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Subject: Politics and International Relations
,
Working Paper
, Title:

Does it Matter if Parties Keep their Promises? The Impact of Voter Evaluations of Pledge Fulfilment on Vote Choice

, Authors: Heinz Brandenburg, Fraser McMillan, Robert Thomson
Version undefined posted 05 November 2019
Posted
Nov 05, 2019
10.33774/apsa-2019-p13l5
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Rebel Rivalry and The Strategic Nature of Rebel Group Ideology and Demands

, Authors: Sema Hande Ogutcu-Fu, Seden Akcinaroglu, Efe Tokdemir, Evgeny Sedashov, Jeremy Berkowitz, Carlos Moreno Leon
Version undefined posted 05 November 2019
Posted
Nov 05, 2019
10.33774/apsa-2019-wshb5
 
Subject: Chemistry
,
Working Paper
, Title:

Spontaneous and Template-Directed Emergence of Low-Symmetry Foldamers from Dynamic Homomeric Sequences

, Authors: Charalampos Pappas, Pradeep Mandal, Bin Liu, Brice Kauffmann, Xiaoming Miao, David Komaromy, Waldemar Hoffmann, Christian Manz, Rayoon Chang, Kai Liu, Kevin Pagel, Ivan Huc, Sijbren Otto
Version undefined posted 05 November 2019
Posted
Nov 05, 2019
10.26434/chemrxiv.10079186.v1
 
Subject: Chemistry
,
Working Paper
, Title:

First-Principles and Thermodynamics Comparison of Compositionally-Tuned Delafossites: Cation Release from the (001) Surface of Complex Metal Oxides

, Authors: Joseph W. Bennett, Diamond Jones, Blake G. Hudson, Joshua Melendez-Rivera, Robert Hamers, Sara E. Mason
Version undefined posted 05 November 2019
Posted
Nov 05, 2019
10.26434/chemrxiv.10046276.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Nitrene Transfer Catalyzed by a Non-Heme Iron Enzyme and Enhanced by Non-Native Small-Molecule Cofactors

, Authors: Nathaniel Goldberg, Anders M. Knight, Ruijie Zhang, Frances H. Arnold
Version undefined posted 05 November 2019
Posted
Nov 05, 2019
10.26434/chemrxiv.10062044.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Directed Evolution of an Feᴵᴵ-Dependent Halogenase for Asymmetric C(sp³)-H Chlorination

, Authors: Sabine Duewel, Luca Schmermund, Tabea Faber, Klaus Harms, Vasundara Srinivasan, Eric Meggers, Sabrina Hoebenreich
Version undefined posted 05 November 2019
Posted
Nov 05, 2019
10.26434/chemrxiv.10087298.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Application of Amino Transaminases in a Disperse System for the Biotransformation of Hydrophobic Substrates

, Authors: Andrea Fiorati, Per Berglund, maria humble, Davide Tessaro
Version undefined posted 05 November 2019
Posted
Nov 05, 2019
10.26434/chemrxiv.10087331.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating Electrode Flooding in a Flowing Electrolyte, Gas-Fed Carbon Dioxide Electrolyzer

, Authors: McLain Leonard, Lauren E. Clarke, Antoni Forner-Cuenca, Steven M. Brown, Fikile Brushett
Version undefined posted 05 November 2019
Posted
Nov 05, 2019
10.26434/chemrxiv.9807989.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Supramolecular Polymerization Provides Non-Equilibrium Product Distributions of Imine-Linked Macrocycles

, Authors: Michael Strauss, Austin Evans, Ioannina Castano, Rebecca Li, William Dichtel
Version undefined posted 06 November 2019
Posted
Nov 06, 2019
10.26434/chemrxiv.10093610.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Coibamide A Targets Sec61 to Prevent Biogenesis of Secretory and Membrane Proteins

, Authors: Dale Tranter, Anja Paatero, Shinsaku Kawaguchi, Soheila Kazemi, Jeffrey D. Serrill, Juho Kellosalo, Walter K. Vogel, Uwe Richter, Christopher C. Thornburg, Shinya Oishi, Kerry L. McPhail, Jane E. Ishmael, Ville Paavilainen
Version undefined posted 06 November 2019
Posted
Nov 06, 2019
10.26434/chemrxiv.10092182.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Phase Dependent Encapsulation and Release Profile of ZIF-Based Biocomposites

, Authors: Francesco Carraro, Miriam Velasquez, Efwita Astria, Weibin Liang, liam Twight, chiara parise, meng ge, Zhehao Huang, Raffaele Ricco, Xiaodong Zou, laura villanova, C. Oliver Kappe, Christian Doonan, paolo falcaro
Version undefined posted 06 November 2019
Posted
Nov 06, 2019
10.26434/chemrxiv.10059935.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Biradical Formation by Deprotonation in Thiazole-Derivatives: The Hidden Nature of Dasatinib

, Authors: Carlos Heras, Daniel Reta, Rosendo Valero, Guillermo Albareda, Nicholas Chilton, Alistair Fielding, Iberio de P. R Moreira, Josep Maria Bofill, Francisco Lopez Calahorra
Version undefined posted 06 November 2019
Posted
Nov 06, 2019
10.26434/chemrxiv.10101419.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Making Soup: Preparing and Validating Molecular Simulations of the Bacterial Cytoplasm

, Authors: Leandro Oliveira Bortot, Zahedeh Bashardanesh, David van der Spoel
Version undefined posted 06 November 2019
Posted
Nov 06, 2019
10.26434/chemrxiv.10102289.v1
 
Subject: Politics and International Relations
,
Poster
, Title:

Spatial Analysis of Social Capital based on Geocoding of Civil Lawsuits

, Authors: Sheng Ye
Version undefined posted 06 November 2019
Posted
Nov 06, 2019
10.33774/apsa-2019-l498p
 
Subject: Chemistry
,
Working Paper
, Title:

Automated Platform for Cell Selection and Separation Based on Four-Dimensional Motility and Matrix Degradation

, Authors: Hannah Nowotarski, Pete Attayek, Nancy Allbritton
Version undefined posted 06 November 2019
Posted
Nov 06, 2019
10.26434/chemrxiv.10108697.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Convergent Synthesis of Trisubstituted Tetrahydrofurans via Bis-Thermally Reactive 1,5-Diene-Tert-Butyl Carbonates.

, Authors: Alex Grenning, Fabien Emmetiere
Version undefined posted 06 November 2019
Posted
Nov 06, 2019
10.26434/chemrxiv.10110536.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling Eu2+ Substitution towards a Narrow-Band Green-Emitting Borate Phosphor NaBaB9O15:Eu2+

, Authors: Ya Zhuo, Jiyou Zhong, Jakoah Brgoch
Version undefined posted 06 November 2019
Posted
Nov 06, 2019
10.26434/chemrxiv.10110773.v1
 
Subject: Chemistry
,
Working Paper
, Title:

The Influence of Polarization on the Spectral Density

, Authors: Tim Zuehlsdorff, Hanbo Hong, Liang Shi, Christine Isborn
Version undefined posted 06 November 2019
Posted
Nov 06, 2019
10.26434/chemrxiv.10110998.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Binding Affinity of an Intrinsically Disordered Protein by α-Methylation of Key Amino Acid Residues

, Authors: Valentin Bauer, Boris Schmidtgall, Gergő Gógl, Jozica Dolenc, Judit Osz, Yves Nominé, Camille Kostmann, Alexandra Cousido-Siah, André Mitschler, Natacha Rochel, Gilles Travé, Bruno Kieffer, Vladimir Torbeev
Version undefined posted 06 November 2019
Posted
Nov 06, 2019
10.26434/chemrxiv.10113128.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Analysis of Benzenoid Substitution Patterns in Small Molecule Active Pharmaceutical Ingredients

, Authors: Aleksandra Nilova, David Stuart
Version undefined posted 06 November 2019
Posted
Nov 06, 2019
10.26434/chemrxiv.10115483.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Is There a Gender Gap in Chemical Sciences Scholarly Communication?

