhanced Energy Storage

10.26434/chemrxiv-2025-ql291

Posted

Apr 24, 2025

Anna Katharina Picha, Marcus Wieder, Stefan Boresch

Condensed phase properties and transferable neural network potentials

10.26434/chemrxiv-2025-wvgg0

Posted

Apr 24, 2025

Naoyuki Harada, Hayato Shoyama, Nutnicha Boonmong, Kiichi Mizukami, Yuya Watanabe, Pei Zhao, Masahiro Ehara, Yoichi Sasaki, Nobuo Kimizuka

Sterically Protected π-Electron Systems Enables Efficient, Sunlight-Driven Solid-State Photon Upconversion

10.26434/chemrxiv-2025-mmh9d

Posted

Apr 24, 2025

Ethan Lim, Bradley Cooper, Muralidharan Shanmugam, Jonathan Da Luz, Eric McInnes, Cristina Trujillo, James Douglas, Michael James

Reductive Radical Chain Initiation Through the Thermal Generation of Carbon Dioxide Radical Anion

10.26434/chemrxiv-2025-b3059

Posted

Apr 24, 2025

Data-driven discovery of chemical reaction mechanisms from limited concentration profiles

Shun Hayashi

10.26434/chemrxiv-2025-2cw0z

Posted

Apr 24, 2025

Arun Kumar Manna, Susmita Kundu, Dipak Maity, Suvendu Panda, Sounak Chatterjee, Nivedita Sikdar, Tharangattu N Narayanan, Ritesh Haldar

Light-activated charged nanopores in gas permselective membrane

10.26434/chemrxiv-2025-7xrc5

Posted

Apr 24, 2025

Akanksha Babbar, Mohammad Saleem, Dongari Yadagiri

Convergent Synthesis of Functionalized Indolines from Alkyl Aryl Tertiary Amines and Diazoesters via Visible Light-Driven [4+1]-Annulation Approach

10.26434/chemrxiv-2025-2nh5m

Posted

Apr 24, 2025

Blake Ocampo, Bilal Altundas, Matthew Bock, Sara Feiz, Scott Denmark

Data-Driven Prediction of Enantioselectivity for the Sharpless Asymmetric Dihydroxylation: Model Development and Experimental Validation

10.26434/chemrxiv-2025-zp7rn

Posted

Apr 24, 2025

FABRIZIO MASTROLORITO, Fulvio Ciriaco, Orazio Nicolotti, Francesca Grisoni

Enhancing deep chemical reaction prediction with advanced chirality and fragment representation

10.26434/chemrxiv-2025-jl6l9

Posted

Apr 24, 2025

Artem Mishchenko, Anupam Bhattacharya, Xiangwen Wang, Henry Pentz, Yihao Wei, Qian Yang

Deep Learning Methods for 2D Material Electronic Structures

10.26434/chemrxiv-2025-xz82x

Posted

Apr 24, 2025

Bryan James, Yanchen Sun, Kali Pate, Brenden Irving, Collin Ward

Designing circular, sustainable, and non-persistent consumer plastic products: a case study of drinking straws

10.26434/chemrxiv-2025-vtczp

Posted

Apr 24, 2025

Mantas Liutkus, Adriana Rojas, Aitziber Cortajarena

Rational Crystal Contact Engineering for Programmable Self-Assembled Protein Architectures

10.26434/chemrxiv-2025-tnk5w

Posted

Apr 24, 2025

Xun Tang, Huayu Li, Andres Lizano-Villalobos

A spectroscopic data-sparing modeling framework for crystallization composition prediction

10.26434/chemrxiv-2025-p8gcs

Posted

Apr 24, 2025

Lignin Derived Chemicals and Aromatics: A Review

John Slavinskas

10.26434/chemrxiv-2025-cprrn

Posted

Apr 24, 2025

Leonardo Rafael Medrano Sandonas, Mirela Puleva, Ricardo Parra Payano, Martin Stöhr, Gianaurelio Cuniberti, Alexandre Tkatchenko

