Archive | Cambridge Open Engage

Version undefined posted 02 May 2020

Graduation exams for medical students: A proposal.

Shaza Hamad

Posted

May 02, 2020

10.33774/coe-2020-5nzgt

Economics

Jadson Belem de Moura, Rodrigo Ferndandes de Souza

IMPACTS OF SARS-COV-2 ON BRAZILIAN AGRIBUSINESS

Version undefined posted 02 May 2020

Posted

May 02, 2020

10.33774/coe-2020-kp2rd-v2

Xiang Gao, Farhad Ramezanghorbani, Olexandr Isayev, Justin Smith, Adrian Roitberg

TorchANI: A Free and Open Source PyTorch Based Deep Learning Implementation of the ANI Neural Network Potentials

10.26434/chemrxiv.12218294.v1

Posted

May 04, 2020

Alex Chew, Shengli Jiang, Weiqi Zhang, Victor Zavala, Reid Van Lehn

Fast Predictions of Liquid-Phase Acid-Catalyzed Reaction Rates Using Molecular Dynamics Simulations and Convolutional Neural Networks

10.26434/chemrxiv.11299121.v2

Posted

May 04, 2020

Geometry-Wave Potential Quantified and Unified Properties in General Chemistry

Zheng Tian

10.26434/chemrxiv.9759581.v7

Posted

May 04, 2020

Dharmendra Kumar Maurya, Deepak Sharma

Evaluation of Traditional Ayurvedic Preparation for Prevention and Management of the Novel Coronavirus (SARS-CoV-2) Using Molecular Docking Approach

10.26434/chemrxiv.12110214.v2

Posted

May 04, 2020

William Mangione, Zackary Falls, Thomas Melendy, Gaurav Chopra, Ram Samudrala

Shotgun Drug Repurposing Biotechnology to Tackle Epidemics and Pandemics

10.26434/chemrxiv.12045318.v2

Posted

May 04, 2020

Muhammad Umer Anwar, Farjad Adnan, Asma Abro, Muhammad Rayyan Khan, Asad Ur Rehman, Muhammad Osama, Saad Javed, Ahmadullah Baig, Muhammad Raffey Shabbir, Muhammad Zaman Assir

Combined Deep Learning and Molecular Docking Simulations Approach Identifies Potentially Effective FDA Approved Drugs for Repurposing Against SARS-CoV-2

10.26434/chemrxiv.12227363.v1

Posted

May 04, 2020

Shruti Koulgi, Vinod Jani, Mallikarjunachari Uppuladinne, Uddhavesh Sonavane, Asheet Kumar Nath, Hemant Darbari, Rajendra Joshi

Drug Repurposing Studies Targeting SARS-nCoV2: An Ensemble Docking Approach on Drug Target 3C-like Protease (3CLpro)

10.26434/chemrxiv.12228831.v1

Posted

May 04, 2020

Marti Lopez, Francesc Vines, Michael Nolan, Frances Illas

Predicting the Effect of Dopants on CO2 Adsorption on Transition Metal Carbides: Case Study on TiC (001)

10.26434/chemrxiv.12228992.v1

Posted

May 04, 2020

Matthew Kroonblawd, Ryan Austin

Sensitivity of Pore Collapse Heating to the Melting Temperature and Liquid-phase Shear Viscosity of HMX

10.26434/chemrxiv.12226946.v1

Posted

May 04, 2020

Maryam Reisjalali, Jose Javier Burgos Marmol, Alessandro Troisi

Local Structuring of Diketopyrrolopyrrole (DPP)-Based Semiconducting Polymers Using Molecular Dynamics Simulations

10.26434/chemrxiv.12226859.v1

Posted

May 04, 2020

Dario Brambilla, Laura Sola, Marcella Chiari

Advantageous Antibody Microarray Fabrication Through DNA-Directed Immobilization: A Step Toward Use of Extracellular Vesicles in Diagnostics

10.26434/chemrxiv.12227255.v1

Posted

May 04, 2020

Abdul Malik, Laurence A. Angel, Riccardo Spezia, William L. Hase

Collisional Dynamics Simulations Revealing Fragmentation Properties of Zn(II)-Bound Poly-Peptide

10.26434/chemrxiv.12227336.v1

Posted

May 04, 2020

Management

Jyoti Koirala, Suman Acharya, Madhusudan Neupane, Motiram Phuyal, Nimananda Rijal, Umesh Kumar Khanal

Government Preparedness and Response for 2020 Pandemic Disaster in Nepal: A Case Study of COVID-19

Posted

May 04, 2020

10.33774/coe-2020-ghj8v

Chuanli Wu, Demetris Bates, Sara Sangtarash, Nicolò Ferri, Aidan Thomas, Simon Higgins, Craig M. Robertson, Richard Nichols, Hatef Sadeghi, Andrea Vezzoli

Single-Molecule Junction Origami

10.26434/chemrxiv.12229202.v1

Posted

May 05, 2020

Xiaoyu Wen, Jian Zhang, Hewei Luo, Charlene Tsay, Huanhuan Jiang, Ying-Hsuan Lin, Juchen Guo

Synthesis and Electrochemical Properties of an Aluminum Hexafluorophosphate Electrolyte

10.26434/chemrxiv.12233513.v1

Posted

May 05, 2020

Lucien Caspers, Julian Spils, Mattis Damrath, Enno Lork, Boris Nachtsheim

One-Pot Synthesis and Conformational Analysis of 6-Membered Cyclic Iodonium Salts

10.26434/chemrxiv.12234665.v1

Posted

May 05, 2020

Israel Temprano, Tao Liu, Enrico Petrucco, James H. J. Ellison, Gunwoo Kim, Erlendur Jónsson, Clare P. Grey

Towards Reversible and Moisture Tolerant Aprotic Lithium-Air Batteries

10.26434/chemrxiv.12221717.v1

Posted

May 05, 2020

sadaf charkhabi, Adam R. Carr, Jiahao Wu, Subhanwit Roy, Andee M. Beierle, Dustin K. Thomas, Leigh Ann M. Long, Michelle Soupir, Nathan M. Neihart, Nigel F. Reuel

Towards Wireless Characterization of Solvated Ions with Uncoated Resonant Sensors

10.26434/chemrxiv.9595628.v2

Posted

May 05, 2020

M. Sabry Abdel-Mottaleb, Yousra Abdel-Mottaleb

In Search for Effective and Safe Drugs Against SARS-CoV-2: Part II] the Role of Selected Salts and Organometallics of Copper, Zinc, Selenium, and Iodine Food Supplements

10.26434/chemrxiv.12234743.v1

Posted

May 05, 2020

Social Science Research Methods

Ravi Sharma, Thara Ravindran

The Epistemological Basis for Constructing Data-Driven Narratives.

Posted

May 05, 2020

10.33774/coe-2020-v0cfc

Flawed methods in “COVID-19: Attacks the 1-Beta Chain of Hemoglobin and Captures the Porphyrin to Inhibit Human Heme Metabolism”

Randy Read

10.26434/chemrxiv.12120912.v2

Posted

May 05, 2020

Gaurav Kumar, Hannah Bossert, Daniel McDonald, Anargyros Chatzidmitriou, M. Alexander Ardagh, Yutong Pang, ChoongSze Lee, Michael Tsapatsis, Omar Abdelrahman, Paul Dauenhauer

Catalysis-in-a-Box: Robotic Screening of Catalytic Materials in the Time of COVID-19

10.26434/chemrxiv.11288885.v2

Posted

May 05, 2020

Sahar Elbager, abdelrahman hamza, Afra M. Al Bkrye, Asia M. Alrashied, Entisar N. M. Ali, Hadeel A. Mohamed, Hazem A. Abubaker, Israa A. Mohamed, Manal A. H. Goda, Mohammed Y. Basher, Naglla F.A. Gabir, Safinaz I. Khalil

Identification of Potential Drug Targets and Prediction of the Potential Impact of High Risk Non Synonymous Single Nucleotide Polymorphism in SARS-CoV-2 3C like Proteinase (3CLpro): A Computational Approach

10.26434/chemrxiv.12235181.v1

Posted

May 05, 2020

Lucas S. Ryan, Jeni Gerberich, Uroob Haris, ralph mason, Alexander Lippert

Quantitative Ratiometric pH Imaging Using a 1,2-Dioxetane Chemiluminescence Resonance Energy Transfer Sensor

10.26434/chemrxiv.12235361.v1

Posted

May 05, 2020

Super-Heavy Elements (Z = 100-109) Treated as Calcium Clusters: First Ionization Energies

Robson de Farias

10.26434/chemrxiv.12235400.v1

Posted

May 05, 2020

Mohamed Fares, Xin Wu, Deepthi Ramesh, William Lewis, Paul Keller, Ethan Howe, Ricardo Pérez-Tomás, Philip Gale

Stimuli-Responsive Cycloaurated ‘OFF-ON’ Switchable Anion Transporters

10.26434/chemrxiv.12235880.v1

Posted

May 05, 2020

Tyra Horngren, Mitchell S. Taylor, Milena Czyz, Anastasios Polyzos

A Multiphoton Single-Electron Reduction of Olefins via Tandem Photoredox Catalysis

10.26434/chemrxiv.12235928.v1

Posted

May 05, 2020

Kazi Faizul Azim, Sheikh Rashel Ahmed, Anik Banik, Md. Mostafigur Rahman Khan, Anamika Deb

Screening and Druggability Analysis of Some Plant Metabolites Against SARS-CoV-2

10.26434/chemrxiv.12235949.v1

Posted

May 05, 2020

Hiroki Kato, Itsuki Musha, Masaaki Komatsuda, Kei Muto, Junichiro Yamaguchi

Catalytic Three-component C–C Bond Forming Dearomatization of Bromoarenes with Malonates and Diazo Compounds

10.26434/chemrxiv.12234740.v1

Posted

May 05, 2020

Sona Lyndem, Sharat Sarmah, Sourav Das, Atanu Singha Roy

In Silico Screening of Naturally Occurring Coumarin Derivatives for the Inhibition of the Main Protease of SARS-CoV-2

10.26434/chemrxiv.12234728.v1

Posted

May 05, 2020

Yury Vishnevskiy, Sebastian Blomeyer, Christian G. Reuter, Oleg A. Pimenov, Sergey A. Shlykov

Combined Gas Electron Diffraction and Mass Spectrometric Experimental Setup at Bielefeld University

10.26434/chemrxiv.12236942.v1

Posted

May 06, 2020

Jeffrey Ting, Alexander Marras, Joseph Mitchell, Trinity Campagna, Matthew Tirrell

Comparing Zwitterionic and PEG Exteriors of Polyelectrolyte Complex Micelles

10.26434/chemrxiv.12237020.v1

Posted

May 06, 2020

Charlotte Coomber, Michael Porter, Abil Aliev, Peter Smith, Tom Sheppard

Tuning Reactivity in Pd-Catalysed C(sp3)-H Arylations via Directing Group Modifications and Solvent Selection

10.26434/chemrxiv.12235514.v1

Posted

May 06, 2020

Sathishkumar N, Bhushan Toley

Transport Phenomena at Test and Control Lines in Lateral Flow Immunoassays Reveal a Path to Expanding Their Dynamic Range

10.26434/chemrxiv.12240338.v1

Posted

May 06, 2020

Dominik Göbel, Marius Friedrich, Enno Lork, Boris Nachtsheim

Clickable Azide-Functionalized Bromo-Aryl-Aldehydes – Synthesis and Photophysical Characterization

10.26434/chemrxiv.12238967.v1

Posted

May 06, 2020

Maryam Hosseini, Wanqiu Chen, Charles Wang

Computational Molecular Docking and Virtual Screening Revealed Promising SARS-CoV-2 Drugs

10.26434/chemrxiv.12237995.v1

Posted

May 06, 2020

Michael Abraham, Philipp Honegger

An Unexpected Oxidative C-O Bond Formation: 11,17a-Dihydrobenzo[4,5]oxazolo[3,2-A]dinaphtho[2,1- C:1',2'-E]azepine

10.26434/chemrxiv.12241193.v1

Posted

May 06, 2020

Stephanie Greed, Edward L. Briggs, Fahima Idiris, Andrew J. P. White, Ulrich Lücking, James Bull

Synthesis of Highly Enantioenriched Sulfonimidoyl Fluorides and Sulfonimidamides by Stereospecific SuFEx Reaction

10.26434/chemrxiv.12240746.v1

Posted

May 06, 2020

Md Mhahabubur Rhaman, Mohammad Hasan, Zulfikhar A. Ali, Douglas Powell, Ritesh Tandon, Bryan Wong, Alamgir Hossain

Charge-Density Induced Discrimination of Halides with a Rigid Dinuclear Copper(II) Complex

10.26434/chemrxiv.12235973.v1

Posted

May 06, 2020

Dario Brambilla, Laura Sola, Elisa Chiodi, Natasa Zarovni, Diogo Fortunato, Mattia Criscuoli, Vincenza Dolo, Ilaria Giusti, Valentina Murdica, Riccardo Vago, Marcella Chiari

Separation of Extracellular Vesicles by DNA-Directed Immunocapturing Followed by Enzymatic Release

10.26434/chemrxiv.12234683.v1

Posted

May 06, 2020

Jiapeng Liu, Ting Hei Wan, Francesco Ciucci

A Bayesian View on the Hilbert Transform and the Kramers-Kronig Transform of Electrochemical Impedance Data: Probabilistic Estimates and Quality Scores

10.26434/chemrxiv.12152529.v2

Posted

May 06, 2020

Authoritarianism in the time of COVID.