, Authors: Aileen Day, Peter Corbett, John Boyle
Version undefined posted 06 November 2019
Posted
Nov 06, 2019
10.26434/chemrxiv.10115936.v1
 
Subject: Chemistry
,
Working Paper
, Title:

PET-RAFT Facilitated 3D Printing of Polymeric Materials

, Authors: Ali Bagheri, Chris Bainbridge, Kyle Edward Engel, GREG QIAO, Jiangtao Xu, Cyrille Boyer, Jianyong Jin
Version undefined posted 06 November 2019
Posted
Nov 06, 2019
10.26434/chemrxiv.10116122.v1
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Comparative Politics of Circumcision Bans in Western Europe: A Causal Narrative

, Authors: Sener Akturk
Version undefined posted 07 November 2019
Posted
Nov 07, 2019
10.33774/apsa-2019-d0gw1
 
Subject: Chemistry
,
Working Paper
, Title:

Cr(II) and Cr(I) PCP Pincer Complexes: Synthesis, Structure, and Catalytic Reactivity

, Authors: Daniel Himmelbauer, Berthold Stöger, Luis F. Veiros, Marc Pignitter, Karl Kirchner
Version undefined posted 07 November 2019
Posted
Nov 07, 2019
10.26434/chemrxiv.10116692.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling Supramolecular Plasticity through Stoichiometry

, Authors: David Komaromy, Theodora Tiemersma-Wegman, Johan Kemmink, Giuseppe Portale, Friso Aalbers, Ivana Marić, Guillermo Monreal Santiago, Jim Ottelé, Ankush Sood, Vittorio Saggiomo, Bin Liu, Pieter van der Meulen, Sijbren Otto
Version undefined posted 07 November 2019
Posted
Nov 07, 2019
10.26434/chemrxiv.10117343.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Structure and Stability of Cun Clusters (N = 1-4) Adsorbed on Stoichiometric and Defective 2D MoS2

, Authors: Cara-Lena Nies, Michael Nolan
Version undefined posted 07 November 2019
Posted
Nov 07, 2019
10.26434/chemrxiv.10118324.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Generating Customized Compound Libraries for Drug Discovery with Machine Intelligence

, Authors: Michael Moret, Lukas Friedrich, Francesca Grisoni, Daniel Merk, Gisbert Schneider
Version undefined posted 07 November 2019
Posted
Nov 07, 2019
10.26434/chemrxiv.10119299.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Sweet Galactose Transfer – Metabolic Oligosaccharide Engineering as a Tool to Study Glycans in Plasmodium Infection

, Authors: Annabel Kitowski, Gonçalo Bernardes
Version undefined posted 07 November 2019
Posted
Nov 07, 2019
10.26434/chemrxiv.10119302.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Double-Emulsion Copolyester Microcapsules for Sustained Intraperitoneal Release of Carboplatin

, Authors: Aneta Cymbaluk-Płoska, Peter Sobolewski, Anita Chudecka-Głaz, Ewa Wiśniewska, Joanna Łapczuk, Marcin Frankowski, Marek Droździk, Miroslawa El Fray
Version undefined posted 07 November 2019
Posted
Nov 07, 2019
10.26434/chemrxiv.9911636.v2
 
Subject: Chemistry
,
Working Paper
, Title:

The ABCs (and Ds) of Class I Terpene Cyclase (αC), Trans- Head-to-Tail (αHT) and Head-to-Head (αHH) Prenyltransferase Structures and Mechanisms of Action

, Authors: Chun-Chi Chen, Satish Malwal, Xu Han, Weidong Liu, Lixin Ma, Chao Zhai, Longhai Dai, Jian-Wen Huang, Alli Shillo, Janish Desai, Xianqiang Ma, Yonghui Zhang, Rey-Ting Guo, Eric Oldfield
Version undefined posted 07 November 2019
Posted
Nov 07, 2019
10.26434/chemrxiv.10122638.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorine Mass Balance and Suspect Screening in Marine Mammals from the Northern Hemisphere

, Authors: Kyra Spaan, Carmen van Noordenburg, Merle Plassmann, Lara Schultes, Susan D. Shaw, Michelle Berger, Mads Peter Heide-Jørgensen, Aqqalu Rosing-Asvid, Sandra Granquist, Rune Dietz, Christian Sonne, Frank Rigét, Anna Roos, Jonathan Benskin
Version undefined posted 07 November 2019
Posted
Nov 07, 2019
10.26434/chemrxiv.10128653.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Boosting Solar Steam Generation by Using AIE Photothermal Molecule-Doped 3D Nanofibrous Aerogel with Self-Pumping Water Function

, Authors: Haoxuan Li, Haifei Wen, Jie Li, Jiachang Huang, Dong Wang, Ben Zhong Tang
Version undefined posted 07 November 2019
Posted
Nov 07, 2019
10.26434/chemrxiv.10172969.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Modeling the OH-Initiated Oxidation of Mercury in the Global Atmosphere Without Violating Physical Laws

, Authors: Theodore Dibble, Hanna Tetu, yuge jiao, Colin Thackray, Daniel J. Jacob
Version undefined posted 07 November 2019
Posted
Nov 07, 2019
10.26434/chemrxiv.10062161.v2
 
Subject: Chemistry
,
Working Paper
, Title:

The Devil in the Details: What Everybody Should Know When Running DFT Calculations

, Authors: Pierpaolo Morgante, Roberto Peverati
Version undefined posted 07 November 2019
Posted
Nov 07, 2019
10.26434/chemrxiv.10187756.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Para-Selective Borylation of Monosubstituted Benzenes Using a Transient Mediator

, Authors: Jie Wu, Zengwei Wang, Xiao-Yue Chen, Yichen Wu, Daoming Wang, Qian Peng, Peng Wang
Version undefined posted 07 November 2019
Posted
Nov 07, 2019
10.26434/chemrxiv.8148725.v3
 
Subject: Chemistry
,
Working Paper
, Title:

The Isolation of Pyrroloformamide Congeners and Characterization of Its Biosynthetic Gene Cluster from Streptomyces sp. CB02980 Revealed a Unified Mechanism for Dithiolopyrrolone Biosynthesis

, Authors: Wenqing Zhou, Haoyu Liang, Xiangjing Qin, Danfeng Cao, Xiangcheng Zhu, Jianhua Ju, Ben Shen, Yanwen Duan, Yong Huang
Version undefined posted 07 November 2019
Posted
Nov 07, 2019
10.26434/chemrxiv.10208717.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Chemi-Structural Stabilization of Formamidinium Lead Iodide Perovskite by Using Embedded Quantum Dots for High-Performance Solar Cells

, Authors: Sofia Masi, Carlos Echeverría-Arrondo, Salim K.P. Muhammed, Thi Tuyen Ngo, Perla F. Méndez, Eduardo López-Fraguas, David F. Macias-Pinilla, Josep Planelles, Juan I. Climente, Iván Mora-Seró
Version undefined posted 08 November 2019
Posted
Nov 08, 2019
10.26434/chemrxiv.10236950.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Light-Addressable Electrochemical Sensing of Dopamine Using on N-Silicon/gold Schottky Junctions

, Authors: Irina Terrero Rodriguez, Alexandra J. Borrill, Glen O'Neil
Version undefined posted 08 November 2019
Posted
Nov 08, 2019
10.26434/chemrxiv.10246820.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Size matters: Size Dependency of Gold Nanoparticles Interacting with Model Membranes

, Authors: Claudia Contini, James W. Hindley, Tom Macdonald, Joseph Barritt, Oscar Ces, Nick Quirke
Version undefined posted 08 November 2019
Posted
Nov 08, 2019
10.26434/chemrxiv.10246928.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Fast and Quantitative Phospholipidomic Analysis of SH-SY5Y Neuroblastoma Cell Cultures Using LC-MS/MS and 31P NMR

, Authors: Martin Jakubec, Espen Bariås, Fedor Kryuchkov, Linda Veka Hjørnevik, Øyvind Halskau
Version undefined posted 08 November 2019
Posted
Nov 08, 2019
10.26434/chemrxiv.9626492.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob’s Ladder

, Authors: Timothy Duignan, Gregory K. Schenter, John Fulton, Thomas huthwelker, mahalingam balasubramanian, Mirza Galib, Marcel D. Baer, Jan Wilhelm, Jürg Hutter, Mauro Del Ben, Xiu Song Zhao, Christopher J. Mundy
Version undefined posted 08 November 2019
Posted
Nov 08, 2019
10.26434/chemrxiv.7466426.v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Dual signal On-Off Fluorescent Nanosensor for the Simultaneous Detection of Copper and Creatinine