Advancing Density Functional Tight-Binding method for Large Organic Molecules through Equivariant Neural Networks

10.26434/chemrxiv-2025-z3mhh

Posted

Apr 24, 2025

Sompriya Chatterjee, Dhiman Ray

Characterizing RNA Tetramer Conformational Landscape Using Explainable Machine Learning

10.26434/chemrxiv-2025-xhhvb

Posted

Apr 24, 2025

Kane Bastick, Caleb Griesbach, Ben Zhen Huang, Yang (Daniel) Ou, Morgan Cordell, Alán Aspuru-Guzik, Andrei Yudin

Frame-shifted synthesis of oligoheterocycles as a platform for sustainable molecular design

10.26434/chemrxiv-2025-pt3g4

Posted

Apr 24, 2025

Huei-Ching Liao, Yen-Hsiang Lin, Chi-How Peng, Yi-Pei Li

Directed Message Passing Neural Networks for Accurate Prediction of Polymer-Solvent Interaction Parameters

10.26434/chemrxiv-2025-0b4j9

Posted

Apr 24, 2025

Mariano Caruso, Alejandro Giraldo, Daniel Ruiz, Guido Bellomo

Quantum QSAR for drug discovery

10.26434/chemrxiv-2025-l2t8v

Posted

Apr 25, 2025

Chase Rotteger, Hannah Rucker, Madison Sobol, Scott Sayres

Calculated Magnetic and Geometric Structures of Neutral Copper Oxide Clusters

10.26434/chemrxiv-2025-2nsn9

Posted

Apr 25, 2025

Pavel Nosik, Denys Kvasha, Mykola Pashko, Alexander Rozhenko, Dmytro Volochnyuk, Serhiy Ryabukhin

3,3-Difluorocyclopropenes as Synthons for Substituted Pyridazines

10.26434/chemrxiv-2025-9s63f

Posted

Apr 25, 2025

Physics-Informed Machine Learning Enables Rapid Macroscopic pKa Prediction

Corin Wagen

10.26434/chemrxiv-2025-t8s9z

Posted

Apr 25, 2025

Xiaohui Wang, Zijing Wu, Zhihao Gong, Danial Muhammad, Peifeng Su, Zhaoxi Sun

All-atom Picture of Cucurbituril Detoxification Coordination

10.26434/chemrxiv-2025-1x058

Posted

Apr 25, 2025

Per Reichert, Frederikke Gleerup Christensen, Mathias Hatting Petersen, Swetha Gopalakrishnan, Jonas Sundberg

Tuning the Adsorption Properties for Selective Capture of Perfluorinated Compounds Using Multivariate Metal-Organic Frameworks

10.26434/chemrxiv-2025-bzsth

Posted

Apr 25, 2025

Van-Thinh To, Phuoc-Chung Van-Nguyen, Gia-Bao Truong, Tuyet-Minh Phan, Tieu-Long Phan, Rolf Fagerberg, Peter Stadler, Tuyen Truong

KGG: Knowledge-Guided Graph Self-Supervised Learning to Enhance Molecular Property Predictions

10.26434/chemrxiv-2025-0c3rz

Posted

Apr 25, 2025

Binelli Baptiste, Alice Kermarrec, Valérie Beaumal, Alain Riaublanc, Ha Phuong TA/NGUYEN

Nutritional value of Chlorella vulgaris : Implication of color

10.26434/chemrxiv-2025-5ldw9

Posted

Apr 25, 2025

Nozomu Suzuki, Toyoko Suzuki, Hideto Minami

Theoretical Insights into the Racemization Kinetics of Helical Foldamers: Extended Chain Inhibits Propagation of Helical Reversal from One End to Another

10.26434/chemrxiv-2025-bxmvx-v6

Posted

Apr 25, 2025

From short-sighted to far-sighted: A comparative study of recursive machine learning approaches for open quantum systems