Angie Hesham

Posted

May 06, 2020

10.33774/coe-2020-pmh32

Xinglong Zhang, Robert Paton

Stereoretention in Styrene Heterodimerisation Promoted by One-Electron Oxidants

10.26434/chemrxiv.12234416.v2

Posted

May 06, 2020

Torsha Moitra, Aurora Ponzi, Henrik Koch, Sonia Coriani, Piero Decleva

On the Accurate Description of Photoionization Dynamical Parameters

10.26434/chemrxiv.12249755.v1

Posted

May 06, 2020

Anthony Wang, Ryan Murdock, Steven Kauwe, Anton Oliynyk, Aleksander Gurlo, Jakoah Brgoch, Kristin Persson, Taylor Sparks

Machine Learning for Materials Scientists: An Introductory Guide Towards Best Practices

10.26434/chemrxiv.12249752.v1

Posted

May 06, 2020

Aditya Rao, VG Saipradeep, Thomas Joseph, Sujatha Kotte, Naveen Sivadasan, Rajgopal Srinivasan

Text and Network-Mining for COVID-19 Intervention Studies

10.26434/chemrxiv.12234564.v2

Posted

May 06, 2020

Radu Talmazan, Klaus R. Liedl, Bernhard Kräutler, Maren Podewitz

The intermolecular anthracene-transfer in a regiospecific antipodal C60 difunctionalization

10.26434/chemrxiv.11968743.v3

Posted

May 06, 2020

Chuanding Dong, Stefan Schumacher

Molecular Doping in Multi-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding

10.26434/chemrxiv.12245537.v1

Posted

May 06, 2020

Raul Flores, Christopher Paolucci, Kirsten Winther, Ankit Jain, Jose Antonio Garrido Torres, Muratahan Aykol, Joseph H. Montoya, Jens Kehlet Nørskov, Michal Bajdich, Thomas Bligaard

Active Learning Accelerated Discovery of Stable Iridium-oxide Polymorphs for the Oxygen Evolution Reaction

10.26434/chemrxiv.12245648.v1

Posted

May 06, 2020

Zachary Glick, Derek Metcalf, Alexios Koutsoukas, Steven Spronk, Daniel Cheney, David Sherrill

AP-Net: An Atomic-Pairwise Neural Network for Smooth and Transferable Interaction Potentials

10.26434/chemrxiv.12246020.v1

Posted

May 06, 2020

Ammar Al-Shameri, Sebastian Willot, Caroline Paul, Frank Hollmann, Lars Lauterbach

H2 as Fuel for Flavin- and H2O2-Dependent Biocatalytic Reactions

10.26434/chemrxiv.12249263.v1

Posted

May 06, 2020

Marat Korsik, Edwin Tse, David Smith, William Lewis, Peter J. Rutledge, Matthew Todd

Tele-Substitution Reactions in the Synthesis of a Promising Class of Antimalarials

10.26434/chemrxiv.12212927.v1

Posted

May 06, 2020

Barbara Souza, Jin-Chong Tan

Mechanochemical Approaches Towards the in Situ Confinement of 5-FU Anti-Cancer Drug Within MIL-100 (Fe) Metal-Organic Framework

10.26434/chemrxiv.12249092.v1

Posted

May 06, 2020

Scholarly Communication

George Eromosele, Olabis Adesina

STATE OF DIGITIZATION OF LIBRARY RESOURCES IN THE UNIVERSITY OF ILORIN LIBRARY, NIGERIA

Posted

May 06, 2020

10.33774/coe-2020-mv929

Lu Li, Artem M. Rumyantsev, Samanvaya Srivastava, Siqi Meng, Juan de Pablo, Matthew Tirrell

Effect of Solvent Quality on the Phase Behavior of Polyelectrolyte Complexes

10.26434/chemrxiv.12248786.v1

Posted

May 06, 2020

Surface curvature-quantized energy and forcefield in spacetime-warped chemical physics

Zheng Tian

10.26434/chemrxiv.11495811.v7

Posted

May 06, 2020

Sherin D R, Thanathu Krishnan Manojkumar, R. Prakash Chandran, Sobha V Nair

Molecular Docking and Dynamics Simulation Study of Telomerase Inhibitors as Potential Anti-Cancer Agents

10.26434/chemrxiv.12241166.v1

Posted

May 07, 2020

Benjamin D. Grant, Caitlin E. Anderson, John R Williford, Luis F. Alonzo, Veronika A. Glukhova, David S. Boyle, Bernhard H. Weigl, Kevin P Nichols

A SARS-CoV-2 Coronavirus Antigen-Detecting Half-Strip Lateral Flow Assay Towards the Development of Point of Care Tests Using Commercially Available Reagents

10.26434/chemrxiv.12250142.v1

Posted

May 07, 2020

Tiago Elias Allievi Frizon, José H. Cararo, Sumbal Saba, Gustavo C. Dal-Pont, Monique Michels, Hugo de C. Braga, Tairine Pimentel, Felipe Dal-Pizzol, Samira Silva Valvassori, Jamal Rafique

Synthesis of Novel Selenocyanates and Evaluation of Their Effect in Cultured Mouse Neurons Submitted to Oxidative Stress

10.26434/chemrxiv.12251171.v1

Posted

May 07, 2020

Attila Tajti, Péter Szalay, Roman V. Kochanov, Vladimir G. Tyuterev

Diagonal Born-Oppenheimer Corrections to the Ground Electronic State Potential Energy Surfaces of Ozone: Improvement of Ab Initio Vibrational Band Centers for the 16O3, 17O3 and 18O3 Isotopologues

10.26434/chemrxiv.12251138.v1

Posted

May 07, 2020

Karun Kumar Rao, Yan Yao, Lars Grabow

Accelerated Modeling of Lithium Diffusion in Solid State Electrolytes Using Artificial Neural Networks

10.26434/chemrxiv.12250403.v1

Posted

May 07, 2020

Dennis C. Copertino Jr., Bruno Lima, Rodrigo Duarte, Timothy Wilkin, Roy Gulick, Miguel de Mulder Rougvie, Douglas Nixon

Antiretroviral Drug Activity and Potential for Pre-Exposure Prophylaxis Against COVID-19 and HIV Infection

10.26434/chemrxiv.12250199.v1

Posted

May 07, 2020

Receptor Determinant Analogues for All 9-O-Ac-Sialoglycan-Recognizing Corona Viruses

Pratibha Preeti Maurya

10.26434/chemrxiv.12241634.v1

Posted

May 07, 2020

Sourav Das, Atanu Singha Roy

Naturally Occurring Anthraquinones as Potential Inhibitors of SARS-CoV-2 Main Protease: A Molecular Docking Study

10.26434/chemrxiv.12245270.v1

Posted

May 07, 2020

David G. Weissbrodt, George F. Wells, Michele Laureni, shelesh Agrawal, Ramesh Goel, Giancarlo Russo, Yujie Men, David Johnson, Magnus Christensson, Susanne Lackner, Adriano Joss, Jeppe Lund Nielsen, Helmut Bürgmann, Eberhard Morgenroth

Systems Microbiology and Engineering of Aerobic-Anaerobic Ammonium Oxidation

10.26434/chemrxiv.12243077.v1

Posted

May 07, 2020

Bryan Voigt, William Moore, Moumita Maiti, Jeff Walter, Bhaskar Das, Michael Manno, Chris Leighton, Eray Aydil

Observation of an Internal p-n Junction in Pyrite FeS2 Single Crystals: Origin of the Low Open Circuit Voltage in Pyrite Solar Cells

10.26434/chemrxiv.12241748.v1

Posted

May 07, 2020

Kousuke Ebisawa, Kana Izumi, Yuka Ooka, Hiroaki Kato, Sayori Kanazawa, Sayura Komatsu, Eriko Nishi, Hiroki Shigehisa

Catalyst- and Silane- Controlled Enantioselective Hydrofunctionalization of Alkenes by Cobalt-Catalyzed Hydrogen Atom Transfer and Radical-Polar Crossover

10.26434/chemrxiv.9981395.v2

Posted

May 07, 2020

María Camarasa-Gómez, Daniel Hernangómez-Pérez, Michael S. Inkpen, Giacomo Lovat, E-Dean Fung, Xavier Roy, Latha Venkataraman, Ferdinand Evers

Mechanically-Tunable Quantum Interference in Ferrocene-Based Single-Molecule Junctions

10.26434/chemrxiv.12252059.v1

Posted

May 07, 2020

Lewis Mervin, Avid M. Afzal, Ola Engkvist, Andreas Bender

A Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Ligand-Target Predictions

10.26434/chemrxiv.11526132.v2

Posted

May 07, 2020

Bruno J. Neves, José T. Moreira-Filho, Arthur C. Silva, Joyce V. V. B. Borba, Melina Mottin, Vinicius Alves, Rodolpho C. Braga, Eugene Muratov, Carolina Andrade

Automated Framework for Developing Predictive Machine Learning Models for Data-Driven Drug Discovery

10.26434/chemrxiv.12250046.v1

Posted

May 07, 2020

Karen Sargsyan, Chien-Chu Lin, Ting Chen, Cédric Grauffel, Yi-Ping Chen, Wei-Zeng Yang, Hanna S. Yuan, Carmay Lim

Multi-Targeting of Functional Cysteines in Multiple Conserved SARS-CoV-2 Domains by Clinically Safe Zn-ejectors

10.26434/chemrxiv.12179037.v2

Posted

May 07, 2020

Ian Mallov, Fiona Jeeva, Chris Caputo

A Dual Sensor for Biogenic Amines and Oxygen Based on Genipin Immobilized in Edible Calcium Alginate Gel Beads

10.26434/chemrxiv.12252323.v1

Posted

May 07, 2020

Protonation, Tautomerism, and Base Pairing of the Antiviral Favipiravir (T-705)

Gabriel da Silva

10.26434/chemrxiv.12229122.v2

Posted

May 07, 2020

English Language Teaching – Resources for Teachers

Investigating the Vocabulary Load of Psychology Textbooks: A Corpus-Based Study

Ismail Xodabande

Posted

May 07, 2020

10.33774/coe-2020-jfvvd

Seyed Mohamad Moosavi, Aditya Nandy, Kevin Maik Jablonka, Daniele Ongari, Jon Paul Janet, Peter G. Boyd, Yongjin Lee, Berend Smit, Heather Kulik

Understanding the Diversity of the Metal-Organic Framework Ecosystem

10.26434/chemrxiv.12251186.v1

Posted

May 07, 2020

Charles D. Griego, Lingyan Zhao, Karthikeyan Saravanan, John Keith

Machine Learning Models Correct Systematic Errors in Alchemical Perturbation Density Functional Theory Applications to Catalysis

10.26434/chemrxiv.12251462.v1

Posted

May 07, 2020

Yachu Du, Hope Lovell, Frédéric Lirette, Jean-François Morin, Kyle Plunkett

Electron Acceptors Based on Cyclopentannulated Anthanthrenes

10.26434/chemrxiv.12252224.v1

Posted

May 07, 2020

Avijit Sardar, Aritraa Lahiri, Amirul Islam Mallick, Pradip Kumar Tarafdar

Mycobacterium Survival Strategy Translated to Develop a Lipo-Peptide Based Fusion Inhibitor

10.26434/chemrxiv.12249737.v1

Posted

May 07, 2020

Sunil Rajput, Mark McDermott

Illuminating the Surface Corona of Biogenic Silver Nanoparticles

10.26434/chemrxiv.12249836.v1

Posted

May 07, 2020

Theory of the Gestapo

Aaron Zack

Posted

May 07, 2020

10.33774/apsa-2020-75z1n

Matthias Golomb, Joaquín Calbo, Jessica K. Bristow, Aron Walsh

Ligand Engineering in Cu(II) Paddle Wheel Metal-Organic Frameworks for Enhanced Electrical Conductivity

10.26434/chemrxiv.12213275.v1

Posted

May 07, 2020

Stanislav Avdoshenko, Rajyavardhan Ray

Insights in Magnetodynamics from a Simple Two-Level Model

10.26434/chemrxiv.12246194.v1

Posted

May 07, 2020

Nereida Hidalgo, Juan Jose Moreno, Marina Pérez-Jiménez, Celia Maya, Joaquin López-Serrano, Jesus Campos

Tuning Activity and Selectivity During Alkyne Activation by Gold(I)/Platinum(0) Frustrated Lewis Pairs

10.26434/chemrxiv.11908503.v2

Posted

May 08, 2020

Chaturi M. Senanayake, Harsha Hapugaswatta, Gangi Samarawickrama, Nimanthi Jayathilaka, Kapila Seneviratne

Effect of Chain Length and Saturation of the Fatty Acids in Dietary Triglycerides on Lipid Metabolism in Wistar Rats

10.26434/chemrxiv.12251519.v1

Posted

May 08, 2020

Rebecca Tanzer-Gruener, Jiayu Li, s. rose eilenberg, Allen Robinson, Albert Presto

Impacts of Modifiable Factors on Ambient Air Pollution: A Case Study of COVID-19 Shutdowns

10.26434/chemrxiv.12237182.v1

Posted

May 08, 2020

Yang Bai, Keita Nakagawa, Alexander Cowan, Catherine Aitchison, Yuichi Yamaguchi, Martijn Zwijnenburg, Akihiko Kudo, Seb Sprick, Andrew I. Cooper

Photocatalyst Z-Scheme System Composed of a Linear Conjugated Polymer and BiVO4 for Overall Water Splitting Under Visible Light

10.26434/chemrxiv.12252317.v1

Posted

May 08, 2020

Richard May, Yumin Zhang, Steven R. Denny, Venkatasubramanian Viswanathan, Lauren Marbella

Leveraging Cation Identity to Engineer Solid Electrolyte Interphases for Rechargeable Lithium Metal Anodes

10.26434/chemrxiv.12250007.v2

Posted

May 08, 2020

Weihong Lai, Heng Wang, Quan jiang, Zichao Yan, Hanwen Liu, Yaojie Lei, Lingfei Zhao, Wang Zhang, Lei Wang, Hirofumi Yoshikawa, Daiju Matsumura, Yunxiao Wang, Qiao sun, Jiazhao Wang, Huakun Liu, Shulei Chou, Shixue Dou

Tunable Carbon Surface from Mono- to Multi-Metallic Single Atoms

10.26434/chemrxiv.12264083.v1

Posted

May 08, 2020

Brady Garabato, Federico Falchi, Andrea Cavalli

COVID-19 Repurposed Therapeutics Targeting the Viral Protease and Spike-protein:ACE2 Interface using MD-based Pharmacophore and Consensus Virtual Screening

10.26434/chemrxiv.12264503.v1

Posted

May 08, 2020

Ben A Johnson, Sascha Ott

Diagnosing Surface Versus Bulk Reactivity for Molecular Catalysis Within Metal-Organic Frameworks Using a Quantitative Kinetic Model

10.26434/chemrxiv.12264110.v1

Posted

May 08, 2020

Paul Clabaut, Ruben Staub, Joachim Galiana, Elise Antonetti, Stephan Steinmann

Water Adlayers on Noble Metal Surfaces: Insights from Energy Decomposition Analysis

10.26434/chemrxiv.12263117.v1

Posted

May 08, 2020

Shiny Joseph Srinivasan, Sarah Cleary, Caroline Paul, Miguel A. Ramirez, Kylie Vincent

E. coli Nickel-Iron Hydrogenase 1 Catalyses Non-native Reduction of Flavins: Demonstration for Alkene Hydrogenation by Old Yellow Enzyme

10.26434/chemrxiv.12213398.v2

Posted

May 08, 2020

Mark Platt, Eugenie Hunsicker, Marcus Pollard

A Tunable 3D Printed Microfluidic Resistive Pulse Sensor for the Characterisation of Algae and Microplastics

10.26434/chemrxiv.12249833.v1

Posted

May 08, 2020

Arseniy A. Otlyotov, Georgiy V. Girichev, Anatolii N. Rykov, Timo Glodde, Yury Vishnevskiy

Molecular Structure of Pyrazinamide: a Critical Assessment of Modern Gas Electron Diffraction Data from Three Laboratories

10.26434/chemrxiv.12254393.v1

Posted

May 08, 2020

Julian Geiger, Michiel Sprik, Matthias May

Band Positions of Anatase (001) and (101) Surfaces in Contact with Water from Density Functional Theory

10.26434/chemrxiv.12263837.v1

Posted

May 08, 2020

M. Sabry Abdel-Mottaleb, Yousra Abdel-Mottaleb

In Search for Effective and Safe Drugs Against SARS-CoV-2: Part III] the Electronic Factors of Remdesivir and the Naturally Extracted Aspirochlorine Drugs

10.26434/chemrxiv.12268730.v1

Posted

May 08, 2020

Kiel Williams, Lucas K. Wagner, Claudio Cazorla, Tim Gould

Combining Density Functional Theories to Correctly Describe the Energy, Lattice Structure and Electronic Density of Functional Oxide Perovskites

10.26434/chemrxiv.12268991.v1

Posted

May 08, 2020

Learning Machine Reasoning for Bioactivity Prediction of Chemicals

Suman Chakravarti

10.26434/chemrxiv.12269480.v1

Posted

May 08, 2020

Erin Sullivan, Steven Saric, Daniel Neumark

Photodissociation of Iso-Propoxy (I-C3H7O) Radical at 248 Nm

10.26434/chemrxiv.12268517.v1

Posted

May 08, 2020

Minjia Hu, Erik Luber, Jillian Buriak

Reconsidering XPS Quantification of Substitution Levels of Monolayers on Unoxidized Silicon Surfaces

10.26434/chemrxiv.12268325.v1

Posted

May 08, 2020

Katherine Marczenko, Samantha Jee, Saurabh Chitnis

Bi Is the New B: High Lewis acidity at a planar, trivalent, neutral, electropositive p-block element

10.26434/chemrxiv.12268622.v1

Posted

May 08, 2020

Punyaslok Pattnaik, Shampa Raghunathan, Tarun Kalluri, Prabhakar Bhimalapuram, C. V. Jawahar, U. Deva Priyakumar

Machine Learning for Accurate Force Calculations in Molecular Dynamics Simulations