, Authors: Resmi V Nair, Parvathy R S, Jayasree Ramapurath S
Version undefined posted 08 November 2019
Posted
Nov 08, 2019
10.26434/chemrxiv.10247081.v1
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Who Should Decide the Party’s Nominee? Understanding Public Attitudes Toward Primary Elections

, Authors: Zachary Albert, Raymond La Raja
Version undefined posted 12 November 2019
Posted
Nov 12, 2019
10.33774/apsa-2019-6dvc8
 
Subject: Chemistry
,
Working Paper
, Title:

A Molecular Computing Approach to Solving Optimization Problems via Programmable Microdroplet Arrays

, Authors: Si Yue Guo, Pascal Friederich, Yudong Cao, Tony Wu, Christopher Forman, Douglas Mendoza, Matthias Degroote, Andrew Cavell, Veronica Krasecki, Riley Hickman, Abhishek Sharma, Leroy Cronin, Nathan Gianneschi, Randall Goldsmith, Alan Aspuru-Guzik
Version undefined posted 12 November 2019
Posted
Nov 12, 2019
10.26434/chemrxiv.10250897.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling Gas Selectivity in Molecular Porous Liquids by Tuning the Cage Window Size

, Authors: Benjamin Egleston, Konstantin V. Luzyanin, Michael C. Brand, Rob Clowes, Michael E. Briggs, Rebecca L. Greenaway, Andrew I. Cooper
Version undefined posted 12 November 2019
Posted
Nov 12, 2019
10.26434/chemrxiv.10247528.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the Influence of Manufacturing and Material Parameters on the Mechanical Properties of Polymer-Clay Composites: An Exploratory Statistical Analysis

, Authors: Natasha Botha, Roelof Coetzer, helen inglis, johan labuschagne
Version undefined posted 12 November 2019
Posted
Nov 12, 2019
10.26434/chemrxiv.10247522.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Cyclization of Alkenyl Thioester via Transition Metal‐hydrogen Atom Transfer/radical‐polar Crossover Mechanism

, Authors: Shiori Date, Kensei Hamasaki, Karen Sunagawa, Hiroki Koyama, Chikayoshi Sebe, Kou Hiroya, Hiroki Shigehisa
Version undefined posted 12 November 2019
Posted
Nov 12, 2019
10.26434/chemrxiv.10247813.v1
 
Subject: Chemistry
,
Working Paper
, Title:

On the design of precision nanomedicines

, Authors: Xiaohe Tian, Stefano Agioletti-Uberti, Giuseppe Battaglia
Version undefined posted 12 November 2019
Posted
Nov 12, 2019
10.26434/chemrxiv.5647969.v4
 
Subject: Chemistry
,
Working Paper
, Title:

Fragment Pose Prediction Using Non-Equilibrium Candidate Monte Carlo and Molecular Dynamics Simulations

, Authors: Nathan M. Lim, Meghan Osato, Gregory L. Warren, David L. Mobley
Version undefined posted 12 November 2019
Posted
Nov 12, 2019
10.26434/chemrxiv.10032218.v2
 
Subject: Chemistry
,
Working Paper
, Title:

A General Techno-Economic Model for Evaluating Emerging Electrolytic Processes

, Authors: Michael Orella, Steven M. Brown, McLain Leonard, Yuriy Román-Leshkov, Fikile Brushett
Version undefined posted 12 November 2019
Posted
Nov 12, 2019
10.26434/chemrxiv.9722528.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Bacterial Peptidoglycan Stapling with Functionalized D-Amino Acids

, Authors: Sylvia L. Rivera, Akbar Espaillat, Arjun K. Aditham, Peyton Shieh, Chris Muriel-Mundo, Justin Kim, Felipe Cava, M. Sloan Siegrist
Version undefined posted 12 November 2019
Posted
Nov 12, 2019
10.26434/chemrxiv.10248764.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Radiolysis Generates a Complex Organosynthetic Chemical Network

, Authors: Zachary Adam, Albert C. Fahrenbach, Sofia Marie Jacobson, Betul Kacar, Dmitry Yu. Zubarev
Version undefined posted 13 November 2019
Posted
Nov 13, 2019
10.26434/chemrxiv.10148684.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of Axially-Chiral Cannabinols: A New Platform for Cannabinoid-Based Drug Discovery

, Authors: Primali Navaratne, Jenny Wilkerson, Kavindri Ranasinghe, Evgeniya Semenova, Lance McMahon, Adrian Roitberg, Ion Ghivirga, Alex Grenning
Version undefined posted 13 November 2019
Posted
Nov 13, 2019
10.26434/chemrxiv.10251035.v1
 
Subject: Chemistry
,
Working Paper
, Title:

An Amphiphilic Polymer-Supported Strategy Enables Chemical Transformations Under Anhydrous Conditions for DNA-Encoded Library Synthesis

, Authors: Yves Ruff, Roberto Martinez, Xavier Pellé, Pierre Nimsgern, Pascale Fille, Maxim Ratnikov, Frederic Berst
Version undefined posted 13 November 2019
Posted
Nov 13, 2019
10.26434/chemrxiv.8174864.v5
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of Water Contamination on the SEI Formation in Li-Ion Cells: An Operando EQCM-D Study

, Authors: Paul Kitz, Petr Novák, Erik Berg
Version undefined posted 13 November 2019
Posted
Nov 13, 2019
10.26434/chemrxiv.10255580.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Orbital Shaped Standing Waves Using Chladni Plates

, Authors: Eric Janusson, Johanne Penafiel, Andrew Macdonald, Shaun MacLean, Irina Paci, J Scott McIndoe
Version undefined posted 13 November 2019
Posted
Nov 13, 2019
10.26434/chemrxiv.10255838.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Trace Analysis of Heavy Metals (Cd, Pb, Hg) Using 3D Printed graphene/PLA Composite Electrodes

, Authors: John Walters, Shakir Ahmed, Irina Terrero Rodriguez, Glen O'Neil
Version undefined posted 13 November 2019
Posted
Nov 13, 2019
10.26434/chemrxiv.10255859.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmark of Simplified Time-Dependent Density Functional Theory for UV-Vis Spectral Properties of Porphyrinoids

, Authors: Kamal Batra, Stefan Zahn, Thomas Heine
Version undefined posted 13 November 2019
Posted
Nov 13, 2019
10.26434/chemrxiv.9912860.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Magnesium-Accelerated Maillard Reactions Drive Differences in Adjunct and All-Malt Brewing

, Authors: Isaac Omari, Hannah Charnock, Alexa Fugina, Euan Thomson, J Scott McIndoe
Version undefined posted 13 November 2019
Posted
Nov 13, 2019
10.26434/chemrxiv.10257686.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Probing the Complex Loading Dependent Structural Changes in Ultra-High Drug Loaded Polymer Micelles by Small-Angle Neutron Scattering

, Authors: Benedikt Sochor, Özgür Düdückcü, Michael M Lübtow, Bernhard Schummer, Sebastian Jaksch, Robert Luxenhofer
Version undefined posted 13 November 2019
Posted
Nov 13, 2019
10.26434/chemrxiv.10259552.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Experimental and Topological Determination of the Pressure-Temperature Phase Diagram of Racemic Etifoxine, a Pharmaceutical Ingredient with Anxiolytic Properties

, Authors: Maria Barrio, Hassan Allouchi, Josep-Lluis Tamarit, René Céolin, L Berthon-Cédille, Ivo Rietveld
Version undefined posted 13 November 2019
Posted
Nov 13, 2019
10.26434/chemrxiv.10260353.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Exchange-Biasing in a Dinuclear Dysprosium(III) Single-Molecule Magnet with a Large Energy Barrier for Magnetization Reversal

, Authors: Tian Han, Marcus J. Giansiracusa, Zi-Han Li, You-Song Ding, Nicholas F. Chilton, Richard E. P. Winpenny, Yan-Zhen Zheng
Version undefined posted 13 November 2019
Posted
Nov 13, 2019
10.26434/chemrxiv.10260494.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Aryloxy Triester Phosphoramidates as Phosphoserine Biocleavable Masking Motifs

