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

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

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

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

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

Law

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

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

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

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

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

Law

Responsibility and Allocation for Environmental Damage Caused by Marine Plastic

HO JEONG DAN

Posted

Apr 05, 2025

10.33774/coe-2025-dk9nv

Economics

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

Engineering

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

Computer Science

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

John Onimisi Obidi

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

John Onimisi Obidi

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

Presentation

One Algorithm to Rule Them All

Posted

Apr 05, 2025

10.33774/coe-2025-4z248

Law

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

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

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

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

Sascha Thinius

10.26434/chemrxiv-2025-c51jx

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

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

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

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

hoosdally shakeel

10.26434/chemrxiv-2025-29bnr

Posted

Apr 07, 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

Posted

Apr 07, 2025

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

Veronika Šlachtová, Daniel Bím, Ksztina Németh, Eliza Barańska, Simona Bellová, Martin Dračínský, Rastislav Dzijak, 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

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

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-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

Computer Science

Arman Zhalgasbayev, Nursultan Khaimuldin

OIKAN v0.0.1: Optimized Interpretable Kolmogorov-Arnold Networks

Posted

Apr 08, 2025

10.33774/coe-2025-99prp

Computer Science

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

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

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

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

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