Arif Ullah

10.26434/chemrxiv-2025-1rlxr-v2

Posted

Apr 25, 2025

Anne Briot-Dietsch, Marc-André DELSUC, Laura DUCIEL, Julia ASENCIO HERNANDEZ

qNMR fluorine pollution analysis: perspectives on PFAS exposure characterisation using 19F NMR

10.26434/chemrxiv-2025-hdnzl-v2

Posted

Apr 25, 2025

Victor Alves, John Kitchin

Generative machine learning approaches to optimization

10.26434/chemrxiv-2025-hk886-v2

Posted

Apr 25, 2025

Chandrika Ghosh, Raymundo Hernandez, Matthew Andrews, Amit Kumar

Upgradation of PET-derived 1,4-benzenedimethanol to make high-value alcohols

10.26434/chemrxiv-2024-qd9kk-v2

Posted

Apr 25, 2025

Leonardo José Duarte, Erick Henrique Souza Alves, Ataualpa Albert Carmo Braga

Energetic origins of the hydrogen-bond redshift: IQA partitioning of normal modes force constants

10.26434/chemrxiv-2024-q1b7h-v2

Posted

Apr 25, 2025

Yuman Hordijk, Bart Waaijer, Christopher Kelly, Trevor Hamlin

Methyl Radical Addition Reactions to C=X Double Bonds

10.26434/chemrxiv-2025-2fh54

Posted

Apr 25, 2025

Svenja Schmidt, Modupe N. Adebowale, Evgeny Rebrov, Ian Fisk, Ni Yang, Maria Saarela, Volker Hessel

Evaluating the impact of simulated microgravity of a Random Positioning Machine on the stability of emulsions applying scaling analysis via dimensionless numbers

10.26434/chemrxiv-2025-327tp

Posted

Apr 25, 2025

Ganesh Raghavendran, Alex Liu, Oleg Borodin, Nathan Hahn, Kevin Leung, Na Ri Park, Tejas Nivarty, Mingqian Li, Aiden Larson, Yijie Yin, Minghao Zhang, Ying Shirley Meng

Recoverable Aggregate-Rich Liquefied Gas Electrolytes for Enabling High-Voltage Lithium Metal Batteries

10.26434/chemrxiv-2025-9mrfx

Posted

Apr 25, 2025

Sakthi Raje, Katarzyna Młodzikowska-Pieńko, Amnon Stanger, Renana Gershoni-Poranne, Graham de Ruiter

Metallaaromaticity Reimagined: Metallaaromatic Cobalt Macrocycles Through Metal-Ligand Coordination Chemistry

10.26434/chemrxiv-2025-pg6sw

Posted

Apr 25, 2025

ARTURO LLAMOSÍ FORNÉS, Marcin A. Olejnik, Oksana Danylyuk, Michał Rode, Agnieszka Szumna

Competition Between Photoswitching and Fluorescence in Hemiindigos and Hemithioindigos

10.26434/chemrxiv-2025-c58f7

Posted

Apr 25, 2025

Capturing Excited State Proton Transfer Dynamics with Reactive Machine Learning Potentials

Umberto Raucci

10.26434/chemrxiv-2025-vcbcz

Posted

Apr 25, 2025

Henry Vider, Nikolai Treiberg, Kait Kaarel Puss, Mart Loog, Siim Salmar

Fractionation of Lignin with Aqueous Organic Solvents: A Step Closer to Sustainable Wood Biorefinery

10.26434/chemrxiv-2025-pn17c

Posted

Apr 25, 2025

Sudarshan Behera, David Hahn, Carter Wilson, Simone Marsili, Gary Tresadern, Vytautas Gapsys, Bert de Groot

Quantification of the Impact of Structure Quality on Predicted Binding Free Energy Accuracy

10.26434/chemrxiv-2025-bmk1b

Posted

Apr 25, 2025

Hyeok Jae Lee, Ikhyeong Jun, Hyun Woo Kim

Explaining Blood-Brain Barrier Permeability by Synergistic Effect on Molecular Substructures