, Authors: Ageo Miccoli, Binar A. Dhiani, Peter J. Thornton, Olivia A. Lambourne, Edward James, Hachemi Kadri, Youcef Mehellou
Version undefined posted 13 November 2019
Posted
Nov 13, 2019
10.26434/chemrxiv.10260887.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction of Homolytic Bond Dissociation Enthalpies for Organic Molecules at near Chemical Accuracy with Sub-Second Computational Cost

, Authors: Peter St. John, Yanfei Guan, Yeonjoon Kim, Seonah Kim, Robert Paton
Version undefined posted 15 November 2019
Posted
Nov 15, 2019
10.26434/chemrxiv.10052048.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Thermal Atomic Layer Deposition of Gold Nanoparticles: Controlled Growth and Size Selection for Photocatalysis

, Authors: Fatemeh Sadat Minaye Hashemi, Fabio Grillo, Vikram Ravikumar, dominik Benz, Ankit Shekhar, Matt Griffiths, Sean Barry, J. Ruud van Ommen
Version undefined posted 15 November 2019
Posted
Nov 15, 2019
10.26434/chemrxiv.10262912.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Free Energy Perturbation Approach to Estimate the Intrinsic Solubilities of Drug-like Small Molecules

, Authors: Sayan Mondal, Gary Tresadern, Jeremy Greenwood, Byungchan Kim, Joe Kaus, Matt Wirtala, Thomas Steinbrecher, Lingle Wang, Craig Masse, Ramy Farid, Robert Abel
Version undefined posted 15 November 2019
Posted
Nov 15, 2019
10.26434/chemrxiv.10263077.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Using Machine Learning to Estimate Concentrations of Non-Targeted Chemicals Without Analytical Standards

, Authors: Dimitri Abrahamsson, June-Soo Park, Marina Sirota, Tracey Woodruff
Version undefined posted 15 November 2019
Posted
Nov 15, 2019
10.26434/chemrxiv.10263296.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Sterically Controlled C‒H Olefination of Heteroarenes

, Authors: Hao Chen, Mirxan Farizyan, Francesca Ghiringhelli, Manuel van Gemmeren
Version undefined posted 15 November 2019
Posted
Nov 15, 2019
10.26434/chemrxiv.10099058.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Lithium Ion Conduction in Cathode Coating Materials from On-the-Fly Machine Learning

, Authors: Chuhong Wang, Koutarou Aoyagi, Pandu Wisesa, Tim Mueller
Version undefined posted 15 November 2019
Posted
Nov 15, 2019
10.26434/chemrxiv.10265639.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Contrasting Arene, Alkene, Diene, and Formaldehyde Hydrogenationin H-ZSM-5, H-SSZ-13, and H-SAPO-34 Zeolite Frameworks during MTO

, Authors: Mykela DeLuca, Christina Janes, David Hibbitts
Version undefined posted 15 November 2019
Posted
Nov 15, 2019
10.26434/chemrxiv.9725948.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Tandem Deoxygenative Hydrosilation of Carbon Dioxide with a Cationic Scandium Hydridoborate and B(C6F5)3

, Authors: Daniel W. Beh, Warren Piers, Benjamin S. Gelfand, Jian-Bin Lin
Version undefined posted 15 November 2019
Posted
Nov 15, 2019
10.26434/chemrxiv.10267739.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Towards Quaternary Alloy Au-Pd Catalysts For Direct Synthesis of Hydrogen Peroxide

, Authors: Conor T. Waldt, Sahithi Ananthaneni, Rees Rankin
Version undefined posted 15 November 2019
Posted
Nov 15, 2019
10.26434/chemrxiv.10262744.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic Resonance Theory: Parallel Reaction Pathway Control

, Authors: M. Alexander Ardagh, Manish Shetty, Anatoliy Kuznetsov, Qi Zhang, Phillip Christopher, Dionisios Vlachos, Omar Abdelrahman, Paul Dauenhauer
Version undefined posted 15 November 2019
Posted
Nov 15, 2019
10.26434/chemrxiv.10271090.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Ab initio Molecular Dynamics of CdSe Quantum Dots Doped Glasses

, Authors: Wenke Li, Xiujian Zhao, Chao Liu, François-Xavier Coudert
Version undefined posted 15 November 2019
Posted
Nov 15, 2019
10.26434/chemrxiv.10272041.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Infra-Red Assisted Synthesis of Prebiotic Glycine

, Authors: Debora Scuderi, Ariel F. Perez-Mellor, Joël Lemaire, Suvasthika Indrajith, Jean-Xavier Bardaud, Antonio Largo, Yannick Jeanvoine, Riccardo Spezia
Version undefined posted 15 November 2019
Posted
Nov 15, 2019
10.26434/chemrxiv.10275917.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Molar Volume Mismatch: A Malefactor for Irregular Metallic Electrodeposition in Solid Electrolytes

, Authors: Aashutosh Mistry, Partha P. Mukherjee
Version undefined posted 17 November 2019
Posted
Nov 17, 2019
10.26434/chemrxiv.10266635.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Isoperibolic Calorimetry for D2O Electrolysis

, Authors: Melvin Miles
Version undefined posted 17 November 2019
Posted
Nov 17, 2019
10.26434/chemrxiv.10269713.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Strain Induced Tunability of the Electronic Properties of SrTiO3 Interfaces

, Authors: Zhenyun Lan, Tejs Vegge, Ivano E. Castelli
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10119230.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Visualization of Very Large High-Dimensional Data Sets as Minimum Spanning Trees

, Authors: Daniel Probst, Jean-Louis Reymond
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.9698861.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Framework for a Systematic Investigation of Anionic Redox Process in Li-Rich Compounds

, Authors: Alexander Tygesen, Jinhyun Chang, Tejs Vegge, Juan Maria García Lastra
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10272647.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Amorphous Carbon Against Reduced Graphene Oxide in Li- and Na-Ion Electrochemical Storage Devices: The Case of Nb2O5

, Authors: Xianying Han, Patrícia Russo, Claudia Triolo, Saveria Santangelo, Nicolas Goubard-Bretesché, Nicola Pinna
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10274408.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A New Data-Driven Interacting-Defect Model Describing Nanoscopic Grain Boundary Compositions in Ceramics

, Authors: xiaorui tong, William Bowman, Alejandro Mejia-Giraldo, Peter Crozier, David Mebane
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10277651.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Spatially Resolving Anharmonic Lattice Dynamics in Molecular Crystals With X-Ray Diffraction and Terahertz Spectroscopy

, Authors: Martin Hutereau, Peter Banks, Ben Slater, J. Axel Zeitler, Andrew Bond, Michael Ruggiero
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10277783.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Universal Score for Deconvolution of Intact Protein and Native Electrospray Mass Spectra

, Authors: Michael Marty
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10278041.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Nanomaterials Synthesis Insights from Machine Learning of Scientific Articles by Extracting, Structuring, and Visualizing Knowledge

, Authors: Anna Hiszpanski, Brian Gallagher, Karthik Chellapan, Peggy Li, Shusen Liu, Hyojin Kim, Jinkyu Han, Bhavya Kailkhura, David Buttler, Yong Han
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10278164.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Rotaxanes with Dynamic Mechanical Chirality: Systematic Studies on Synthesis, Optical Resolution, Racemization, and Chiral-Prochiral Interconversion

, Authors: Fumitaka Ishiwari, Toshikazu Takata
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10279208.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of Metabolic Constraints on the Observable Isotope Fractionation Associated with Aerobic Biodegradation of Hexachlorocyclohexanes

, Authors: Iris E. Schilling, Hans-Peter E. Kohler, Thomas Hofstetter
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10279283.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Styrene Copolymerization of Novel Fluoro and Oxy Ring-Disubstituted Isopropyl Phenylcyanoacrylates

, Authors: Abby R. Krause, Haley E. Aynessazian, Monica C. Gonzalez, Adnan M. Khan, Lara R. Lieberman, Meghan H. McNicholas, Nina M. Pelsi, Zachary S. Pierard, Sara M. Rocus, William S. Schjerven, Gregory Kharas
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10279751.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Rotatory Response of Molecular Electron Momentum Densities in Linear, Homogeneous Weak Electric Fields : A Topographical Analysis