10.26434/chemrxiv.12271289.v1

Posted

May 08, 2020

Economics

Version undefined posted 10 May 2020

Systems of Innovation and Economic Theory

Mario Scerri

Posted

May 10, 2020

10.33774/coe-2020-6w1b8

Esben Jannik Bjerrum, Amol Thakkar, Ola Engkvist

Artificial Applicability Labels for Improving Policies in Retrosynthesis Prediction

10.26434/chemrxiv.12249458.v1

Posted

May 11, 2020

Designing of Cytotoxic and Helper T Cell Epitope Map Provides Insights into the Highly Contagious Nature of the Pandemic Novel Coronavirus SARS-CoV2

Dr. Seema Mishra

10.26434/chemrxiv.12253463.v1

Posted

May 11, 2020

Polla Rouf, Pitsiri Sukkaew, Lars Ojamäe, Henrik Pedersen

Reduction of carbon impurities in aluminium nitride from time-resolved chemical vapour deposition using trimethylaluminum

10.26434/chemrxiv.11910735.v2

Posted

May 11, 2020

Tao Wei, Malte Kohring, Heiko B. Weber, Frank Hauke, Andreas Hirsch

Molecular Embroidering of Graphene

10.26434/chemrxiv.12271847.v1

Posted

May 11, 2020

Yuki Hosono, Jumpei Morimoto, Chad Townsend, Colin N. Kelly, Matthew R. Naylor, Hsiau-Wei Lee, R. Scott Lokey, Shinsuke Sando

Amide-to-Ester Substitution Improves Membrane Permeability of a Cyclic Peptide Without Altering Its Three-Dimensional Structure

10.26434/chemrxiv.12272861.v1

Posted

May 11, 2020

Yongliang Zhong, quanyou feng, xiaoqian wang, jia chen, wenjun cai, Rong Tong

Functionalized Polyesters via Stereoselective Electrochemical Ring-Opening Polymerization of O-Carboxyanhydrides

10.26434/chemrxiv.12253052.v1

Posted

May 11, 2020

Vincent K. Duong, Alexandra M. Horan, Eoghan McGarrigle

Synthesis of Pyridylsulfonium Salts and their Application in Transition Metal-Free Formation of Functionalized Bipyridines

10.26434/chemrxiv.12252041.v1

Posted

May 11, 2020

Yuanyuan Jiang, Lanxin Liu, Morenci Manning, Madison Bonahoom, Aaron Lotvola, Zeng-Quan Yang

Repurposing Therapeutics to Identify Novel Inhibitors Targeting 2'-O-Ribose Methyltransferase Nsp16 of SARS-CoV-2

10.26434/chemrxiv.12252965.v1

Posted

May 11, 2020

Maria Villou, Julieta Paez, Aránzazu del Campo

Photodegradable Tissue-Adhesive Hydrogels

10.26434/chemrxiv.12271874.v1

Posted

May 11, 2020

Takeru Takagi, Tasuku Ueno, Keisuke Ikawa, Daisuke Asanuma, Yusuke Nomura, Shin-nosuke Uno, Toru Komatsu, Mako Kamiya, Kenjiro Hanaoka, Chika Okimura, Yoshiaki Iwadate, Kenzo Hirose, Tetsuo Nagano, Kaoru Sugimura, Yasuteru Urano

Visualization and Manipulation of Actin Cytoskeleton with Small-Molecular Probes

10.26434/chemrxiv.12272024.v1

Posted

May 11, 2020

Alberto Alvarez Fernandez, Barry Reid, Jugal Suthar, Swan Choy, Maximiliano Jesus Jara Fornerod, Niamh Mac Fhionnlaoich, Lixu Yang, Benjamin Schmidt-Hansberg, Stefan Guldin

Fractionation of Block Copolymers for Pore Size Control and Reduced Dispersity in Mesoporous Inorganic Thin Films

10.26434/chemrxiv.12275636.v1

Posted

May 11, 2020

Joel D. Smith, George Durrant, Daniel Ess, Warren Piers

H/D Exchange Under Mild Conditions in Arenes and Unactivated Alkanes with C6D6 and D2O Using Rigid, Electron-rich Iridium PCP Pincer Complexes

10.26434/chemrxiv.12276632.v1

Posted

May 11, 2020

Julia Vecchietti, Pablo Lustemberg, Esteban L. Fornero, Monica Calatayud, Sebastián E. Collins, Susanne Mohr, M. V. Ganduglia-Pirovano, Joerg Libuda, Adrian L. Bonivardi

Controlled Selectivity for Ethanol Steam Reforming Reaction over Doped CeO2 Surfaces: The Role of Gallium

10.26434/chemrxiv.12272192.v1

Posted

May 11, 2020

Shuping Liu, Alexandre Fossati, Diana Serrano, Alexandre Tallaire, Alban Ferrier, Philippe Goldner

Defect Engineering for Quantum Grade Rare-Earth Nanocrystals

10.26434/chemrxiv.12273035.v1

Posted

May 12, 2020

Douglas Barlow, Jan Gregus

Size Evolution and Composition of the Intermediate Phase During Nonclassical Protein Crystal Growth from Solution

10.26434/chemrxiv.12264077.v1

Posted

May 12, 2020

Micaela Matta, Ruiheng Wu, Bryan D. Paulsen, Anthony Petty, Rajendar Sheelamanthula, Iain McCulloch, George C Schatz, Jonathan Rivnay

Ion Coordination and Chelation in a Glycolated Polymer Semiconductor: Molecular Dynamics and X-Ray Fluorescence Study

10.26434/chemrxiv.12264308.v2

Posted

May 12, 2020

Michael Landreh, Cagla Sahin, Joseph Gault, Samira Sadeghi, Chester Lee Drum, povilas uzdavinys, David Drew, Timothy Allison, Matteo Degiacomi, Erik Marklund

Predicting the Shapes of Protein Complexes Through Collision Cross Section Measurements and Database Searches

10.26434/chemrxiv.12275057.v1

Posted

May 12, 2020

Benjamin Jagger, Anupam Anand Ojha, Rommie Amaro

Predicting Ligand Binding Kinetics Using a Markovian Milestoning with Voronoi Tessellations Multiscale Approach

10.26434/chemrxiv.12275165.v1

Posted

May 12, 2020

Marc Riera, Justin J. Talbot, Ryan P. Steele, Paesani Lab

Infrared Signatures of Isomer Selectivity and Symmetry Breaking in the Cs+(H2O)3 Complex Using Many-Body Potential Energy Functions

10.26434/chemrxiv.12275372.v1

Posted

May 12, 2020

Mihaela Mirela Bratu, Semaghiul Birghila, Antoanela Popescu, Bogdan Stefan Negreanu- Pirjol, Marius Radu

Influence of Packaging Material on Polyphenol Content and Antioxidant Activity in Some Commercial Beers

10.26434/chemrxiv.12245549.v1

Posted

May 12, 2020

Alexander M. Andrianov, Yuri V. Kornoushenko, Anna D. Karpenko, Ivan P. Bosko, Alexander Tuzikov

Computational Discovery of Small Drug-like Compounds as Potential Inhibitors of SARS-CoV-2 Main Protease

10.26434/chemrxiv.12275390.v1

Posted

May 12, 2020

Zeyu Yang, Orestis Bastas, Mikhail Demtchenko, Aurimas Pabrinkis, Cooper Stergis Jamieson, Danius Bačkis, Charles Dazler Knuff, Žygimantas Jočys, Roy Tal

Ro5 Bioactivity Lab: Identification of Drug Candidates for COVID-19

10.26434/chemrxiv.12275741.v1

Posted

May 12, 2020

NADJIBA ZEGHEB, LANEZ Elhafnaoui, Touhami Lanez

N-ferrocenylmethyl-Derivatives As Spike Glycoprotein Inhibitors Of SARS-CoV-2 Using In Silico Approaches

10.26434/chemrxiv.12278078.v1

Posted

May 12, 2020

ORF10: Molecular Insights into the Contagious Nature of Pandemic Novel Coronavirus 2019-nCoV

Dr. Seema Mishra

10.26434/chemrxiv.12118839.v3

Posted

May 12, 2020

Marvin Grüne, Robert Luxenhofer, Dinu Iuga, Steven P. Brown, Ann-Christin Pöppler

14N1H HMQC Solid-State NMR as a Powerful Tool to Study Amorphous Formulations – an Exemplary Study of Paclitaxel Loaded Polymer Micelles

10.26434/chemrxiv.12278354.v1

Posted

May 12, 2020

Ayaz Hassan, Lucyano Macedo, Frank Crespilho

Electrochemical-Coupled Vibrational Spectromicroscopy Recognize Conductive Islands in Topological Redox Surface

10.26434/chemrxiv.12278300.v1

Posted

May 12, 2020

Michael Sachs, Hyojung Cha, Jan Kosco, Catherine M. Aitchison, Laia Francàs, Sacha Corby, Chao-Lung Chiang, Anna A. Wilson, Robert Godin, Alexander Fahey-Williams, Andrew I. Cooper, Seb Sprick, Iain McCulloch, James R Durrant

Tracking Charge Transfer to Residual Metal Clusters in Conjugated Polymers for Photocatalytic Hydrogen Evolution

10.26434/chemrxiv.12273122.v1

Posted

May 12, 2020

Jess Wade, James Hilfiker, Jochen R. Brandt, Letizia Liirò-Peluso, Li Wan, Xingyuan Shi, Francesco Salerno, Seán Ryan, Stefan Schöche, Oriol Arteaga, Tamás Jávorfi, Giuliano Siligardi, Cheng Wang, David B. Amabilino, Peter Beton, Alasdair Campbell, Matthew Fuchter

A Unified Model to Explain the Large Chiroptical Effects in Polymer Systems Through Natural Optical Activity

10.26434/chemrxiv.12277889.v1

Posted

May 12, 2020

Dr. Chirag N. Patel, Dr. Prasanth Kumar S., Dr. Himanshu A. Pandya, Dr. Rakesh M. Rawal

Identification of Potential Binders of the SARS-Cov-2 Spike Protein via Molecular Docking, Dynamics Simulation and Binding Free Energy Calculation

10.26434/chemrxiv.12278588.v1

Posted

May 12, 2020

Egle Maximowitsch, Tatiana Domratcheva

A Hydrogen Bond Between Linear Tetrapyrrole and Conserved Aspartate Causes the Far-Red Shifted Absorption of Phytochrome Photoreceptors

10.26434/chemrxiv.12278780.v1

Posted

May 12, 2020

Victor Kwan, Styliani Consta

Effect of Droplet Size and Counterions on the Spatial Distribution of Ions

10.26434/chemrxiv.10049846.v5

Posted

May 12, 2020

Dehang Yin, Dengquan Su, Jian Jin

Photoredox Catalytic Trifluoromethylation and Perfluoroalkylation of (Hetero)arenes Using Trifluoroacetic and Related Carboxylic Acids

10.26434/chemrxiv.11973648.v2

Posted

May 12, 2020

Eric Boittier, Jed Burns, Neha Gandhi, Vito Ferro

GlycoTorch Vina: Improved Docking of Sulfated Sugars Using QM-derived Scoring Functions

10.26434/chemrxiv.12279251.v1

Posted

May 12, 2020

Emanuel Pfitzner, Joachim Heberle

Infrared Scattering-Type Scanning Near-Field Optical Microscopy in Water

10.26434/chemrxiv.12279551.v1

Posted

May 12, 2020

YUBING HU, Lucile Barbier, Zhao Li, Xiaofan Ji, Heiva Le Blay, Junkai Liu, Jacky W. Y. Lam, Alba Marcellan, Ben Zhong Tang

Making Hydrogels Stronger through Hydrophilicity-Hydrophobicity Transformation, Thermoresponsive Morphomechanics and Crack Multifurcation

10.26434/chemrxiv.12279686.v1

Posted

May 12, 2020

Solomiia Borova, Philipp Stahlhut, Victor Tokarev, Robert Luxenhofer

Crosslinking of Hydrophilic Polymers Using Polyperoxides

10.26434/chemrxiv.12279752.v1

Posted

May 12, 2020

Chen Hu, Lukas Hahn, Mengshi Yang, Alexander Altmann, Philipp Stahlhut, Jürgen Groll, Robert Luxenhofer

Improving Printability of a Thermoresponsive Hydrogel Biomaterial Ink by Nanoclay Addition

10.26434/chemrxiv.12279833.v1

Posted

May 12, 2020

Sander Brugman, Paolo Raiteri, Paolo Accordini, Frank Megens, Julian Gale, Elias Vlieg

The Calcite (104) Surface - Electrolyte Structure: A 3D Comparison of Surface X-Ray Diffraction and Simulations

10.26434/chemrxiv.12279911.v1

Posted

May 12, 2020

Qing Zhou, Hong Yang, Xinghua Chen, Yuan Xu, Dan Han, Sisi Zhou, Songqin Liu, Yanfei Shen, Yuanjian Zhang

Endowing Nanozymes High Biocatalytic Selectivity by Substrates Channeling and Screening

10.26434/chemrxiv.12279947.v1

Posted

May 12, 2020

Andrew Simonson, Agustey Mongia, Matthew R. Aronson, John N. Alumasa, Dennis Chan, Adam Bolotsky, Aida Ebrahimi, Elizabeth A. Proctor, Kenneth C. Keiler, Scott Medina

Pathogen-Specific De Novo Antimicrobials Engineered Through Membrane Porin Biomimicry

10.26434/chemrxiv.12267992.v1

Posted

May 12, 2020

Psychiatry

Jacob Meyer, Cillian McDowell, Jeni Lansing, Cassandra Brower, Lee Smith, Mark Tully, Matthew Herring

Changes in physical activity and sedentary behaviour due to the COVID-19 outbreak and associations with mental health in 3,052 US adults

Posted

May 12, 2020

10.33774/coe-2020-h0b8g

Economics

Stakeholder Equity

Kok Choy LOH

10.33774/coe-2020-3q700-v2

Posted

May 12, 2020

naveen narayanan, deepak t nair

Ritonavir May Inhibit Exoribonuclease Activity of Nsp14 from the SARS-CoV-2 Virus and Potentiate the Activity of Chain Terminating Drugs

10.26434/chemrxiv.12280043.v1

Posted

May 13, 2020

Brian Olson, Anthony Cruz, Lieyang Chen, Mossa Ghattas, Yeonji Ji, Kunhui Huang, Daniel J. McKay, Tom Kurtzman

An Online Repository of Solvation Thermodynamic and Structural Maps of SARS-CoV-2 Targets

10.26434/chemrxiv.12275705.v1

Posted

May 13, 2020

Uma Shankar, Neha Jain, Prativa Majee, Subodh Kumar Mishra, Brijesh Rathi, Amit Kumar

Potential Drugs Targeting Nsp16 Protein May Corroborates a Promising Approach to Combat SARSCoV-2 Virus

10.26434/chemrxiv.12279671.v1

Posted

May 13, 2020

Andrés F. Molina-Osorio, José A. Manzanares, Alonso Gamero-Quijano, Micheal D. Scanlon

Reversible Electrochemical Ion Intercalation at an Electrified Liquid|liquid Interface Functionalised with Porphyrin Nanostructures

10.26434/chemrxiv.12276464.v1

Posted

May 13, 2020

Clément Dulong, Bruno Madebène, Susanna Monti, Johannes Richardi

Optimization of a New Reactive Force Field for Silver - Based Materials

10.26434/chemrxiv.12280289.v1

Posted

May 13, 2020

Xiangtang Li, ruichuan yin, hang hu, Yingju Li, Xiaofei Sun, Sudhansu Dey, Julia Laskin

An Integrated Microfluidic Probe for Mass Spectrometry Imaging of Biological Samples

10.26434/chemrxiv.12275507.v1

Posted

May 13, 2020

Artur Schweidtmann, Jan Rittig, Andrea König, Martin Grohe, Alexander Mitsos, Manuel Dahmen

Graph Neural Networks for Prediction of Fuel Ignition Quality

10.26434/chemrxiv.12280325.v1

Posted

May 13, 2020

Poonam Dhankhar, vikram dalal, Vishakha Singh, Shailly Tomar, pravindra kumar

Computational Guided Identification of Novel Potent Inhibitors of NTD-N-Protein of SARS-CoV-2

10.26434/chemrxiv.12280532.v1

Posted

May 13, 2020

Tripartite combination of potential pandemic mitigation agents: Vitamin D, Quercetin, and Estradiol manifest properties of candidate medicinal agents for mitigation of the severity of pandemic COVID-19 defined by genomics-guided tracing of SARS-CoV-2 targets in human cells.