10.26434/chemrxiv-2025-0l2hx

Posted

Apr 25, 2025

Adrian H. Hergesell, Stephan Popp, Raghavendra Meena, Claire L. Seitzinger, Carsten Sievers, Guanna Li, Ina Vollmer

Homolytic fracture of inorganic crystalline materials enhances the mechanochemical degradation of polypropylene

10.26434/chemrxiv-2025-lnhzj

Posted

Apr 25, 2025

Simran Simran, Maxym Tansky, Seth Trabulsi, Liangzi Deng, Ching-Wu Chu, Andrew Ozarowski, Robert Comito

Cooperative Enhancement of Redox Catalysis by a Binucleated Divanadium Complex for Sustainable Oxidation

10.26434/chemrxiv-2025-ksrvb

Posted

Apr 25, 2025

Bipyridine-Functionalized Cd(II) Coordination Frameworks Based on Robust Cyclophosphazenes: Structural Engineering toward Enhanced Photocatalytic Activity

Elif Özcan, Yunus Zorlu

10.26434/chemrxiv-2025-fpz9l

Posted

Apr 25, 2025

Salvatore Michele De Marco

Partial or indeterminate production in political economy

Posted

Apr 25, 2025

10.33774/coe-2025-c0wc8

Garrett LeCroy, Linu Malakkal, Michael Woods, Qiufeng Yang, Benjamin Beeler, Ruchi Gakhar

Versatile Cell Design for Molten Fluoride Salt Spectroscopy: Investigating Metal-Ion Speciation in High-Temperature eutectic LiF-NaF-KF

10.26434/chemrxiv-2025-44k4r

Posted

Apr 25, 2025

Scott McGuigan, Carrie Donley, Erika Ortiz, Shaun O'Donnell, Magnus Pauly, Eric Stach, Paul Maggard

Molecular Modifications of Crystalline Poly(triazine imide) for Advancing its Structure-Property Relationships in Light-Driven Catalysis

10.26434/chemrxiv-2025-nz4m2

Posted

Apr 25, 2025

Shoma Ito, Takuto Koyama, Shigeyuki Matsumoto, Ryosuke Kojima, Yuji Okamoto, Masataka Kuroda, Hitoshi Kawashima, Reiko Watanabe, Tomoki Yonezawa, Takaaki Sumiyoshi, Kazuyoshi Ikeda, Kenji Mizuguchi, Hiroaki Iwata, Yasushi Okuno

Improving ADME Prediction with Multitask Graph Neural Networks and Assessing Explainability in Lead Optimization

10.26434/chemrxiv-2025-ls77r

Posted

Apr 25, 2025

Bayesian Illumination: Inference and Quality-Diversity Accelerate Generative Molecular Models

Jonas Verhellen

10.26434/chemrxiv-2024-tqf0x-v4

Posted

Apr 25, 2025

Shuhao Zhang, Michael Chigaev, Olexandr Isayev, Richard Messerly, Nicholas Lubbers

Including physics-informed atomization constraints in neural networks for reactive chemistry

10.26434/chemrxiv-2024-lsp3k-v2

Posted

Apr 25, 2025

Yuichiro Mutoh, Relam Khalaf, Sobi Asako, Laurean Ilies

Borylation of Simple Arenes Enabled by π-Coordination

10.26434/chemrxiv-2025-bszc1-v2

Posted

Apr 25, 2025

Yifei Yue, Athulya S. Palakkal, Duane N. Loh, Jianwen Jiang

Are Hemilabile Metal−Organic Frameworks Overlooked as Promising Water-Stable Adsorbents? Elucidating Their Physical and Hydrolytic Properties Using Machine-Learned Potentials

10.26434/chemrxiv-2025-m5mk0

Posted

Apr 25, 2025

Preserve, Pressure, Protect, and Peel: The US-China Rivalry and the Politics of Vaccine Provision

Rikio Inouye

10.33774/apsa-2023-zwqbq-v3

Posted

Apr 25, 2025