, Authors: Mishu Paul, Rajeev Pathak, Balanarayan Pananghat
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10280339.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Increasing the Cytotoxicity of Ru(II) Polypyridyl Complexes by Tuning the Electronic Structure of Dioxo Ligands

, Authors: Anna Notaro, Marta Jakubaszek, Nils Rotthowe, Federica Maschietto, Patrick Felder, Bruno Goud, Mickaël Tharaud, Ilaria Ciofini, Fethi Bedioui, Rainer F. Winter, Gilles Gasser
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10280507.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Autonomous Discovery of Battery Electrolytes with Robotic Experimentation and Machine-Learning

, Authors: Adarsh Dave, Jared Mitchell, Kirthevasan Kandasamy, Sven Burke, Biswajit Paria, Barnabas Poczos, Jay Whitacre, Venkatasubramanian Viswanathan
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10282112.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Read and Quantify Damage Nucleotide from an Oligonucleotide Using a Single Molecule Interface

, Authors: Jiajun Wang, Meng-Yin Li, Jie Yang, Ya-Qian Wang, Xue-Yuan Wu, Jin Huang, Yi-Lun Ying, Yi-Tao Long
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10080638.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Exchange-Correlation Energy Densities and Response Potentials: Connection Between Two Definitions and Analytical Model for the Strong-Coupling Limit of a Stretched Bond

, Authors: S. Giarrusso, Paola Gori-Giorgi
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10283678.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Inverse Thermogelation of Aqueous Triblock Copolymer Solutions into Macroporous Shear-Thinning 3D Printable Inks

, Authors: Lukas Hahn, Matthias Maier, Philipp Stahlhut, Matthias Beudert, Alexander Altmann, Fabian Töppke, Tessa Lühmann, Robert Luxenhofer
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10283990.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Dearomative Photocatalytic Construction of Bridged 1,3-Diazepanes

, Authors: Jamie Leitch, Tatiana Rogova, Fernanda Duarte, Darren J. Dixon
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10284104.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Lysosome Targeting Chimeras (LYTACs) for the Degradation of Secreted and Membrane Proteins

, Authors: Steven Banik, Kayvon Pedram, Simon Wisnovsky, Nicholas Riley, Carolyn Bertozzi
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.7927061.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Biomass Valorization on Gold-Metal Oxide Nanoscale Heterojunctions Enables Investigation of both Catalyst and Reaction Dynamics with Operando Surface-Enhanced Raman Spectroscopy

, Authors: Nina Heidary, Nikolay Kornienko
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10287534.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-Based Design of a Macrocyclic PROTAC

, Authors: Andrea Testa, Scott J. Hughes, Xavier Lucas, Jane E. Wright, Alessio Ciulli
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.8967941.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Scalable Approach to High Coverages on Oxides via Iterative Training of a Machine-Learning Algorithm

, Authors: Andrew Medford, Shengchun Yang, Fuzhu Liu
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10288514.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Engineering Strategies for Symmetric Aqueous Organic Redox Flow Batteries

, Authors: Rocco Peter Fornari, Murat Mesta, Johan Hjelm, Tejs Vegge, Piotr de Silva
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10288553.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Droplet Factories: Synthesis and Assembly of Silver and Palladium Nanoparticles at the Liquid-Liquid Interface

, Authors: Suchanuch Sachdev, Rhushabh Maugi, Sam Davis, Scott Doak, Zhaoxia Zhou, Mark Platt
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10288556.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Opening up Connectivity Between Documents, Structures and Bioactivity

, Authors: Christopher Southan
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.26434/chemrxiv.10295546.v1
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Hate Gets Under The Skin- Cohesive Identity and Stopping the Murders in Mesopotamia

, Authors: Christopher Binetti
Version undefined posted 20 November 2019
Posted
Nov 20, 2019
10.33774/apsa-2019-b0gjh
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Specific, Fluorescent Cannabinoid Type 2 Receptor Probes Enable Applications in Microscopy, Flow Cytometry and FRET-based Binding Assays

, Authors: Roman Sarott, Matthias Westphal, Patrick Pfaff, Claudia Korn, David Sykes, Gazzi, Thais, Benjamin Brennecke, Kenneth Atz, Marie Weise, Yelena Mostinski, Pattarin Hompluem, Tamara Miljuš, Nicolas Roth, Hermon Asmelash, Man Vong, 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, 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 J. McCormick, Christoph Ullmer, Sergio Oddi, Mauro Maccarrone, Dmitry B. Veprintsev, Marc Nazare, Uwe Grether, Erick Carreira
Version undefined posted 22 November 2019
Posted
Nov 22, 2019
10.26434/chemrxiv.10288547.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Drug Derived Fluorescent Probes for the Specific Visualization of Cannabinoid Type 2 Receptor - A Toolbox Approach

, Authors: Gazzi, Thais, Benjamin Brennecke, Kenneth Atz, Claudia Korn, David Sykes, Roman C. Sarott, Matthias V. Westphal, Patrick Pfaff, Marie Weise, Yelena Mostinski, Bradley L. Hoare, Tamara Miljuš, Maira Mexi, Wolfgang Guba, André Anker, 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, Faye Drawnel, Gabriella Widmer, Daniela Holzer, Tom van der Wel, Harpreet Mandhair, Yurii Saroz, Natasha Grimsey, Michael Honer, Jürgen Fingerle, Klaus Gawrisch, Julian Romero, Cecilia J. Hillard, Peter J. McCormick, Zoltan V. Varga, Mario van der Stelt, Pal Pacher, Jürg Gertsch, Christoph Ullmer, Sergio Oddi, Mauro Maccarrone, Dmitry B. Veprintsev, Erick M. Carreira, Uwe Grether, Marc Nazare
Version undefined posted 22 November 2019
Posted
Nov 22, 2019
10.26434/chemrxiv.10283027.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Vitisin A & D: Thermal Isomerization Enabled by a Persistent Radical Equilibrium

, Authors: Kevin Romero, Mitchell Keylor, Markus Griesser, Xu Zhu, Ethan Strobel, Derek Pratt, Corey Stephenson
Version undefined posted 22 November 2019
Posted
Nov 22, 2019
10.26434/chemrxiv.10294826.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Using FRET to Measure the Time it Takes for a Cell to Destroy a Virus

, Authors: Candace E. Benjamin, Zhuo Chen, Olivia Brohlin, Hamilton Lee, Stefanie Boyd, Duane Winkler, Jeremiah J. Gassensmith
Version undefined posted 22 November 2019
Posted
Nov 22, 2019
10.26434/chemrxiv.10299164.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Covalently Tethered Rhodamine Voltage Reporters for High Speed Functional Imaging in Brain Tissue

, Authors: Parker Deal, Pei Liu, Sarah Al-Abdullatif, Vikram Muller, Kiarash Shamardani, Hillel Adesnik, Evan Miller
Version undefined posted 22 November 2019
Posted
Nov 22, 2019
10.26434/chemrxiv.10301735.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Strong and Confined Acid Catalysts Impart Stereocontrol onto the Non-Classical 2-Norbornyl Cation

, Authors: Roberta Properzi, Philip S. J. Kaib, Markus Leutzsch, Gabriele Pupo, Raja Mitra, Chandra Kanta De, Peter R. Schreiner, Benjamin List
Version undefined posted 23 November 2019
Posted
Nov 23, 2019
10.26434/chemrxiv.10887914.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A General Approach to Combine the Advantages of Collinear and Non-Collinear Spectrometer Designs in Phase-Resolved Second Order Nonlinear Spectroscopy

, Authors: Tobias Garling, Kramer Campen, Martin Wolf, Martin Thaemer
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10288706.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Tailorable Phase and Structural MnO2 as Electrode for Highly Efficient Hybrid Capacitive Desalination (HCDI)

, Authors: Jie Jin, Man Li, Mengting Tang, Yang Li, Yangyang Liu, Hui Cao, Feihu Li
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10291976.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Solid-State Phase Transformation and Self-Assembly of Amorphous Nanoparticles into Higher-Order Mineral Structures