Gennadi Glinsky

10.26434/chemrxiv.12052512.v11

Posted

May 13, 2020

Louis Redfern, Maxime Ducamp, Megan C. Wasson, Lee Robison, Florencia Son, François-Xavier Coudert, Omar Farha

Isolating the Role of the Node-Linker Bond in the Compression of UiO-66 Metal-Organic Frameworks

10.26434/chemrxiv.12283742.v1

Posted

May 13, 2020

Katarzyna Swiderek, Vicent Moliner

Revealing the Molecular Mechanisms of Proteolysis of SARS-CoV-2 Mpro from QM/MM Computational Methods.

10.26434/chemrxiv.12283967.v1

Posted

May 13, 2020

Ting-Wei Hsu, Cheoljae Kim, Quentin Michaudel

Stereoretentive Ring-Opening Metathesis Polymerization to Access All-cis Poly(p-phenylene vinylene)s with Living Characteristics

10.26434/chemrxiv.12284228.v1

Posted

May 13, 2020

Xin Yi See, Benjamin Reiner, Xuelan Wen, T. Alexander Wheeler, Channing Klein, Jason Goodpaster, Ian Tonks

Iterative Supervised Principal Component Analysis-Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis

10.26434/chemrxiv.12284378.v1

Posted

May 13, 2020

Pranesh Padmanabhan, Rajat Desikan, Narendra Dixit

Targeting TMPRSS2 and Cathepsin B/L Together May Be Synergistic Against SARS-CoV-2 Infection

10.26434/chemrxiv.12213125.v2

Posted

May 13, 2020

Herbert Dias, Matheus Rodrigues, Antônio Eduardo Crotti

Optimization of the Reaction Conditions for the Synthesis of Dihydrobenzofuran Neolignans

10.26434/chemrxiv.12286376.v1

Posted

May 13, 2020

van der Waals Potential: An Important Complement to Molecular Electrostatic Potential in Studying Intermolecular Interactions

Tian Lu, Qinxue Chen

10.26434/chemrxiv.12148572.v2

Posted

May 13, 2020

Hao-Fen Xie, Ya-Shuai Kong, Ru-Ze Li, Louis-Felix Nothias, Alexey V. Melnik, Hong Zhang, Lu-Lu Liu, Ting-Ting An, Rui Liu, Zi Yang, Jia-Ping Ke, Peng Zhang, Guan-Hu Bao, Zhong-Wen Xie, Da-Xiang Li, Xiaochun Wan, Qian-Ying Dai, Liang Zhang, Ming Zhao, Mao-Qiang An, Yan-Hua Long, Tie-Jun Ling

Feature-Based Molecular Networking Analysis of the Metabolites Produced by in vitro Solid-State Fermentation Reveals Pathways for the Bioconversion of Epigallocatechin Gallate

10.26434/chemrxiv.12124206.v4

Posted

May 13, 2020

Suman Duhan, Kedar Sahoo, Sudhir Kumar Singh, Manoj Kumar

Development of Ultrasensitive and Arsenic (III) Selective Upconverting (NaYF4: Yb3+, Er3+) Platform

10.26434/chemrxiv.12286775.v1

Posted

May 13, 2020

Aidan Kerckhoffs, Matthew Langton

Reversible Photo-Control over Transmembrane Anion Transport Using Visible-Light Responsive Supramolecular Carriers

10.26434/chemrxiv.12287057.v1

Posted

May 13, 2020

Yi Shi, Wenmao Huang, Jian Li, Yue Zhou, Zhongqiu Li, Yunchao Yin, Xinghua Xia

Site-Specific Electrodeposition Enables Self-Terminating Growth of Atomically Dispersed Metal Catalysts

10.26434/chemrxiv.12287879.v1

Posted

May 13, 2020

Michael Hope, Bowen Zhang, Bonan Zhu, David M. Halat, Judith L. MacManus-Driscoll, Clare P. Grey

Probing Interfaces in Complex Oxide Heterostructures via 17O Solid State NMR Spectroscopy

10.26434/chemrxiv.12288332.v1

Posted

May 13, 2020

Andrew J. Farrell, Mario González Jiménez, Gopakumar Ramakrishnan, Klaas Wynne

Low-frequency (gigahertz to terahertz) depolarized Raman scattering off n-alkanes, cycloalkanes, and six-membered rings: a physical interpretation

10.26434/chemrxiv.12205571.v1

Posted

May 13, 2020

Spencer Wallentine, Savini Bandaranayake, Somnath Biswas, L. Robert Baker

Momentum Relaxed, Plasmon-Resonant Vibrational Sum Frequency Generation of Electrochemical Interfaces: Direct Observation of Carbon Dioxide Electroreduction on Gold

10.26434/chemrxiv.12289004.v1

Posted

May 13, 2020

Comparison of Umbrella Sampling and Steered Molecular Dynamics Methods for Computing Free Energy Profiles of Aromatic Substrates through Phospholipid Bilayers

Sang Noh, Rebecca Notman

10.26434/chemrxiv.9897710.v3

Posted

May 13, 2020

Elizabeth Neumann, Lukasz Migas, Jamie L. Allen, Richard Caprioli, Raf Van de Plas, Jeffrey Spraggins

Spatial Metabolomics of the Human Kidney Using MALDI Trapped Ion Mobility Imaging Mass Spectrometry

10.26434/chemrxiv.12118644.v2

Posted

May 13, 2020

Abhik Kumar Ray, Parth Sarthi Sen Gupta, Saroj Kumar Panda, Satyaranjan Biswal, Malay Kumar Rana

Repurposing of FDA Approved Drugs for the Identification of Potential Inhibitors of SARS-CoV-2 Main Protease

10.26434/chemrxiv.12278066.v2

Posted

May 14, 2020

Santiago Codesido, Nicolas Drouin, Sabrina Ferre, Julie Schappler, Serge Rudaz, Víctor González-Ruiz

A Mature ROMANCE: A Matter of Quantity and How Two Can Be Better than One

10.26434/chemrxiv.12287048.v1

Posted

May 14, 2020

Markus Millinger, Philip Tafarte, Matthias Jordan, Alena Hahn, Kathleen Meisel, Daniela Thrän

Electrofuels from Excess Renewable Electricity at High Variable Renewable Shares: Cost, Greenhouse Gas Abatement, Carbon Use and Competition

10.26434/chemrxiv.12287504.v1

Posted

May 14, 2020

Herbert Dias, Eduardo Crevelin, Vinicius Palaretti, Ricardo Vessecchi, Antônio Eduardo Crotti

Should We Think Positive or Negative About Dihydrobenzofuran Neolignans? an ESI-MS/MS Study

10.26434/chemrxiv.12287786.v1

Posted

May 14, 2020

Paul Dauenhauer, Vineet Maliekkal, Matthew Neurock

Glycosidic C-O Bond Activation in Cellulose Pyrolysis: Alpha Versus Beta and Condensed Phase Hydroxyl-Catalytic Scission

10.26434/chemrxiv.12290588.v1

Posted

May 14, 2020

Yukun Cheng, Channing Klein, Ian Tonks

Synthesis of Pentasubstituted 2-Aryl Pyrroles from Boryl and Stannyl Alkynes via One-Pot Sequential Ti-Catalyzed [2+2+1] Pyrrole Synthesis/Cross Coupling Reactions

10.26434/chemrxiv.12284330.v1

Posted

May 14, 2020

Evan Beaumier, Amy Ott, Xuelan Wen, Zachary Davis-Gilbert, T. Alexander Wheeler, Joseph Topczewski, Jason Goodpaster, Ian Tonks

Ti-Catalyzed Ring-Opening Oxidative Amination of Methylenecyclopropanes with Diazenes

10.26434/chemrxiv.12284333.v1

Posted

May 14, 2020

Florent Figon, Jérôme Casas, Ilaria Ciofini, Carlo Adamo

Electronic Couplings in the Reduced State Lie at the Origin of Color Changes of Ommochromes

10.26434/chemrxiv.12294146.v1

Posted

May 14, 2020

Maximilian Scheurer, Thomas Fransson, Patrick Norman, Andreas Dreuw, Dirk R. Rehn

Complex Excited State Polarizabilities in the ADC/ISR Framework

10.26434/chemrxiv.12179289.v2

Posted

May 14, 2020

Tien Huynh, Haoran Wang, Wendy Cornell, Binquan Luan

In Silico Exploration of Repurposing and Optimizing Traditional Chinese Medicine Rutin for Possibly Inhibiting SARS-CoV-2's Main Protease

10.26434/chemrxiv.12281078.v1

Posted

May 14, 2020

Ryosuke Shibukawa, Shoichi Ishida, Kazuki Yoshizoe, Kunihiro Wasa, Kiyosei Takasu, Yasushi Okuno, Kei Terayama, Koji Tsuda

CompRet: A Comprehensive Recommendation Framework for Chemical Synthesis Planning with Algorithmic Enumeration

10.26434/chemrxiv.12295976.v1

Posted

May 14, 2020

lingpeng zhan, xi huang, jinjuan xue, huihui liu, caiqiao xiong, jiyun wang, zongxiu nie

MALDI-TOF/TOF Tandem Mass Spectrometry Imaging Reveals Non-uniform Distribution of Disaccharide Isomers in Plant Tissues

10.26434/chemrxiv.12228383.v2

Posted

May 14, 2020

Sylvestre P. J. T. Bachollet, Cyril Addi, Jean-Maurice Mallet, Blaise Dumat

Fluorogenic Protein Probes with Red or Near-Infrared Emission for Genetically Targeted Live-Cell Imaging

10.26434/chemrxiv.12292865.v1

Posted

May 14, 2020

Vaishali Chandel, Prem Prakash Sharma, Sibin Raj, Brijesh Rathi, Dhruv Kumar

Structure Based Drug Repurposing Through Targeting Nsp9 Replicase and Spike Proteins of SARS-CoV-2

10.26434/chemrxiv.12292514.v1

Posted

May 14, 2020

Jacob Townsend, Cassie Putman Micucci, John H. Hymel, Vasileios Maroulas, Konstantinos Vogiatzis

Representation of Molecular Structures with Persistent Homology Leads to the Discovery of Molecular Groups with Enhanced CO2 Binding

10.26434/chemrxiv.10263293.v2

Posted

May 14, 2020

Tobias Krämer, kevin kavanagh, Trinidad Velasco-Torrijos, Harlei Martin, Tara Somers, Fred Pfeiffer, Ryan Robson, Mathew Dwyer

Scaffold Diversity for Enhanced Activity of Glycosylated Inhibitors of Fungal Adhesion

10.26434/chemrxiv.12295514.v1

Posted

May 14, 2020

Maria de Lourdes Gonzalez-Juarez, Eduado Flores, Marisol Martin-Gonzalez, Iris Nandhakumar, Darren Bradshaw

Electrochemical Deposition and Thermoelectric Characterisation of a Semiconducting 2-D Metal-Organic Framework Thin Film

10.26434/chemrxiv.12295511.v1

Posted

May 14, 2020

Pharmaceutical Targeting the Envelope Protein of SARS-CoV-2: the Screening for Inhibitors in Approved Drugs

Anatoly Chernyshev

10.26434/chemrxiv.12286421.v1

Posted

May 14, 2020

Ali Raza, Arni Sturluson, Cory Simon, Xiaoli Fern

Message Passing Neural Networks for Partial Charge Assignment to Metal-Organic Frameworks

10.26434/chemrxiv.12298487.v1

Posted

May 14, 2020

Philippe Schwaller, Benjamin Hoover, Jean-Louis Reymond, Hendrik Strobelt, Teodoro Laino

Unsupervised Attention-Guided Atom-Mapping

10.26434/chemrxiv.12298559.v1

Posted

May 14, 2020

Screening of Anticancer Drugs as Potential Candidates to Target COVID-19 Disease

Gayatri Gurjar

10.26434/chemrxiv.12277046.v1

Posted

May 14, 2020

Literature

KINBOTE'S HERO'S JOURNEY: Transcendent Path or Dead End? Nabokov's Parody of Campbell's "Monomyth" in PALE FIRE

Mary Ross

Posted

May 14, 2020

10.33774/coe-2020-2bfgm

Mathematics

The Utilization of the Generating Function Technique in the Discovery of Solutions for the Three-Dimensional Navier-Stokes Equation System

Robert Jackson

Posted

May 14, 2020

10.33774/coe-2020-pcgf6

History

THE INTRODUCTION OF RELIGION TO POLITICS AND THE CONSTITUTIONAL FRAMEWORK AND THE AFTERMATH: A CRITICAL OVERVIEW OF THE HISTORY OF PRE AND POST BANGLADESH ERAS

Muhammad Rezaur Rahman

Posted

May 14, 2020

10.33774/coe-2020-c841d

Computer Science

About improving integer multiplication in processors

Alexander Pidodnya

Posted

May 14, 2020

10.33774/coe-2020-5p3vq

Mehvesh Hameed, Seema Panicker, Sallam Hasan Abdallah, Amir A. Khan, Changseok Han, Mohamed Chehimi, Ahmed A. Mohamed

Protein-Coated Aryl Modified Gold Nanoparticles for Cellular Uptake Study by Osteosarcoma Cancer Cells

10.26434/chemrxiv.12296261.v1

Posted

May 15, 2020

Paulo F M de Oliveira, Adam Michalchuk, Ana de Oliveira Guilherme Buzanich, Ralf Bienert, Roberto M. Torresi, Pedro H. C. Camargo, Franziska Emmerling

Expanding the Mechanochemical Toolbox: Combining X-Ray Absorption Spectroscopy and Scattering for in Situ Time-Resolved Monitoring of Gold Nanoparticle Mechanosynthesis

10.26434/chemrxiv.12290756.v1

Posted

May 15, 2020

Simulation of Excitation by Sunlight in Mixed Quantum-Classical Dynamics

Mario Barbatti

10.26434/chemrxiv.12221477.v2

Posted

May 15, 2020

Tim Zuehlsdorff, Hanbo Hong, Liang Shi, Christine Isborn

Nonlinear Spectroscopy in the Condensed Phase: The Role of Duschinsky Rotations and Third Order Cumulant Contributions

10.26434/chemrxiv.12302018.v1

Posted

May 15, 2020

Patrick Holder, Adel M. ElSohly

Reaction Landscape and Bioconjugation Profile of Tyrosinase Generated Quinones

10.26434/chemrxiv.12292544.v1

Posted

May 15, 2020

Adlai Katzenberg, Debdyuti Mukherjee, Peter J. Dudenas, Yoshiyuki Okamoto, Ahmet Kusoglu, Miguel Modestino

Dynamic Emergence of Nanostructure and Transport Properties in Perfluorinated Sulfonic Acid Ionomers

10.26434/chemrxiv.12302693.v1

Posted

May 15, 2020

Vikram V. Shende, Yogan Khatri, Sean A. Newmister, Jacob N. Sanders, Petra Lindovska, Fengan Yu, Tyler J. Doyon, Justin Kim, Mohammad Movassaghi, Kendall N Houk, David H. Sherman

