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Biological and Medicinal Chemistry

Evaluation of SULT1A1-activated alkylators as cytotoxic agents against liver cancer cells

Ke Kong, Wei Zhao, Jonathan H. Shrimp, Marius Vava, Rohan Sinha, Shweta Sharma, Tobie D Lee, Jacob S Roth, Olivia W Lee, Devin Lewis, Sara E. Kearney, Jason Rohde, Mindy I. Davis, Pranav Shah, Amy Wang, Xin Xu, Lei Shi, Min Shen, Matthew Boxer, Nabeel Bardeesy, Matthew D. Hall, Samarjit Patnaik

Theoretical and Computational Chemistry

Characterizing the interplay of 'σ-hole’ and ‘σ*' interactions in chalcogen bonding

Anthony Lara, Alistair Sterling, Abdul Aldossary, Martin Head-Gordon

Biological and Medicinal Chemistry

From Membrane Composition to Antimicrobial Strategies: Experimental and Computational Approaches to AMP Design and Selectivity

Paolo Rossetti, Marius Trollmann, Christina Wichmann, Thomas Gutsmann, Christian Eggeling, Rainer Böckmann

Triacylphosphines as a Novel Class of Phosphorus Sources for the Synthesis of Transition Metal Phosphide Nanoparticles

Artsiom Antanovich, Andrey Iodchik, Jing Li, Pavel Khavlyuk, Volodymyr Shamraienko, Vladimir Lesnyak

Physical Chemistry

On the connection between the Exact Factorization and the Born-Huang representation of the molecular wavefunction

Peter Schürger, Yorick Lassmann, Federica Agostini, Basile Curchod

Organic Chemistry

A new method for the production of 1,1-diphenylalkanes based on Ta-mediated arylation of aldehydes using benzene

Azat M. Gabdullin, Aidar B. Yulbarisov, Rita N. kadikova, Ilfir R. Ramazanov

Organic Chemistry

Cyclooctadiene-Derived Cage-Divergent Synthesis of Heteroadamantanes and Alternative Polycyclic Systems

Vladyslav Lysenko, Ioann Popov, Evgeniy Slobodyanyuk, Eduard Rusanov, Olexandr Pashenko, Dmytro Volochnyuk, Serhiy Ryabukhin

Biological and Medicinal Chemistry

Advancing Aqueous Solubility Prediction: A Machine Learning Approach for Organic Compounds Using a Curated Dataset

Mushtaq Ali, Sylvia Vanderheiden, Christoph W. Grathwol, Pascal Friederich, Nicole Jung, Stefan Bräse

Earth, Space, and Environmental Chemistry

Spontaneous Aqueous Defluorination of Trifluoromethylphenols: Substituent Effects and Revisiting the Mechanism

Zhefei Guo, Geneviève Tremblay, Jingdan Chen, Shira Joudan

Materials Chemistry

Defect Layer at the Surface of BaTaO2N and Implications for Photocatalysis

Matthew Smith, Wenpeng Li, Gregory Metha, Takashi Hisatomi, Kazunari Domen, Gunther Andersson

Organic Chemistry

Data-driven automatic synthesis planning: Synthesis routes of S-Zanubrutinib identified with CDI CASP

Zhen Guo, Akihiro Takada, Alexei Lapkin

Materials Science

Suspended water at/near room temperature and new physical state of systematically isolated ions and molecular clusters with high electrical mobility

Miao Zhongzheng

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