, Authors: Stanislas Von Euw, Viacheslav Manichev, Margarita Rivers, Nagarajan Murali, Daniel J. Kelly, Paul G Falkowski
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10292759.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemical Doyle-Kirmse Reaction – a Metal-Free Route to Allenes

, Authors: katarzyna Orłowska, Katarzyna Rybicka-Jasińska, Piotr Krajewski, Dorota Gryko
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10293221.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Correlation Length in Concentrated Electrolytes: Insights from All-Atom Molecular Dynamics Simulations

, Authors: Samuel Coles, Chanbum Park, Rohit Nikam, Matej Kanduč, Joachim Dzubiella, Benjamin Rotenberg
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10284266.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Sniff Olfactometry: Temporal effects on odorant mixture perception in humans

, Authors: Kaifeng Ding, Xiaoyuan Wang, Dmitry Rinberg, Terry Acree
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10293395.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Eliciting Student Thinking About Acid-Base Reactions via App and Paper-Pencil Based Problem Solving

, Authors: Michael N. Petterson, Field M. Watts, Emma P. Snyder-White, Sabrina R. Archer, Ginger V. Shultz, Solaire Finkenstaedt-Quinn
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10295228.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Targeted Desialylation Overcomes Glyco-Immune Checkpoints and Potentiates the Anticancer Immune Response in Vivo

, Authors: Melissa Gray, Michal A. Stanczak, Han Xiao, Johan F. A. Pijnenborg, Natália R. Mantuano, Stacy A. Malaker, Payton A. Weidenbacher, Caitlyn L. Miller, Julia T. Tanzo, Green Ahn, Elliot C. Woods, Heinz Läubli, Carolyn Bertozzi
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.8187146.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Steering of de novo Molecular Generation using Descriptor Conditional Recurrent Neural Networks (cRNNs)

, Authors: Panagiotis-Christos Kotsias, Josep Arús-Pous, Hongming Chen, Ola Engkvist, Christian Tyrchan, Esben Jannik Bjerrum
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.9860906.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Overcoming Limitations in Dual Photoredox/Nickel catalyzed C–N Cross-Couplings due to Catalyst Deactivation

, Authors: Sebastian Gisbertz, Susanne Reischauer, Bartholomäus Pieber
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10298735.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Thermal Decomposition Kinetics of Glyphosate (GP) and its Metabolite Aminomethylphosphonic Acid (AMPA)

, Authors: Milad Narimani, Gabriel da Silva
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.9860753.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Improving UV Curing in Lignin-Containing Photopolymers for Stereolithography by Chemical Reduction and Acetylation

, Authors: Jordan T. Sutton, Kalavathy Rajan, David P. Harper, Stephen Chmely
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10299416.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Extension and Evaluation of the D4 London Dispersion Model for Periodic Systems

, Authors: Eike Caldeweyher, Jan-Michael Mewes, Sebastian Ehlert, Stefan Grimme
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10299428.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Bayesian Framework for Adsorption Energy Prediction on Bimetallic Alloy Catalysts

, Authors: Osman Mamun, Kirsten Winther, Jacob Boes, Thomas Bligaard
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10295129.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Electrocatalytic CO2 Reduction to Formate with Molecular Fe(III) Complexes Containing Pendent Proton Relays

, Authors: Asa W. Nichols, Shelby L. Hooe, Joseph S. Kuehner, Diane A. Dickie, Charles Machan
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.9120635.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Unexpected Electron Spin Density on the Axial Methionine Ligand in CuA Suggests Its Involvement in Electron Pathways

, Authors: Marcos N. Morgada, María-Eugenia Llases, Estefania Giannini, María Ana Castro, Pedro M. Alzari, Daniel H. Murgida, María-Natalia Lisa, Alejandro J. Vila
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10295111.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Fast Surface Immobilization of Native Proteins through Metal-Free Amino-yne Click Bioconjugation

, Authors: Yiru Zhang, Jianlei Shen, Rong Hu, Shi Xiujuan, Xianglong Hu, Benzhao He, Anjun Qin, Ben Zhong Tang
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10303412.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Spongidine A, D and Petrosaspongiolide L Methyl Ester Using Pyridine C-H Functionalization

, Authors: Florian Bartels, Manuela Weber, Mathias Christmann
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10303883.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Extension of Frozen Natural Orbital Approximation to Open-Shell References: Theory, Implementation, and Application to Single-Molecule Magnets

, Authors: Pavel Pokhilko, Daniil Izmodenov, Anna I. Krylov
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10308053.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Ultrasound Responsive Carbon Monoxide Releasing Micelle

, Authors: Osamah Alghazwat, Somayeh Talebzadeh, Yi Liao
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10308071.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Effective Lignin-First Fractionation of Softwood Lignocellulose Using a Mild Dimethyl Carbonate Organosolv Process

, Authors: Alessandra De Santi, Maxim Galkin, Ciaran Lahive, Peter Deuss, Katalin Barta
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10310945.v1
 
Subject: Chemistry
,
Working Paper
, Title:

N1-Benzofused Modification of Fluoroquinolones Reduces Activity Against Gram- Negative Bacteria

, Authors: Mark Laws, Charlotte Hind, Andrea Favaron, Shirin Jamshidi, J Mark Sutton, Khondaker Miraz Rahman
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10311686.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Double-Dysprosocenium Single-Molecule Magnet Bound Together with Neutral Ligands

, Authors: Peter Evans, Daniel Reta, Conrad Goodwin, Fabrizio Ortu, Nicholas Chilton, David Mills
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10312304.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of a Small Molecule Probe to Rpn-6, an Essential Subunit of the 26S Proteasome

, Authors: Wenzhi Tian, Darci Trader
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10312373.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Metal Oxide Decorated Porous Carbons from Controlled Calcination of a Metal-Organic Framework

, Authors: Gregory S. Day, Jialuo Li, Elizabeth A. Joseph, Peter Metz, Zachary Perry, Matthew R. Ryder, Katharine Page, Hong-Cai Zhou
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10314374.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Mechanical/Molecular Mechanical investigation of the reduction mechanism of Cysteine Sulfinic acid of Peroxiredoxin via Sulfiredoxin

, Authors: Hisham Dokainish, James Gauld
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10316162.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Approach Choice in Modeling Flexible Enzyme Active Sites

, Authors: Hisham Dokainish, James Gauld
Version undefined posted 25 November 2019
Posted
Nov 25, 2019
10.26434/chemrxiv.10316177.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Bioorthogonal Click Chemistry Toolbox for Targeted Synthesis of Branched and Well-Defined Protein-Protein Conjugates

, Authors: Mathis Baalmann, Laura Neises, Sebastian Bitsch, Hendrik Schneider, Lukas Deweid, Nadja Ilkenhans, Martin Wolfring, Michael J. Ziegler, Philipp Werther, Jonas Wilhelm, Harald Kolmar, Richard Wombacher
Version undefined posted 26 November 2019
Posted
Nov 26, 2019
10.26434/chemrxiv.10743344.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Note of Caution for the Aqueous Behavior of Metal-based Drug Candidates

, Authors: Anna Notaro, Gilles Gasser, Annie Castonguay
Version undefined posted 26 November 2019
Posted
Nov 26, 2019
10.26434/chemrxiv.10344146.v1
 
Subject: Chemistry
,
Working Paper
, Title:

First-Principles Study of the Electrochemical Sodiation of Rutile-Type Vanadium Dioxide

, Authors: Daniel Koch, Sergei Manzhos
Version undefined posted 26 November 2019
Posted
Nov 26, 2019
10.26434/chemrxiv.10317578.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing the Calculation of Exchange Coupling Constants and Spin Crossover Gaps Using the Approximate Projection Model to Improve Density Functional Calculations

, Authors: Xianghai Sheng, Lee Thompson, Hrant Hratchian
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.7976474.v4
 
Subject: Chemistry
,
Working Paper
, Title:

Photoinduced Proton Transfer Reactions for Mild O-H Functionalization Reactions of Unreactive Alcohols

, Authors: Sripati Jana, Zhen Yang, Fang Li, Claire Empel, Junming Ho, Rene Koenigs
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.10317947.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible Oxidative-Addition and Reductive-Elimination of Thiophene from a Titanium Complex and Its Thermally-Induced Hydrodesulfurization Chemistry

, Authors: Alejandra Gomez-Torres, J. Rolando Aguilar-Calderón, Carlos Saucedo, Aldo Jordan, Alejandro J. Metta-Magaña, Balazs Pinter, Skye Fortier
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.10321946.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Enantiomerically Enriched Tetrahydropyridine Allyl Chlorides

, Authors: Sedef Karabiyikoglu, Alexandre Brethomé, Thomas Palacin, Robert Paton, Stephen P. Fletcher
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.8181686.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Can Metal Organic Frameworks Outperform Adsorptive Removal of Harmful Phenolic Compound 2-Chlorophenol by Activated Carbon?