Structure and Function of NzeB, a Versatile C–C and C–N Bond Forming Diketopiperazine Dimerase

10.26434/chemrxiv.12307439.v1

Posted

May 15, 2020

Thomas MacDonald, Ben L. Feringa, William S. Price, Sander J. Wezenberg, Jonathon Beves

Controlled Diffusion of Photoswitchable Receptors by Binding Antielectrostatic Phosphate Oligomers

10.26434/chemrxiv.12298919.v1

Posted

May 15, 2020

Amanda Barnard, George Opletal

Selecting Machine Learning Models for Metallic Nanoparticles

10.26434/chemrxiv.12300032.v1

Posted

May 15, 2020

Abhishek Sen, Dolly Khona, Subhadip Ghatak, Vinoj Gopalakrishnan, Kenneth Cornetta, Sashwati Roy, Savita Khanna, Chandan Sen

Electroceutical Fabric Lowers Zeta Potential and Eradicates Coronavirus Infectivity upon Contact

10.26434/chemrxiv.12307214.v1

Posted

May 15, 2020

Lixin Liu, Zhijia Liu, Haolin Chen, Hong Liu, Qiang Gao, Feng Cong, Guangxia Gao, Yongming Chen

A Translatable Subunit Nanovaccine for COVID-19

10.26434/chemrxiv.12301157.v1

Posted

May 15, 2020

Rituja Patil, Stephen House, Aayush Mantri, Judith C. Yang, James McKone

Direct Observation of Ni–Mo Catalyst Formation via Thermal Reduction of Nickel Molybdate Nanorods

10.26434/chemrxiv.12279116.v2

Posted

May 15, 2020

James A. Clark, Yuhang Yang, Nathanael C. Ramos, Michael C. Dodd, Hugh W. Hillhouse

Selective Oxidation of Pharmaceuticals and Suppression of Perchlorate Formation during Electrolysis of Fresh Human Urine

10.26434/chemrxiv.12127818.v2

Posted

May 15, 2020

Beatriz Robles-Hernández, Michelina Soccio, Iker Castrillo, Giulia Guidotti, Nadia Lotti, Angel Alegria, Daniel E Martínez-Tong

Poly(alkylene 2,5-Furanoate)s Thin Films: Morphology, Crystallinity and Nanomechanical Properties

10.26434/chemrxiv.12309755.v1

Posted

May 15, 2020

Jianfeng Yu, Shengxi Shao, Bin Liu, Zhihao Wang, Yi-Zhou Jiang, Yunqing Li, Feng Chen, Bing Liu

Emergency Antiviral Drug Discovery During a Pandemic - a Case Study on the Application of Natural Compounds to Treat COVID-19

10.26434/chemrxiv.12307592.v1

Posted

May 15, 2020

Arturo Neissen Manzano Martinez, A. Sander Haase, Melissa Assirelli, John van der Schaaf

An Alternative Kinetic Model of the Iodide-Iodate Reaction for Its Use in Micromixing Investigations

10.26434/chemrxiv.12307217.v2

Posted

May 15, 2020

Amino Acid Mutations in the Protein Sequences of Human SARS CoV-2 Indian Isolates Compared to Wuhan-Hu-1 Reference Isolate from China

Kunchur Guruprasad

10.26434/chemrxiv.12300860.v1

Posted

May 15, 2020

Wendt's Blindspot: The limits of the (re)construction of collective identity and why the self-help system cannot be overcome.

Getulio Neto

Posted

May 15, 2020

10.33774/apsa-2020-tbgn9

Law

The Compatibility of State Religion and Constitutional Secularism Coexistence: Bangladesh in Context

Muhammad Rezaur Rahman

Posted

May 15, 2020

10.33774/coe-2020-xw8vv

Carrow Wells, David Drewry, Julie E. Pickett, Alison D. Axtman

SGC-CK2-1: The First Selective Chemical Probe for the Pleiotropic Kinase CK2

10.26434/chemrxiv.12296180.v2

Posted

May 18, 2020

Lagnajit Pattanaik, John Ingraham, Colin Grambow, William H. Green

Generating Transition States of Isomerization Reactions with Deep Learning

10.26434/chemrxiv.12302084.v2

Posted

May 18, 2020

Sohini Chakraborti, Sneha Bheemireddy, Narayanaswamy Srinivasan

Repurposing drugs against main protease of SARS-CoV-2: mechanism based insights supported by available laboratory and clinical data

10.26434/chemrxiv.12057846.v2

Posted

May 18, 2020

Tuan Le, Robin Winter, Frank Noé, Djork-Arné Clevert

Neuraldecipher - Reverse-Engineering ECFP Fingerprints to Their Molecular Structures

10.26434/chemrxiv.12286727.v2

Posted

May 18, 2020

Feifei Jia, Jie Wang, Yanyan Zhang, Qun Luo, Luyu Qi, Yinzhu Hou, Jun Du, Yao Zhao, Fuyi Wang

Optics-Free Visualization of Proteins in Single Cells by Time of Flight-Secondary Ion Mass Spectrometry Coupled with Genetically Encoded Chemical Tags

10.26434/chemrxiv.12046125.v2

Posted

May 18, 2020

Dakota Folmsbee, Geoffrey Hutchison

Assessing Conformer Energies using Electronic Structure and Machine Learning Methods

10.26434/chemrxiv.11920914.v2

Posted

May 18, 2020

Film, Media, Mass Communication

A Biography of the Titanic: Reuse, Rumours and Myths Constant Sinking and Resurrections Through Stories Spectacular

A Singh

Posted

May 18, 2020

10.33774/coe-2020-14mwb

Claudio Cavasotto, Juan Di Filippo

In silico Drug Repurposing for COVID-19: Targeting SARS-CoV-2 Proteins through Docking and Quantum Mechanical Scoring

10.26434/chemrxiv.12110199.v2

Posted

May 18, 2020

Robert Winkler, Ignacio Rosas-Román

Contrast Optimization of Mass Spectrometry Imaging (MSI) Data Visualization by Threshold Intensity Quantization (TrIQ)

10.26434/chemrxiv.12312251.v1

Posted

May 18, 2020

Yashaswi Pathak, Karandeep Singh Juneja, Girish Varma, Masahiro Ehara, U. Deva Priyakumar

Deep Learning Enabled Inorganic Material Generator

10.26434/chemrxiv.12312260.v1

Posted

May 18, 2020

Bryan D. Paulsen, Ruiheng Wu, Christopher Takacs, Hans-Georg Steinrück, Joseph Strzalka, Qingteng Zhang, Michael Toney, Jonathan Rivnay

Time-Resolved Structural Dynamics of Organic Mixed Ionic Electronic Conductors

10.26434/chemrxiv.12312299.v1

Posted

May 18, 2020

Satyam Singh, Avinash Sonawane, Sushabhan Sadhukhan

Plant-Derived Natural Polyphenols as Potential Antiviral Drugs Against SARS-CoV-2 via RNA‐dependent RNA Polymerase (RdRp) Inhibition: An In-Silico Analysis

10.26434/chemrxiv.12312263.v1

Posted

May 18, 2020

David Snelling, Ganesh Shahane, William Shipman, Alexander Balaeff, Mark Pearce, Shahar Keinan

A Quantum-Inspired Approach to De-Novo Drug Design

10.26434/chemrxiv.12229232.v2

Posted

May 18, 2020

Structural Analysis of Experimental Drugs Binding to the COVID-19 Target TMPRSS2

David Huggins

10.26434/chemrxiv.12315449.v1

Posted

May 18, 2020

kegang Liu, xueya wang, Xiaochun Li-Blatter, Marc P. Wolf, Patrick Hunziker

Systematic and Quantitative Structure-Property Relationships of Polymeric Medical Nanomaterials: From Systematic Synthesis and Characterization to Computer Modeling and Nano-Bio Interaction and Toxicity

10.26434/chemrxiv.12311369.v1

Posted

May 18, 2020

Guangfeng Zhou, Lance Stewart, Gabriella Reggiano, Frank DiMaio

Computational Drug Repurposing Studies on SARS-CoV-2 Protein Targets

10.26434/chemrxiv.12315437.v1

Posted

May 18, 2020

Adam Bond, Andrea Testa, Alessio Ciulli

Stereoselective Synthesis of Allele-Specific BET Inhibitors

10.26434/chemrxiv.12317354.v1

Posted

May 18, 2020

Hunter O. Ford, Emily Doyle, Peng He, William C. Boggess, Jennifer Schaefer

Self Discharge of Magnesium-Sulfur Batteries Leads to Active Material Loss and Poor Shelf Life

10.26434/chemrxiv.12317426.v1

Posted

May 18, 2020

Liangyong Mei, Jose M Veleta, thomas Gianetti

Helical Carbenium Ion: A Versatile Organic Photoredox Catalyst in Red-Light-Mediated Reactions

10.26434/chemrxiv.12316154.v1

Posted

May 18, 2020

Shermo: A General Code for Calculating Molecular Thermochemistry Properties

Tian Lu, qinxue chen

10.26434/chemrxiv.12278801.v1

Posted

May 18, 2020

Zheng Cheng, Zhao Dongbo, Jing Ma, Wei Li, Shuhua Li

An On-the-fly Approach to Construct Generalized Energy-Based Fragmentation Machine Learning Force Fields of Complex Systems

10.26434/chemrxiv.12317174.v1

Posted

May 18, 2020

Abhithaj J, Dileep Francis, Sharanya C.S, arun kumar, Sadasivan C, Jayadevi Variyar

Repurposing Simeprevir, Calpain Inhibitor IV and a Cathepsin F Inhibitor Against SARS-CoV-2: A Study Using in Silico Pharmacophore Modeling and Docking Methods

10.26434/chemrxiv.12317213.v1

Posted

May 18, 2020

Rituparno Chowdhury, Venkata Sai Sreyas Adury, Amal Vijay, Reman K. Singh, Arnab Mukherjee

Generate, Repurpose, Validate: A Receptor-Mediated Atom-by-Atom Drug Generation for SARS-Cov-2 Spike Protein and Similarity-Mapped Drug Repurposing for COVID-19 with Rigorous Free Energy Validation Using Well-Tempered Metadynamics

10.26434/chemrxiv.12318311.v1

Posted

May 18, 2020

Wujie Wang, Tzuhsiung Yang, William Harris, Rafael Gomez-Bombarelli

Active Learning and Neural Network Potentials Accelerate Molecular Screening of Ether-based Solvate Ionic Liquids

10.26434/chemrxiv.12317465.v1

Posted

May 18, 2020

Ying Liu, Changhan Lee, Fengyang Li, Janja Trček, Heike Bähre, Rey-Ting Guo, Chun-Chi Chen, Alexey Chernobrovkin, Roman Zubarev, Ute Romling

A Cyclic Di-GMP Network Is Present in Gram-Positive Streptococcus and Gram-Negative Proteus Species

10.26434/chemrxiv.12317480.v1

Posted

May 18, 2020

Ludovic Decultot, Rocco L. Policarpo, Brandon Wright, Danny Huang, Matthew Shair

Asymmetric Total Synthesis of C9’-epi-Sinefungin

10.26434/chemrxiv.12318797.v1

Posted

May 19, 2020

Hui YANG, Christopher Savory, Benjamin Morgan, David Scanlon, Jonathan Skelton, Aron Walsh

Chemical Trends in the Lattice Thermal Conductivity of Li(Ni,Mn,Co)O₂ (NMC) Battery Cathodes

10.26434/chemrxiv.12320033.v1

Posted

May 19, 2020

Nathan Renier, Olivia Reinaud, Ivan Jabin, Hennie Valkenier

Transmembrane Transport of copper(I) by Imidazole-Functionalised Calix[4]arenes

10.26434/chemrxiv.12206144.v3

Posted

May 19, 2020

Law

Corporate Governance and Social Responsibility: The Case of Nepal

Suman Acharya

Posted

May 19, 2020

10.33774/coe-2020-p7sqn

Alisha Khandelwal, Tripti Sharma

Computational Screening of Phytochemicals from Medicinal plants as COVID-19 Inhibitors

10.26434/chemrxiv.12320273.v1

Posted

May 19, 2020

Alan O'Riordan, Ian Seymour, Aidan Murphy, Ivan O'Connell

Portable Data Acquisition System for Nano and Ultra-Micro Scale Electrochemical Sensors

10.26434/chemrxiv.12320291.v1

Posted

May 19, 2020

Chenchen LIU, Xiuxia Wang, Junkai Liu, Qiang Yue, Jacky W. Y. Lam, Liang Luo, Ben Zhong Tang

Near-Infrared AIE Dots with Chemiluminescence for Deep-Tissue Imaging

10.26434/chemrxiv.12320504.v1

Posted

May 19, 2020

Ji Liu, Saeed Saedy, Rakshita Verma, J. Ruud van Ommen, Michael Nolan

Atomic Layer Deposition of CeOx Nanoclusters on TiO2

10.26434/chemrxiv.12320855.v1

Posted

May 19, 2020

Dr. Priyanka Saha, Ranabir Majumder, sourabrata chakraborty, Amit Kumar Srivastava, Mahitosh Mandal, Siddik Sarkar

Mutations in Spike Protein of SARS-CoV-2 Modulate Receptor Binding, Membrane Fusion and Immunogenicity: An Insight into Viral Tropism and Pathogenesis of COVID-19

10.26434/chemrxiv.12320567.v1

Posted

May 19, 2020

Amy Guan, Ivy Liang, Christopher Zhou, Thomas Cundari

Metal and Ligand Effects on Coordinated Methane pKa. Direct Correlation with the Methane Activation Barrier

10.26434/chemrxiv.12323726.v1

Posted

May 19, 2020

Matthew Stout, Brian Skelton, Alexandre N. Sobolev, Paolo Raiteri, Massimiliano Massi, Peter Simpson

Synthesis and Photochemical Properties of Re(I) Tricarbonyl Complexes Bound to Thione and Thiazole-2-ylidene Ligands

10.26434/chemrxiv.12324875.v1

Posted

May 19, 2020

Sebastian Ehrling, Emily M. Reynolds, Volodymyr Bon, Irena Senkovska, Tatiana E. Gorelik, Marcus Rauche, Matthias Mendt, Manfred S. Weiss, A. Poeppl, Eike Brunner, Ute Kaiser, Andrew Goodwin, Stefan Kaskel

Adaptive Response of a Metal–organic Framework Through Reversible Disorder–disorder Transitions

10.26434/chemrxiv.12326165.v1

Posted

May 19, 2020

abdirahman elmi, S. al jawad sayem, Mohamed Ahmed, fatouma mohamed

Natural Compounds from Djiboutian Medicinal Plants as Inhibitors of COVID-19 by in Silico Investigations

10.26434/chemrxiv.12325844.v1

Posted

May 19, 2020

Yuqiang Li, Binzhi Zhao, Long Peng, Guoyin Yin

Migratory Reductive Cross-Coupling via Dual Nickel Metathesis

10.26434/chemrxiv.12318398.v1

Posted

May 19, 2020

Jordann A.L. Wells, Muhammad Anwar Shameem, Arvind Kumar Gupta, Andreas Orthaber

Core and Double Bond Functionalization of Cyclopentadithiophene- Phosphaalkenes

10.26434/chemrxiv.12318764.v1

Posted

May 19, 2020

Dalvin D Méndez-Hernández, Amgalanbaatar Baldansuren, Vidmantas Kalendra, Philip Charles, Brian Mark, William Marshall, Brian Molnar, Thomas A. Moore, K. V. Lakshmi, Ana L. Moore

HYSCORE and DFT Studies of Proton-Coupled Electron Transfer in a Bioinspired Artificial Photosynthetic Reaction Center

10.26434/chemrxiv.12318806.v1

Posted

May 19, 2020

Warda Rahim, Jonathan Skelton, Christopher Savory, Ivana Radosavljevic Evans, John S. O. Evans, Aron Walsh, David Scanlon