, Authors: Luqman Hakim Mohd Azmi, Daryl R. Williams, Bradley P. Ladewig
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.10320752.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Demystifying and Unravelling the Factual Molecular Structure of the Biopolymer Sporopollenin

, Authors: Abanoub Mikhael, Kristina Jurcic, Celine Schneider, David carr, Gregory L. Fisher, Travis D. Fridgen, Alberto Diego-Taboada, Grahame Mackenzie, JOSEPH BANOUB
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.10059860.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Integrating Disciplines in a Plant Chemistry Laboratory Module to Enhance Interdisciplinary and Scientific Thinking in Undergraduate Students

, Authors: Lucas Busta, Sabrina E. Russo
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.10325984.v1
 
Subject: Chemistry
,
Working Paper
, Title:

The Influence of Ozone: Superstoichiometric Oxygen in Atomic Layer Deposition of Fe2O3 Using tert-Butylferrocene and O3

, Authors: Joel Schneider, Jon Baker, Stacey Bent
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.10413779.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning Reactivity in the Chemical Space Surrounding Vaska's Complex

, Authors: Pascal Friederich, Gabriel dos Passos Gomes, Riccardo De Bin, Alan Aspuru-Guzik, David Balcells
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.10347566.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Ordered Microporous/Macroporous MOF-808 through Modulator-Induced Defect Formation, and Surfactant Self-Assembly Strategies

, Authors: Carolina Ardila-Suárez, Daniel R. Molina V., Halima Alem, Víctor Gabriel Baldovino Medrano, Gustavo E Ramírez-Caballero
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.10316924.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Enantioselective Synthesis of Indazoles with a C3-Quaternary Chiral Center Using CuH Catalysis

, Authors: Yuxuan Ye, Ilia Kevlishvili, Sheng Feng, Peng Liu, Stephen L. Buchwald
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.10324400.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Titanium-Mediated Catalytic Hydrogenation of Monocyclic and Polycyclic Arenes

, Authors: Alejandra Gomez-Torres, J. Rolando Aguilar-Calderón, Angela M. Encerrado-Manriquez, Maren Pink, Alejandro J. Metta-Magaña, Wen-Yee Lee, Skye Fortier
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.10325204.v1
 
Subject: Chemistry
,
Working Paper
, Title:

The Role of H-bonding in Phase Change Materials

, Authors: Karolina Matuszek, R. Vijayaraghavan, Mega Kar, Douglas Macfarlane
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.10325726.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Functional Ionic Porous Frameworks Based on Triaminoguanidinium for CO2 Conversion and Combating Microbes

, Authors: MD. Waseem Hussain, Vipin Bhardwaj, ARKAPRABHA GIRI, Ajit Chande, Abhijit Patra
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.10332431.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Microbe Engineering of Guaia-6,10(14)-diene as a Building Block for the Semisynthetic Production of Plant-Derived (−)-Englerin A

, Authors: Thomas Siemon, Zhangqian Wang, Guangkai Bian, Tobias Seitz, Ziling Ye, Yan Lu, Shu Cheng, Yunkun Ding, Zixin Deng:, Tiangang Liu, Mathias Christmann
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.10333625.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Aroylacetylene Based Amino-Yne Click Polymerization toward Nitrogen Containing Polymers

, Authors: Xu Chen, Rong Hu, Bo Song, Anjun Qin, Ben Zhong Tang
Version undefined posted 27 November 2019
Posted
Nov 27, 2019
10.26434/chemrxiv.10431260.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Light-Powered, yet Chemically Fueled, Dissipative DNA Systems with Transient Lifecycles

, Authors: Jie Deng, Dominik Bezold, Henning J. Jessen, Andreas Walther
Version undefined posted 28 November 2019
Posted
Nov 28, 2019
10.26434/chemrxiv.10453769.v1
 
Subject: Chemistry
,
Working Paper
, Title:

3-Bromotetrazine: A Versatile Precursor for the Synthesis of 3-Monosubstituted s-Tetrazines and the Labelling of Macromolecules

, Authors: Simon Schnell, Lukas Hoff, Advaita Panchagnula, Simon Sieber, Anthony Linden, Karl Gademann
Version undefined posted 28 November 2019
Posted
Nov 28, 2019
10.26434/chemrxiv.10518857.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Capsaicin Entrapment in Metal-Organic Framework Material Derived from γ-Cyclodextrin

, Authors: Gangothri Venkataswamy, Nisha kiran Meena, Kavya K Naik, Nanishankar Harohally
Version undefined posted 28 November 2019
Posted
Nov 28, 2019
10.26434/chemrxiv.10484192.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Trends in the Adsorption of Oxygen and Li2O2 on Transition-metal Carbide Surfaces: A Theoretical Study

, Authors: Polina Tereshchuk, Diana Golodnitsky, Amir Natan
Version undefined posted 28 November 2019
Posted
Nov 28, 2019
10.26434/chemrxiv.10508381.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Incorporating Peptide Aptamers into Resistive Pulse Sensing

, Authors: Mark Platt, Rhushabh Maugi
Version undefined posted 28 November 2019
Posted
Nov 28, 2019
10.26434/chemrxiv.10593845.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Performance of Electronic Structure Methods for the Description of Hückel-Möbius Interconversions in Extended π-Systems

, Authors: Tatiana Woller, Ambar Banerjee, Nitai Sylvetsky, Xavier Deraet, Frank De Proft, Gershom Martin, Mercedes Alonso
Version undefined posted 28 November 2019
Posted
Nov 28, 2019
10.26434/chemrxiv.10564115.v1
 
Subject: Chemistry
,
Working Paper
, Title:

In-situ Activation of a Highly Volatile and Thermally Stable Indium(III) Triazenide Precursor for Epitaxial Growth of Indium Nitride by Atomic Layer Deposition

, Authors: Nathan O'Brien, Polla Rouf, Rouzbeh Samii, Karl Rönnby, Sydney C. Buttera, Ivan G. Ivanov, Vadim Kessler, Lars Ojamäe, Henrik Pedersen
Version undefined posted 28 November 2019
Posted
Nov 28, 2019
10.26434/chemrxiv.10565588.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Defect-Mediated Conductivity Enhancements in Na3-xPn1-xWxS4 (Pn = P, Sb) using Aliovalent Substitutions

, Authors: Till Fuchs, Sean Culver, Paul Till, Wolfgang Zeier
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.9943961.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Is Preservation of Symmetry Necessary for Coarse-Graining?

, Authors: Maghesree Chakraborty, Jinyu Xu, Andrew White
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10728128.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Boronate Ester Bullvalenes

, Authors: Harshal Patel, Thanh Huyen Tran, Christopher Sumby, Lukáš Pašteka, Thomas Fallon
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10732838.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Proximity Effect in Crystalline Framework Materials: Stacking-Induced Functionality in MOFs and COFs

, Authors: Agnieszka Kuc, Maximilian Springer, Kamal Batra, Rosalba Juarez-Mosqueda, Christof Wöll, Thomas Heine
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.9912812.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Resonant Ta Doping for Enhanced Mobility in Transparent Conducting SnO2

, Authors: Benjamin Williamson, Thomas Featherstone, Sanjayan Sathasivam, Jack Swallow, Huw Shiel, Leanne Jones, Matthew Smiles, Anna Regoutz, Tien-Lin Lee, Xueming Xia, Chris Blackman, Pardeep Thakur, Claire Carmalt, Ivan Parkin, Tim Veal, David Scanlon
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10561145.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Two-Dimensional Noble-Metal Dichalcogenides and Phosphochalcogenides

, Authors: Roman Kempt, Agnieszka Kuc, Thomas Heine
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10693025.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Photocontrolled Synthesis of N-Type Conjugated Polymers

, Authors: Eliot Woods, Alexandra Berl, Julia Kalow
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.8378405.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Architecture of Allosteric Structure. Demonstration of the Fundamental Element of Allosteric Structure of Human Hemoglobin. O2-Equilibrium Binding Curve of Purified Human Hemoglobin in an Effector-Free Supporting Electrolyte.