Polymorph Exploration of Bismuth Stannate Using First-principles Phonon Mode Mapping

10.26434/chemrxiv.12318752.v1

Posted

May 19, 2020

Boone Prentice, Daniel Ryan, Kerri Grove, D. Shannon Cornett, Richard Caprioli, Jeffrey Spraggins

Dynamic Range Expansion by Gas-Phase Ion Fractionation and Enrichment for Imaging Mass Spectrometry

10.26434/chemrxiv.12318926.v1

Posted

May 19, 2020

Jiajun Wang, Jigneshkumar Dahyabhai Prajapati, Ulrich Kleinekathöfer, Mathias Winterhalter

Dynamic Interaction of Norfloxacin to Magnesium Monitored by Bacterial Outer Membrane Nanopores

10.26434/chemrxiv.12319307.v1

Posted

May 19, 2020

Bond Valence Sum: A Powerful Tool for Determination of Oxidation States of Metal Ions in Coordination Compounds

Tu Nguyen

10.26434/chemrxiv.12317546.v1

Posted

May 19, 2020

Habib Gholipour-Ranjbar, Hong Fang, Jintong Guan, D`Angelo Peters, Audra Seifert, Puru Jena, Julia Laskin

Designing New Metal Chalcogenide Nanoclusters Through Atom-by-Atom Substitution

10.26434/chemrxiv.12319067.v1

Posted

May 19, 2020

A Thermodynamic assessment of the reported room-temperature chemical synthesis of C2

Henry S. Rzepa

10.26434/chemrxiv.12237980.v2

Posted

May 19, 2020

Alex Zhavoronkov, Bogdan Zagribelnyy, Alexander Zhebrak, Vladimir Aladinskiy, Victor Terentiev, Quentin Vanhaelen, Dmitry S. Bezrukov, Daniil Polykovskiy, Rim Shayakhmetov, Andrey Filimonov, Michael Bishop, Steve McCloskey, Edgardo Leija, Deborah Bright, Keita Funakawa, Yen-Chu Lin, Shih-Hsien Huang, Hsuan-Jen Liao, Alex Aliper, Yan Ivanenkov

Potential Non-Covalent SARS-CoV-2 3C-like Protease Inhibitors Designed Using Generative Deep Learning Approaches and Reviewed by Human Medicinal Chemist in Virtual Reality

10.26434/chemrxiv.12301457.v1

Posted

May 19, 2020

Xuewen He, Ryan Tsz Kin Kwok, Jacky W. Y. Lam, Ben Zhong Tang

AIE Stereoisomers with Huge Differences in Luminescence Behavior and Biomedical Activity

10.26434/chemrxiv.12320024.v1

Posted

May 20, 2020

Janmejaya Rout, Bikash Chandra Swain, Umakanta Tripathy

In Silico Investigation of Spice Molecules as Potent Inhibitor of SARS-CoV-2

10.26434/chemrxiv.12323615.v1

Posted

May 20, 2020

Guido Creusen, Cecilia Oluwadunsin Akintayo, Katja Schumann, Andreas Walther

Scalable One-Pot - Liquid-Phase Oligonucleotide Synthesis for Model Network Hydrogels

10.26434/chemrxiv.12327569.v1

Posted

May 20, 2020

Sharanya CS, arun kumar, Abhithaj J, Sabu A, Haridas Madathilkovilakathu

Drug Repurposing for COVID-19 from FDA Approved and Experiment Stage Drugs by in Silico Methods with SARS CoV-2 Spike Protein

10.26434/chemrxiv.12324980.v1

Posted

May 20, 2020

Zhihao Wang, Chi Xu, Bing Liu, Nan Qiao

Repurposing the Natural Compound for Antiviral During an Epidemic -a Case Study on the Drug Repurpose of Natural Compounds to Treat COVID-19

10.26434/chemrxiv.12326399.v1

Posted

May 20, 2020

Teena Rajan, Tania Read, Aya Abdalla, Bhavik Patel, Julie Macpherson

Ex-vivo Electrochemical pH Mapping of the Gastrointestinal Tract in the Absence and Presence of Pharmacological Agents

10.26434/chemrxiv.12326432.v1

Posted

May 20, 2020

Sergey Kucheryavskiy, Sergei Zhilin, Oxana Ye. Rodionova, Alexey L. Pomerantsev

Procrustes Cross-Validation — a Bridge Between Cross-Validation and Independent Validation Set

10.26434/chemrxiv.12327803.v1

Posted

May 20, 2020

koushik kasavajhala, kenneth lam, Carlos Simmerling

Exploring Protocols to Build Reservoirs to Accelerate Replica Exchange MD Simulations

10.26434/chemrxiv.12328007.v1

Posted

May 20, 2020

Richard Killick, Clive Ballard, Patrick Doherty, Gareth Williams

Using the SARS Infection Transcriptional Signature to Identify Potential Treatments for Covid-19

10.26434/chemrxiv.12327554.v1

Posted

May 20, 2020

Samer Gozem, Robert Seidel, Uwe Hergenhahn, Evgeny Lugovoy, Bernd Abel, Bernd Winter, Anna I. Krylov, Stephen E. Bradforth

Probing the Electronic Structure of Bulk Water at the Molecular Lengthscale with Angle-Resolved Photoelectron Spectroscopy

10.26434/chemrxiv.12041904.v2

Posted

May 20, 2020

Prasanth Babu Ganta, Oliver Kühn, Ashour A. Ahmed

QM/MM Molecular Dynamics Investigation of the Binding of Organic Phosphates to the 100 Diaspore Surface

10.26434/chemrxiv.11378583.v2

Posted

May 20, 2020

Gaurav Joshi, Ramarao Poduri

Virtual Screening Enabled Selection of Antiviral Agents Against Covid-19 Disease Targeting Coronavirus Endoribonuclease NendoU: Plausible Mechanistic Interventions in the Treatment of New Virus Strain

10.26434/chemrxiv.12198966.v2

Posted

May 20, 2020

Yury Vishnevskiy, Sebastian Blomeyer, Christian G. Reuter

Low Pressure Gas Electron Diffraction: an Experimental Setup and Case Studies

10.26434/chemrxiv.12330923.v1

Posted

May 20, 2020

Eleni Litsa, Payel Das, Lydia Kavraki

Prediction of Drug Metabolites Using Neural Machine Translation

10.26434/chemrxiv.12331025.v1

Posted

May 20, 2020

Skylar Ferrara, Thomas Scanlan

A CNS-Targeting Prodrug Strategy for Nuclear Receptor Modulators

10.26434/chemrxiv.12331301.v1

Posted

May 20, 2020

Identification of Potent Drugs and Antiviral Agents for the Treatment of the SARS-CoV-2 Infection

Nihar Jena

10.26434/chemrxiv.12330599.v1

Posted

May 20, 2020

Sangwon Lee, Baekjun Kim, Jihan Kim

Discovery of Record-Breaking Metal-Organic Frameworks for Methane Storage using Evolutionary Algorithm and Machine Learning

10.26434/chemrxiv.12333077.v1

Posted

May 20, 2020

Affirmative Action for Whom? An Experiment on Latino Policy Preferences

Eduardo Salinas

Posted

May 20, 2020

10.33774/apsa-2020-09k91

Sebastian Wingbermühle, Lars V. Schäfer

Capturing the Flexibility of a Protein-Ligand Complex: Binding Free Energies from Different Enhanced Sampling Techniques

10.26434/chemrxiv.11106806.v3

Posted

May 21, 2020

Senthil Kumar Subramani, Yash Gupta, Manish Manish, GBKS Prasad

Gymnema Sylvestre A- Potential Inhibitor of COVID-19 Main Protease by MD Simulation Study

10.26434/chemrxiv.12333251.v1

Posted

May 21, 2020

Saroj Kumar Panda, Parth Sarthi Sen Gupta, Satyaranjan Biswal, Abhik Kumar Ray, Malay Kumar Rana

ACE-2-derived Biomimetic Peptides for the Inhibition of Spike Protein of SARS-CoV-2

10.26434/chemrxiv.12335933.v1

Posted

May 21, 2020

Kwan Yin Cheung, Kosuke Watanabe, Yasutomo Segawa, Kenichiro Itami

Synthesis of a Zigzag Carbon Nanobelt

10.26434/chemrxiv.12324353.v2

Posted

May 21, 2020

Robert Franz, Tobias Kuehlewind, Genrikh Shterk, Edy Abou-hamad, Alexander Parastaev, Evgeny Uslamin, Emiel J.M. Hensen, Freek Kapteijn, Jorge Gascon, Evgeny Pidko

Impact of small promoter amounts on coke structure in dry reforming of methane over Ni/ ZrO2

10.26434/chemrxiv.12174879.v2

Posted

May 21, 2020

Polla Rouf, Nathan J O'Brien, Sydney C. Buttera, Ivan Martinovic, Babak Bakhit, Erik Martinsson, Justinas Palisaitis, Chih-Wei Hsu, Henrik Pedersen

Epitaxial GaN using Ga(NMe2)3 and NH3 Plasma by Atomic Layer Deposition

10.26434/chemrxiv.12173640.v2

Posted

May 21, 2020

MUBARAK ALAMRI, Ali Altharawi, Alhumaidi B. Alabbas, Manal A. Alossaimi, Safar M. Alqahtani

Structure-Based Virtual Screening and Molecular Dynamics of Phytochemicals Derived from Saudi Medicinal Plants to Identify Potential COVID-19 Therapeutics

10.26434/chemrxiv.12336635.v1

Posted

May 21, 2020

Edy Brito, Liana Mendes, Deborah Garruti, Guilherme Zocolo, Marcelo Lima

Structure-Astringency Relationship of Anacardic Acids from Cashew Apple (Anacardium Occidentale L.)

10.26434/chemrxiv.12336704.v1

Posted

May 21, 2020

Xinghua Chen, Lufang Zhao, Qing Zhou, Yuan Xu, Yongjun Zheng, Yanfei Shen, Songqin Liu, Yuanjian Zhang

Diverse Metal Coordination Center in M-N-C Enabling Different Type of Enzyme-Mimic Reactions

10.26434/chemrxiv.12337481.v1

Posted

May 21, 2020

Xinhao Li, Denis Fourches

SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning

10.26434/chemrxiv.12339368.v1

Posted

May 21, 2020

Jules Moutet, jules Schleinitz, Leo La Droitte, Maxime Tricoire, Frédéric Gendron, Thomas Simler, Carine Clavaguéra, Boris Le Guennic, Olivier Cador, Gregory Nocton

Bis-cyclooctatetraenyl Thulium(II): Highly Reducing Lanthanide Sandwich Single Molecule Magnets

10.26434/chemrxiv.12339614.v1

Posted

May 21, 2020

Jeffrey Kowalski, Alexis Fenton Jr, Bertrand Neyhouse, Fikile Brushett

A Method for Evaluating Soluble Redox Couple Stability using Microelectrode Voltammetry

10.26434/chemrxiv.12331655.v1

Posted

May 21, 2020

Sarah michel, Alice Kilner, Jean-Charles Eloi, Sarah E rogers, Wuge H. Briscoe, M. Carmen Galan

Norbornene-Functionalised Chitosan Hydrogels and Microgels via an Unprecedented Photo-Initiated Self-Assembly for Potential Biomedical Applications

10.26434/chemrxiv.12340484.v1

Posted

May 21, 2020

In Silico Pharmacophore Study and Structural Optimization of Nafamostat Yield Potentially Novel Transmembrane Protease Serine 2 (TMPRSS2) Inhibitors Which Block the Entry of SARS-CoV-2 Virus into Human Cells

Bach Nguyen

10.26434/chemrxiv.12340001.v1

Posted

May 21, 2020

Andreia Fortuna, Paulo J. Costa, Fátima Piedade, M. Conceição Oliveira, Nuno Manuel Xavier

Synthesis of 1,2,3-Triazole-Containing Furanosyl Nucleoside Analogs and Their Phosphate, Phosphoramidate or Phoshonate Derivatives as Potential Sugar Diphosphate or Nucleotide Mimetics

10.26434/chemrxiv.12343994.v1

Posted

May 21, 2020

Kumar Sharp, Dr. Shubhangi Dange

In-Silico FDA-Approved Drug Repurposing to Find the Possible Treatment of Coronavirus Disease-19 (COVID-19)

10.26434/chemrxiv.12340718.v1

Posted

May 21, 2020

Steven Huss, Sikai Wu, Bo Chen, Tao Wang, Margaret Gerthoffer, Roald Hoffmann, Vincent Crespi, John Badding, Elizabeth Elacqua

Scalable Synthesis of Crystalline One-Dimensional Carbon Nanothreads Through Modest-Pressure Polymerization of Furan

10.26434/chemrxiv.12341057.v1

Posted

May 21, 2020

Donor Acceptor Copolymers from Cyclopentannulation Polymerizations with Dicyclopenta[cd,jk]pyrene and Dicyclopenta[cd,lm]perylene Acceptors

Ain Uddin, Kyle Plunkett

10.26434/chemrxiv.12344258.v1

Posted

May 21, 2020

Amanda J. Parker, George Opletal, Amanda Barnard

Classification of Platinum Nanoparticle Catalysts using Machine Learning

10.26434/chemrxiv.12344459.v1

Posted

May 21, 2020

How electoral designers fail: The contextual straightjackets of reform

Kenneth Bunker

Posted

May 21, 2020

10.33774/apsa-2020-p7l80

Chang Qiao, Alba Villar-Yanez, Josefine Sprachmann, Bart Limburg, Carles Bo, Arjan. W. Kleij

Organocatalytic Trapping of Elusive Carbon Dioxide based Heterocycles through a Kinetically Controlled Cascade Process

10.26434/chemrxiv.12343985.v1

Posted

May 22, 2020

Lin Zhang, Ken Yamazaki, Jamie Leitch, Ruben Manzano, Victoria Atkinson, Trevor Hamlin, Darren J. Dixon

Dual Catalytic Enantioselective Desymmetrization of Allene-Tethered Cyclohexanones

10.26434/chemrxiv.12349694.v1

Posted

May 22, 2020

Yuyao Yang, Shuangjia Zheng, Shimin Su, Jun Xu, Hongming Chen

SyntaLinker: Automatic Fragment Linking with Deep Conditional Transformer Neural Networks

10.26434/chemrxiv.12271508.v5

Posted

May 22, 2020

Michael Schauperl, Sophie Kantonen, Lee-Ping Wang, Michael Gilson

Data-driven analysis of the number of Lennard-Jones types needed in a force field

10.26434/chemrxiv.12339317.v1

Posted

May 22, 2020

Luqman Hakim Mohd Azmi, Daryl R. Williams, Bradley P. Ladewig

Polymer-Assisted Modification of Metal-Organic Framework MIL-96 (Al): Influence on Particle Size, Crystal Morphology and Perfluorooctanoic Acid (PFOA) Removal

10.26434/chemrxiv.12262010.v2

Posted

May 22, 2020

Johannes Hunold, Jana Eisermann, Martin Brehm, Dariush Hinderberger

Characterization of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in Water

10.26434/chemrxiv.12349934.v1

Posted

May 22, 2020

Ales Styskalik, Imène Kordoghli, Claude Poleunis, Arnaud Delcorte, Zdenek Moravec, Lucie Simonikova, Viktor Kanický, Carmela Aprile, Luca Fusaro, Damien Debecker

Ethanol Dehydration over Hybrid Mesoporous Aluminosilicate Catalysts Obtained in One Pot by Non-Hydrolytic Sol-Gel

10.26434/chemrxiv.12354770.v1

Posted

May 22, 2020

Samuel Tovey, Anand Narayanan Krishnamoorthy, ganesh sivaraman, Jicheng Guo, Chris Benmore, Andreas Heuer, Christian Holm

DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning

10.26434/chemrxiv.12355160.v1

Posted

May 22, 2020

Victor Quezada-Novoa, Hatem M. Titi, Amy Sarjeant, Ashlee J Howarth

Building a Shp: A New Rare-Earth Metal-Organic Framework and Its Application in a Catalytic Photo-Oxidation Reaction

10.26434/chemrxiv.12355406.v1

Posted

May 22, 2020

Yoh Matsuki, Tomoaki Sugishita, Toshimichi Fujiwara

Surface-Only Spectroscopy for Diffusion-Limited Systems Using Ultra-Low Temperature DNP MAS NMR at 16.4 T

10.26434/chemrxiv.12355526.v1

Posted

May 22, 2020

Daniel Koch, Sergei Manzhos

Oxygen Redox Activity in Cathodes – a Common Phenomenon Calling for Density-Based Descriptors

10.26434/chemrxiv.12355847.v1

Posted

May 22, 2020

Zhengfeng Zhang, Andres Oss, Mai-Liis Org, Ago Samoson, Huan Tan, Jun Yang

Frequency Selective Phase-Optimized Recoupling for Protons in Ultra-Fast Solid-State Magic-Angle Spinning NMR

10.26434/chemrxiv.12355934.v1

Posted

May 22, 2020

Pratap Kumar Parida, Dipak Paul, Debamitra Chakravorty

Nature to Nurture- Identifying Phytochemicals from Indian Medicinal Plants as Prophylactic Medicine by Rational Screening to Be Potent Against Multiple Drug Targets of SARS-CoV-2

10.26434/chemrxiv.12355937.v1

Posted

May 22, 2020

Philosophy

Version undefined posted 23 May 2020

Purism: Logic as the basis of Morality

* Primus

Posted

May 23, 2020

10.33774/coe-2020-h2d4k-v2

Megan Greaves, Thomas O. Ronson, Guy Lloyd-Jones, Feliu Maseras, Stephen Sproules, David Nelson

Unexpected Nickel Complex Speciation Unlocks Alternative Pathways for the Reactions of Alkyl Halides with dppf-Nickel(0)

10.26434/chemrxiv.12356582.v1

Posted

May 26, 2020

Junyi Gong, Peifa Wei, Junkai Liu, Yuncong Chen, zheng zhao, Weijun Zhao, Chao Ma, Jacky W. Y. Lam, Kam Sing Wong, Ying Li, Ben Zhong Tang

Anti-Kasha System by Design: A New Gateway for Cell Differentiation Through Machine Learning

10.26434/chemrxiv.12355940.v1

Posted

May 26, 2020

Reza Jahromi, Mahdi Rezaei, Seyed Hashem Samadi

Sugarcane Bagasse Gasification in a Downdraft Fixed-Bed Gasifier: Optimization of Operation Conditions

10.26434/chemrxiv.12361031.v1

Posted

May 26, 2020

Helium Nanodroplet Isolation Spectroscopy in an Undergraduate Teaching Laboratory

Paul Raston

10.26434/chemrxiv.12290474.v2

Posted

May 26, 2020

Soo-Yeon Moon, Sourav Chatterjee, Peter H. Seeberger, Kerry Gilmore

Predicting Glycosylation Stereoselectivity Using Machine Learning

10.26434/chemrxiv.12357302.v1

Posted

May 26, 2020

Valentina Abet, Filip Szczypiński, Marc Little, Valentina Santolini, Christopher D. Jones, Robert Evans, Craig Wilson, Xiaofeng Wu, Michael Thorne, Michael J. Bennison, Peng Cui, Andrew I. Cooper, Kim Jelfs, Anna Slater

Inducing Social Self-Sorting in Organic Cages to Tune the Shape of the Internal Cavity

10.26434/chemrxiv.12361688.v1

Posted

May 26, 2020

Nischal Komal Karki, Niraj Verma, Francesco Trozzi, Peng Tao, Elfi Kraka, Brian Zoltowski

Predicting Potential SARS-COV-2 Drugs - In Depth Drug Database Screening Using Deep Neural Network Framework SSnet, Classical Virtual Screening and Docking

10.26434/chemrxiv.12362213.v1

Posted

May 26, 2020

Riccardo Alessandri, Selim Sami, Jonathan Barnoud, Alex H. de Vries, Siewert-Jan Marrink, Remco W.A. Havenith

Resolving Donor-Acceptor Interfaces and Charge Carrier Energy Levels of Organic Semiconductors with Polar Side Chains

10.26434/chemrxiv.12277931.v1

Posted

May 26, 2020

Koichiro Kato, Teruki Honma, Kaori Fukuzawa

Intermolecular Interaction Among Remdesivir, RNA and RNA-Dependent RNA Polymerase of SARS-CoV-2 Analyzed by Fragment Molecular Orbital Calculation

10.26434/chemrxiv.12362222.v1

Posted

May 26, 2020

Julia M. Stauber, Josef Schwan, Xinglong Zhang, Jonathan C. Axtell, Dahee Jung, Brendon J. McNicholas, Paul H. Oyala, Andrew J. Martinolich, Jay R. Winkler, Kimberly A. See, Thomas Miller, Harry B. Gray, Alexander Spokoyny

A Super-Oxidized Radical Cationic Icosahedral Boron Cluster

10.26434/chemrxiv.12362252.v1

Posted

May 26, 2020

Mark Isaacs, christopher parlett, neil robinson, Lee Durndell, Jinesh Manayil, Simon Beaumont, Shan Jiang, Nicole Hondow, Alexander Lamb, Michael Johns, Karen Wilson, Adam Lee

A Spatially Orthogonal Hierarchically Porous Acid-Base Catalyst for Cascade and Antagonistic Reactions

10.26434/chemrxiv.8248250.v3

Posted

May 26, 2020

Nidhi Sapre, Gaurav Das, Sneha Bajpe

pH Responsive in Vitro Cargo Release of PEG Coated MSNs Is Governed by Buffer Composition

10.26434/chemrxiv.12362411.v1

Posted

May 26, 2020

Ljiljana Stojanovic, Rachel Crespo Otero

Aggregation Induced Emission in the Tetraphenylthiophene Crystal: The Role of Triplet States

10.26434/chemrxiv.12363069.v1

Posted

May 26, 2020

Myricetin Preferentially Binds to Interfacial Regions in Domains 1 – 3 to Inhibit Cholesterol-Dependent Cytolysins: A Molecular Docking Study

Rafael Espiritu

10.26434/chemrxiv.12362996.v1

Posted

May 26, 2020

Gianna J. Manchester, Julia Winter, Sean P. Hickey, Sarah Wegwerth

A Study of Hybridization Understanding from Algorithmic to Conceptual – Is Algorithmic an End Point for Students?

10.26434/chemrxiv.12360788.v1

Posted

May 26, 2020

Sandra Smieszek, Bart Przychodzen, Vasilios Polymeropoulos, Christos Polymeropoulos, Mihael Polymeropoulos

Direct ACE2- Spike RBD Binding Disruption with Small Molecules: A Strategy for COVID-19 Treatment

10.26434/chemrxiv.12318923.v1

Posted

May 26, 2020

Cross-national analysis of global security discourse using word embeddings

Takuto Sakamoto

Posted

May 26, 2020

10.33774/apsa-2020-5k2mt

Hidden Assumption of Gouy-Chapman-Stern Model

Chenkun Li, Jun Huang

10.26434/chemrxiv.11901996.v3

Posted

May 27, 2020

Huijun Jiang, Zhonghuai Hou, Yi Luo

A Kinetic View on Proximity-dependent Selectivity of Carbon Dioxide Reduction on Bifunctional Catalysts

10.26434/chemrxiv.12364121.v1

Posted

May 27, 2020

Mallikarjuna Nimgampalle, Vasudharani Devanthan, Ambrish Saxena

Screening of Chloroquine, Hydroxychloroquine and Its Derivatives for Their Binding Affinity to Multiple SARS-CoV-2 Protein Drug Targets

10.26434/chemrxiv.12365282.v1

Posted

May 27, 2020

Nuclear Spin Induced Optical Rotation of Functional Groups in Hydrocarbons

Petr Štěpánek

10.26434/chemrxiv.12366308.v1

Posted

May 27, 2020

Dimas Suárez, Natalia Díaz

SARS-CoV-2 Main Protease: A Molecular Dynamic Study

10.26434/chemrxiv.12366584.v1

Posted

May 27, 2020

Suiying Ye, Tian tian, Andrew J. Christofferson, Sofia Erikson, Jakub Jagielski, Zhi Luo, Sudhir Kumar, Chih-Jen Shih, Jean-Christophe Leroux, yinyin bao

Tuning Multicolor Emission from a Single Fluorophore via Controlled Radical Polymerization-Mediated Charge Transfer

10.26434/chemrxiv.12366773.v1

Posted

May 27, 2020

Sugandh Kumar, Pratima Kumari, Geetanjali Agnihotri, Preethy VijayKumar, Shaheerah Khan, Gulam Hussain Syed, Anshuman Dixit

Identification of Drugs Targeting Multiple Viral and Human Proteins Using Computational Analysis for Repurposing Against COVID-19

10.26434/chemrxiv.12366938.v1

Posted

May 27, 2020

Evgeny Tretyakov, Svetlana Zhivetyeva, Pavel Petunin, Dmitry Gorbunov, Nina Gritsan, Irina Bagryanskaya, Artem Bogomyakov, Pavel Postnikov, Maxim Kazantsev, Marina Trusova, Inna Shundrina, Elena Zaytseva, Dmitriy Parkhomenko, Elena Bagryanskaya, Victor Ovcharenko

Ferromagnetic Chain Based on Verdazyl-Nitroxide Diradical

10.26434/chemrxiv.12367334.v1

Posted

May 27, 2020

Jesse Meyer, Natalie M. Niemi, David J. Pagliarini, Joshua J. Coon

Peptide Identification and Quantification by Gas Phase Fractionation Enables Proteomics Without Liquid Chromatography

10.26434/chemrxiv.12367376.v1

Posted

May 27, 2020

Gilian T. Thomas, Sofia Donnecke, Irina Paci, J Scott McIndoe

Trichloro(Dinitrogen)platinate(II)

10.26434/chemrxiv.12367472.v1

Posted

May 27, 2020

Yassine Raoui, Hamid Ez-Zahraouy, Samrana Kazim, Shahzada Ahmad

Energy Level Engineering of Charge Selective Contact and Halide Perovskite by Modulating Band Offset: Mechanistic Insights

10.26434/chemrxiv.12367505.v1

Posted

May 27, 2020

Alfredo Calderón-Cárdenas, Enrique A. Paredes-Salazar, Hamilton Varela

Apparent Activation Energy in Electrochemical Multistep Reactions: A Description via Degrees of Rate Control

10.26434/chemrxiv.12367595.v1

Posted

May 27, 2020

Konstantin Khivantsev, Nicholas R. Jaegers, Hristiyan A. Aleksandrov, Libor Kovarik, Miroslaw A. Derewinski, Yong Wang, Georgi N. Vayssilov, János Szanyi

Biomimetic CO Oxidation Below – 100 ⁰C by a Nitrate-Containing Metal-Free Microporous System

10.26434/chemrxiv.12368876.v1

Posted

May 27, 2020

Vivian Delcourt, Agnès Barnabé, Benoit Loup, Patrice Garcia, François André, Benjamin Chabot, Stéphane Trévisiol, Yves Moulard, Marie-Agnès Popot, Ludovic Bailly-Chouriberry

MetIDfyR, an Open-Source R Package to Decipher Small-Molecule Drugs Metabolism Through High Resolution Mass Spectrometry

10.26434/chemrxiv.12368963.v1

Posted

May 27, 2020

Peng Chen, Zehua Zeng, Hongwu Du

Establishment and Validation of a Drug-Target Microarray for SARS-CoV-2

10.26434/chemrxiv.12362618.v1

Posted

May 27, 2020

Stefan Bitter, Moritz Schlötter, Markus Schilling, Rainer Winter, Sebastian Polarz

Ferro-Self-Assembly: Magnetic and Electrochemical Adaptation of a Multiresponsive Zwitterionic Metalloamphiphile Showing a Shape-Hysteresis Effect

10.26434/chemrxiv.12370406.v1

Posted

May 27, 2020

Shalmali Bapat, Doris Segets

Exhibitive Nano-to-Micron Scale Sedimentation Dynamics of Colloidal Formulations Through Direct Visualization

10.26434/chemrxiv.12278360.v2

Posted

May 27, 2020

Thomas N hooper, Ryan Brown, Feriel Rekhroukh, Martí Garçon, Andrew J. P. White, Paulo J. Costa, Mark Crimmin

Catalyst Control of Selectivity in the C–O Bond Alumination of Biomass Derived Furans

10.26434/chemrxiv.12058575.v3

Posted

May 27, 2020

Jones de Andrade, Paulo Fernando Bruno Gonçalves, Paulo Augusto Netz

How Does the Novel Coronavirus Interact with the Human ACE2 Enzyme? A Thermodynamic Answer

10.26434/chemrxiv.12361238.v2

Posted

May 27, 2020

Moustafa El-Araby, Abdelsattar Omar

A Single-Step Synthesis of 1,3,4,6-Tetraaryl-5-Aryliminopiperazin-2-One

10.26434/chemrxiv.12369461.v1

Posted

May 27, 2020

Irene Maffucci, Damien Laage, Guillaume Stirnemann, Fabio Sterpone

Differences in Thermal Structural Changes and Melting Between Mesophilic and Thermophilic Dihydrofolate Reductase Enzymes

10.26434/chemrxiv.12369737.v1

Posted

May 27, 2020

Laura Beswick, Eleni Dimitriou, Sanaz Ahmadipour, Ayesha Zafar, Martin Rejzek, Johannes Reynisson, Robert Field, Gavin Miller

Targeted Chemoenzymatic Synthesis of Sugar Nucleotide Probes Reveal an Inhibitor of the GDP-D-Mannose Dehydrogenase from Pseudomonas Aeruginosa

10.26434/chemrxiv.12369758.v1

Posted

May 27, 2020

Jimin Park, Anthony Tabet, Junsang Moon, Po-Han Chiang, Florian Koehler, Atharva Sahasrabudhe, Polina Anikeeva

Remotely Controlled Proton Generation for Neuromodulation

10.26434/chemrxiv.12369893.v1

Posted

May 27, 2020

Shruti Koulgi, Vinod Jani, Mallikarjunachari Uppuladinne V N, Uddhavesh Sonavane, Rajendra Joshi

Remdesivir-Bound and Ligand-Free Simulations Reveal the Probable Mechanism of Inhibiting the RNA Dependent RNA Polymerase of SARS-CoV-2

10.26434/chemrxiv.12370172.v1

Posted

May 27, 2020

Julia Duncan, Lun Li, Vahid Mohammadrezaei, Laina Geary

Scandium and Dimethylaminopyridine Catalyzed Dehydrative Coupling of Secondary Benzylic and Primary Alcohols to Synthesize Unsymmetrical Ethers

10.26434/chemrxiv.12370574.v1

Posted

May 27, 2020

Dongyang Zhu, Rafael Verduzco

Ultralow Surface Tension Solvents Enable Facile COF Activation with Reduced Pore Collapse

10.26434/chemrxiv.12374249.v1

Posted

May 27, 2020

Matthias Schiedel, Attila Lehotzky, Sándor Szunyogh, Judit Oláh, Sören Hammelmann, Nathalie Wössner, Dina Robaa, Oliver Einsle, Wolfgang Sippl, Judit Ovádi, Manfred Jung

HaloTag-Targeted Sirtuin Rearranging Ligand (SirReal) for the Development of Proteolysis Targeting Chimeras (PROTACs) Against the Lysine Deacetylase Sirtuin 2 (Sirt2)