, Authors: Francis Knowles
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10717343.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Architecture of Allosteric Structure. Equation of State Containing Three Unknown Quantities for Fractional Saturation of whole Human Blood with O2: Formatting the Adair Equation to Accommodate Ordered Equivalent Sequences of O2-Binding Reactions and a Single Conformation Change Not Concerted with O2 Binding

, Authors: Francis Knowles, Douglas Magde
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10721087.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Design of AIEgens for Near-Infrared IIb Imaging Through Structural Modulation at Molecular and Morphological Levels

, Authors: yuanyuan li, Zhaochong Cai, shunjie liu, Haoke Zhang, sherman Wong, Jacky W. Y. Lam, Ryan Tsz Kin Kwok, Jun Qian, Ben Zhong Tang
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10728086.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Light- and Temperature-Assisted Spin State Annealing: Accessing the Hidden Multistability

, Authors: Yan-Cong Chen, Yan Meng, Jiří Tuček, Yan-Jie Dong, Xiao-Wei Song, Guo-Zhang Huang, Chuan-Lei Zhang, Zhao-Ping Ni, Radek Zbořil, Ming-Liang Tong
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10736867.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Tautomer Database: A Comprehensive Resource for Tautomerism Analyses

, Authors: Devendra K. Dhaked, Laura Guasch, Marc Nicklaus
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10790369.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2

, Authors: Devendra K. Dhaked, Wolf Ihlenfeldt, Hitesh Patel, Marc Nicklaus
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10794962.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Determination of Protein Structural Ensembles by Hybrid-Resolution SAXS Restrained Molecular Dynamics.

, Authors: Cristina Paissoni, Alexander Jussupow, Carlo Camilloni
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.8798285.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Relative and Absolute Structure Assignments of Alkenes Using Crystalline Osmate Derivatives for X-Ray Analysis

, Authors: Alexander S. Burns, Charles dooley, Paul R. Carlson, Joseph W. Ziller, Scott Rychnovsky
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10830143.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Resolution of the Equilibrium Constant for the T State → RState Conformational Change of Human Hemoglobin into Endothermic and Exothermic Component Reactions

, Authors: Francis Knowles, Douglas Magde
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10838249.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Architecture of Allosteric Structure. Rate Equations, Rate Constants, and Equilibrium Constants for Reaction of: Hb4 with O2 and (HbO2)4 with Dithionate, in the Presence of 2,3-Bisphosphoglycerate

, Authors: Francis Knowles, Samantha J. Doyle, Douglas Magde
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10844381.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmarking Electronic Structure Methods for Accurate Fixed-Charge Electrostatic Models

, Authors: Alex Zhou, Michael Schauperl, Paul Nerenberg
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.9985079.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Linear Free Energy Relationships for Transition Metal Complex Chemistry: Opportunity or Pipe Dream?

, Authors: Zhenzhuo Lan, Shaama Mallikarjun Sharada
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10871882.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Insights into Charge Transfer at the Cluster/semiconductor Interface for In-Depth Understanding the Role of Atomically Precise Silver Cluster

, Authors: Yu Wang, Xiao-He Liu, Qiankun Wang, Martin Quick, Sergey Kovalenko, Qing-Yun Chen, Norbert Koch, Nicola Pinna
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.11012369.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Simulating Protein-Ligand Binding with Neural Network Potentials

, Authors: Shae-Lynn Lahey, Christopher Rowley
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.11051315.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Models for Understanding Divergent Reactivity in Lewis Acid-Catalyzed Transformations of Carbonyls and Olefins

, Authors: Marc R. Becker, Jolene P. Reid, Katie Rykaczewski, Corinna Schindler
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.11119883.v1
 
Subject: Chemistry
,
Working Paper
, Title:

On the Bonding Situation in Stannocene and Plumbocene N-Heterocyclic Carbene Complexes

, Authors: Diego Andrada, Sergi Danés, Lisa Wirtz, Carsten Mueller, Volker Huch, Theresa Block, Rainer Pöttgen, André Schäfer
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.11089097.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Insight on the Factors Controlling the Equilibrium of Allylic Azides

, Authors: Margarita Vallejos, Guillermo Labadie
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.11094986.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Aggregation of Lipid A Variants: a Hybrid Particle-Field Model

, Authors: Antonio De Nicola, Thereza A. Soares, Sigbjørn Løland Bore, G. J. Agur Sevink, Michele Cascella, Giuseppe Milano
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.11101637.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Li+ Conduction Within Single-Ion Conducting Crosslinked Gel via Reduced Cation-Polymer Interaction

, Authors: Hunter O. Ford, Bumjun Park, Jizhou Jiang, Jennifer Schaefer
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.11102762.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Microbial Cleavage of C‒F Bonds in Per- and Polyfluoroalkyl Substances via Dehalorespiration

, Authors: Yaochun Yu, Kunyang Zhang, Zhong Li, Changxu Ren, Jinyong Liu, Yujie Men
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.8245679.v4
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible Shifting of a Chemical Equilibrium by Light: The Case of Keto-Enol Tautomerism of a β-Ketoester

, Authors: Andrey Lvov, Anton Yadykov, Konstantin Lyssenko, Valerii Shirinian, Marat M. Khusniyarov
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.11106347.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Zeolite Structure Direction: Identification, Strength and Involvement of Weak CH…O Hydrogen Bonds

, Authors: Tzonka Mineva, Eddy Dib, Arnold Gaje, Hugo Petitjean, Jean-Louis Bantignies, Bruno Alonso
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.11108792.v1
 
Subject: Chemistry
,
Working Paper
, Title:

DNP-enhanced NMR of Lithium Dendrites: Selective Observation of the Solid–Electrolyte Interphase

, Authors: Michael Hope, Bernadine L. D. Rinkel, Anna B. Gunnarsdottir, Katharina Marker, Svetlana Menkin, Subhradip Paul, Ivan Sergeyev, Clare P. Grey
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10298438.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Modulated Structure Determination and Ion Transport Mechanism of Oxide-Ion Conductor CeNbO4+δ

, Authors: Jian Li, Fengjuan Pan, Shipeng Geng, Cong Lin, Mathieu Allix, Xiaojun Kuang, Jianhua Lin, Junliang Sun
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.11109536.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Activity-Dependent Probes Containing Epsilon-N-Thioacyllysine and -Epsilon-N-Acyl-(Delta-Aza)lysine Residues

, Authors: Michael Bæk,, Pablo Martín-Gago, Jonas S. Laursen, Julie L. H. Madsen, Saswati Chakladar, Christian Adam Olsen
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10315502.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Optoelectronic Materials Based on Gaq3@ZIF-8 Metal-Organic Framework Composites for Solid-State Lighting

, Authors: Mario Gutierrez, Cristina Martín, Mark Van der Auweraer, Johan Hofkens, Jin-Chong Tan
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10315901.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Modeling Structure and Absorption Spectra of the Bacteriophytochrome-Based Fluorescent Protein IFP1.4

, Authors: Igor Polyakov, Bella Grigorenko, Alexander Nemukhin
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.10297925.v1
 
Subject: Chemistry
,
Working Paper
, Title:

First-Principles Characterization and Comparison of Clean, Hydrated, and Defect α-Al2O3 (110) Surfaces

, Authors: ali abbaspour tamijani, Jennifer Bjorklund, Jeffrey Catalano, Sara E. Mason
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.11154722.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Control of Ultrafast Internal Conversion using Nano-Confined Virtual Photons

, Authors: Aleksandr Avramenko, Aaron Rury
Version undefined posted 29 November 2019
Posted
Nov 29, 2019
10.26434/chemrxiv.11164796.v1
 
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