10.26434/chemrxiv.12370469.v1

Posted

May 27, 2020

Somayah S. Elsayed, Grégory Genta-Jouve, Victor J. Carrion, Peter H. Nibbering, Maxime A. Siegler, Wietse de Boer, Thomas Hankemeier, Gilles van Wezel

Atypical Spirotetronate Polyketides Identified in the Underexplored Genus Streptacidiphilus

10.26434/chemrxiv.12369467.v1

Posted

May 28, 2020

Zeyu Deng, Gopalakrishnan Sai Gautam, Sanjeev Krishna Kolli, Jean-Nöel Chotard, Anthony K. Cheetham, Christian Masquelier, Pieremanuele Canepa

Phase Behavior in NaSiCON Electrolytes and Electrodes

10.26434/chemrxiv.12370334.v1

Posted

May 28, 2020

Luis Itza Vazquez-Salazar, Michele Selle, Alex H. de Vries, Siewert-Jan Marrink, Paulo C. T. Souza

Martini Coarse-Grained Models of Imidazolium-Based Ionic Liquids: From Nanostructural Organization to Liquid-Liquid Extraction

10.26434/chemrxiv.12369479.v1

Posted

May 28, 2020

Hugo Gattuso, Raphael D. Levine, Francoise Remacle

Massively Parallel Classical Logic via Coherent Dynamics of an Ensemble of Quantum Systems with Dispersion in Size

10.26434/chemrxiv.12370538.v1

Posted

May 28, 2020

Cong Jin, Brian Olsen, Erik Luber, Jillian Buriak

Van Der Waals Epitaxy of Soft Twisted Bilayers: Lattice Relaxation and Static Distortion Waves

10.26434/chemrxiv.12368486.v1

Posted

May 28, 2020

Jesse Park, Brianna Collins, Lucy Darago, Tomce Runcevski, Michael Aubrey, Henry Z. H. Jiang, Ever Velasquez, Mark Green, Jason Goodpaster, Jeffrey R. Long

Magnetic Ordering via Itinerant Ferromagnetism in a Metal-Organic Framework

10.26434/chemrxiv.12330866.v2

Posted

May 28, 2020

Law

Legal System of Corporate Management in Nepal

Suman Acharya

Posted

May 28, 2020

10.33774/coe-2020-m9v5s

Praneet Prakash, Manoj Varma

Specificity of Biomarker Detection in Microfluidic Sensors

10.26434/chemrxiv.12376745.v1

Posted

May 28, 2020

Diego Garay-Ruiz, Carles Bo

Revisiting Catalytic Cycles: A Broader View Through the Energy Span Model

10.26434/chemrxiv.12375047.v1

Posted

May 28, 2020

Ognjen Miljanic, Thamon Puangsamlee

Chemoselectivity Switching through Coupled Equilibria

10.26434/chemrxiv.12375215.v1

Posted

May 28, 2020

Kenji Okada, Miharu Nakanishi, Ken Ikigaki, Yasuaki Tokudome, paolo falcaro, Christian Doonan, Masahide Takahashi

Controlling the Alignment of 1D Nanochannel Arrays in Oriented Metal-Organic Framework Films for Host-Guest Materials Design

10.26434/chemrxiv.12369353.v1

Posted

May 28, 2020

Zujhar Singh, Pedro Donnarumma, Marek Majewski

Molecular Cu(I)-Cu(II) Photosensitizer-Catalyst Photoelectrode for Water Oxidation

10.26434/chemrxiv.12376067.v1

Posted

May 28, 2020

Eric Greve, Sergey Lindeman, Chris Dockendorff

Route Exploration and Synthesis of the Reported Pyridone-Based PDI Inhibitor STK076545

10.26434/chemrxiv.12376469.v1

Posted

May 28, 2020

Pulala Raghuveer Yadav, Hussain Syed, Sadam DV Satyanarayana, Pavan Kumar Pindi

Microsecond Simulation Analysis of Carbonic Anhydrase – II in Complex with (+)- Cathechin Revealed Molecular Interactions Responsible for Its Amelioration Effect on Fluoride Toxicity

10.26434/chemrxiv.12376679.v1

Posted

May 28, 2020

Abolghasem (Gus) Bakhoda, Otome Okoromoba, Christine Greene, Mahdi Raghibi Boroujeni, Jeffery A. Bertke, Timothy H. Warren

Uncovering a copper(II) Alkynyl Complex in C−C Bond Forming Reactions

10.26434/chemrxiv.12377693.v1

Posted

May 28, 2020

Elbruz Murat Baba, Jose Montero, Dmitrii Moldarev, Marcos V. Moro, Max Wolff, Daniel Primetzhofer, Sabrina Sartori, Esra Zayim, Smagul Zh. Karazhanov

Preferential Orientation of Photochromic Gadolinium Oxyhydrides

10.26434/chemrxiv.12377690.v1

Posted

May 28, 2020

Marjan Bele, Primož Jovanovič, Živa Marinko, Sandra Drev, Vid Simon Šelih, Janez Kovač, Miran Gaberšček, Gorazd Koderman Podboršek, Goran Drazic, Nejc Hodnik, Anton Kokalj, Luka Suhadolnik

Nanotubular Titanium Oxynitride with an Ultra-Low Iridium Loading as a High-Performance Oxygen-Evolution-Reaction Thin-Film Electrode

10.26434/chemrxiv.12377879.v1

Posted

May 28, 2020

Vraj shah, Jaydip Bhaliya, Dhwani Shah

In Silico Study of 1,5-Bis(4-Hydroxy-3-Methoxyphenyl)-1,4-Pentadiene-3-One (Deketene Curcumin) on Crystallized Protein Structures of SARS-CoV-2

10.26434/chemrxiv.12377000.v1

Posted

May 28, 2020

Extending Scaled-Interaction Adaptive-Partitioning QM/MM to Covalently Bonded Systems

Zenghui Yang

10.26434/chemrxiv.11916015.v2

Posted

May 28, 2020

Roman Sarott, Matthias Westphal, Patrick Pfaff, Claudia Korn, David Sykes, Gazzi, Thais, Benjamin Brennecke, Kenneth Atz, Marie Weise, Yelena Mostinski, Pattarin Hompluem, koers eline, Tamara Miljuš, Nicolas Roth, Hermon Asmelash, Man Vong, Jacopo Piovesan, Wolfgang Guba, Arne C. Rufer, Eric A. Kusznir, Sylwia Huber, Catarina Raposo, Elisabeth A. Zirwes, Anja Osterwald, Anto Pavlovic, Svenja Moes, Jennifer Beck, Irene Benito-Cuesta, Teresa Grande, Samuel ruiz de martin esteban, Alexei Yeliseev, Faye Drawnel, Gabriella Widmer, Daniela Holzer, Tom van der Wel, Harpreet Mandhair, Chen-Yin Yuan, Wiliam Drobyski, Yurii Saroz, Natasha Grimsey, Michael Honer, Jürgen Fingerle, Klaus Gawrisch, Julian Romero, Cecilia J. Hillard, Zoltan V. Varga, Mario van der Stelt, Pal Pacher, Jürg Gertsch, Peter McCormick, Christoph Ullmer, Sergio Oddi, Mauro Maccarrone, Dmitry B. Veprintsev, Marc Nazare, Uwe Grether, Erick Carreira

Development of High-Specificity Fluorescent Probes to Enable Cannabinoid Type 2 Receptor Studies in Living Cells

10.26434/chemrxiv.12356597.v1

Posted

May 28, 2020

Margaret Gerthoffer, Sikai Wu, Bo Chen, Tao Wang, Steven Huss, Shalisa M Oburn, Vincent Crespi, John Badding, Elizabeth Elacqua

‘Sacrificial’ Supramolecular Assembly and Pressure-Induced Polymerization: Toward Sequence-Defined Functionalized Nanothreads

10.26434/chemrxiv.12362243.v1

Posted

May 28, 2020

Sunita Dey, Jeongjae Lee, Sylvia Britto, Joshua M. Stratford, Giannantonio Cibin, Evan N. Keyzer, Simon J. Cassidy, Mahmoud Elgaml, Matthew T. Dunstan, Clare P. Grey

Exploring the Peierls-Distorted Vanadium Sulphide as A Rechargeable Mg-Ion Cathod .pdf

10.26434/chemrxiv.12363074.v1

Posted

May 28, 2020

Alejandro A. Franco, Jean-Nöel Chotard, Emilie Loup-Escande, Yinghui Yin, Ruijie Zhao, Alexis Rucci, Alain Ndganjong, Benjamin Beye, Simon Herbulot, Jan Ciger, Romain Lelong

Entering the Augmented Era: Immersive and Interactive Virtual Reality for Battery Education and Research

10.26434/chemrxiv.12373973.v1

Posted

May 28, 2020

Sobi Asako, Ikko Takahashi, Hirotaka Nakajima, Laurean Ilies, Kazuhiko Takai

Halogen–Sodium Exchange Revisited

10.26434/chemrxiv.12378104.v1

Posted

May 29, 2020

AKM Azad, Mojdeh Dinarvand, Alireza Nematollahi, Joshua Swift, Louise Lutze-Mann, Fatemeh Vafaee

A Comprehensive Integrated Drug Similarity Resource for In-Silico Drug Repositioning and Beyond

10.26434/chemrxiv.12376505.v1

Posted

May 29, 2020

On-the-Fly Determination of Active Region Centers in Adaptive-Partitioning QM/MM

Zenghui Yang

10.26434/chemrxiv.12376919.v1

Posted

May 29, 2020

Kateryna Miroshnychenko, Anna V. Shestopalova

Combined Use of Amentoflavone and Ledipasvir Could Interfere with Binding of Spike Glycoprotein of SARS-CoV-2 to ACE2: The Results of Molecular Docking Study

10.26434/chemrxiv.12377870.v1

Posted

May 29, 2020

Melody Holmquist, Elihu Ihms, Paul Gollnick, Vicki Wysocki, Mark Foster

Population Distributions from Native Mass Spectrometry Titrations Reveal Nearest-Neighbor Cooperativity in the Ring-Shaped Oligomeric Protein TRAP

10.26434/chemrxiv.12377861.v1

Posted

May 29, 2020

Nicholas Riley, Stacy A. Malaker, Marc D. Driessen, Carolyn Bertozzi

Optimal Dissociation Methods Differ for N- and O-glycopeptides

10.26434/chemrxiv.12062685.v2

Posted

May 29, 2020

Yigal Lahav, Dror Noy, Igor Schapiro

Spectral Tuning of Chlorophylls in Proteins – Electrostatics vs. Ring Deformation

10.26434/chemrxiv.12380027.v1

Posted

May 29, 2020

Eugenia Miguel-Casañ, Eduardo Andres-Garcia, Joaquin Calbo, Dr. Mónica Giménez Marqués, Guillermo Minguez Espallargas

Selective CO2 Sorption Using a Compartmentalized Coordination Polymer with Discrete Voids

10.26434/chemrxiv.12380099.v1

Posted

May 29, 2020

Subhayan Roychoudhury, Ruimin Qiao, Zengqing Zhuo, Qinghao Li, Yingchun Lyu, Jung-Hyun Kim, Jun Liu, Eungje Lee, Bryant J. Polzin, Jinghua Guo, Shishen Yan, Yongsheng Hu, Hong Li, David Prendergast, Wanli Yang

Deciphering the oxygen absorption pre-edge: a caveat on its application for probing oxygen redox reactions in batteries

10.26434/chemrxiv.11416374.v3

Posted

May 29, 2020

Mark Goldman, Jesse Kroll, William H. Green

Pressure-Dependent Kinetics of Peroxy Radicals Formed in Isobutanol Combustion

10.26434/chemrxiv.12380660.v1

Posted

May 29, 2020

Takuya Nagai, Nao Mimata, Yoshihiro Terada, Chikayoshi Sebe, Hiroki Shigehisa

Catalytic Dealkylative Synthesis of Cyclic Carbamates and Ureas via Hydrogen Atom Transfer and Radical-Polar Crossover

10.26434/chemrxiv.12382241.v1

Posted

May 29, 2020

Parth Sarthi Sen Gupta, Satyaranjan Biswal, Dipankar Singha, Malay Kumar Rana

Molecular Mechanism of Clinically Oriented Drug Famotidine with the Identified Potential Target of SARS-CoV-2

10.26434/chemrxiv.12382265.v1

Posted

May 29, 2020

Elisabetta Collini, Hugo Gattuso, Yuval Kolodny, Luca Bolzonello, Andrea Volpato, Hanna T. Fridman, Shira Yochelis, Morin Mor, Johanna Dehnel, Efrat Lifshitz, Yossi Paltiel, Raphael D. Levine, Francoise Remacle

Room Temperature Inter-Dot Coherent Dynamics in Multilayers Quantum Dot Materials

10.26434/chemrxiv.12382436.v1

Posted

May 29, 2020

Ronaldo Pilli, Juliana Lira Luna Freire Regueira, Luiz Fernando Silva Jr.

Diastereoselective Total Synthesis of (+)-Raputindole A: An Iridium- Catalyzed Cyclization Approach

10.26434/chemrxiv.12384044.v1

Posted

May 29, 2020

Philipp Jäker, Dino Aegerter, Till Kyburz, Roman Staedler, Rea Fonjallaz, Blanka Detlefs, Dorota Koziej

Flow Cell for Operando X-Ray Photon-in-Photon-out Studies on Photo-Electrochemical Thin Film Devices

10.26434/chemrxiv.12382529.v1

Posted

May 29, 2020

Jenke Scheen, Wilson Wu, Antonia S. J. S. Mey, Paolo Tosco, Mark Mackey, Julien Michel

A Hybrid Alchemical Free Energy and Machine Learning Methodology for the Calculation of Absolute Hydration Free Energies of Small Molecules

10.26434/chemrxiv.12380612.v1

Posted

May 29, 2020

Marco Catalano, Sebastian Oehler, Luca Prati, Nicholas Favalli, Gabriele Bassi, Jörg Scheuermann, Dario Neri

Antibody-Inspired Affinity Measurements of Fluorescein-Linked Small Molecule Ligands

10.26434/chemrxiv.12382580.v1

Posted

May 29, 2020

Adolfo Bastida, José Zúñiga, Alberto Requena, Beatriz Miguel, Javier Cerezo

On the Role of Entropy in the Stabilization of α-Helixes

10.26434/chemrxiv.12383522.v1

Posted

May 29, 2020

Jose J Plata, Antonio Marquez, Santiago Cuesta-López, Javier Fdez. Sanz

Connecting Experimental Synthetic Variables with the Microstructure and Electronic Properties of Doped Ferroelectric Oxides Using High-Throughput Frameworks

10.26434/chemrxiv.12378140.v1

Posted

May 29, 2020

Linuz Aggeborn, Henrik Andersson, Sirus Håfström Dehdari, Karl-Oskar Lindgren

Does Election Salience Affect Immigrant Voter Turnout?

Posted

May 29, 2020

10.33774/apsa-2020-9dkbv

Why is there no just riot theory?

Jonathan Havercroft

Posted

May 29, 2020

10.33774/apsa-2020-khmh5

Engineering

Version undefined posted 30 May 2020

NAGI METHODS OF MAP QUALITY EVALUATION

Nagi Zomrawi

Posted

May 30, 2020

10.33774/coe-2020-whvf7

Engineering

Version undefined posted 30 May 2020

ASSESSMENT OF PHARMACEUTICAL SERVICE DISTRIBUTION USING GIS (A CASE STUDY OF KHARTOUM LOCALITY)

Eiman Eisa, Nagi Zomrawi

Posted

May 30, 2020

10.33774/coe-2020-k2843

Mathematics

Version undefined posted 31 May 2020

Padovan numbers that are concatenations of two distinct repdigits

Mahadi Ddamulira

Posted

May 31, 2020

10.33774/coe-2020-smm9j-v2

Medicine (excluding clinical)