Results 61 to 70 of about 13,031 (233)

Molecular Design Strategies for High‐Voltage Organic Cathodes

Advanced Energy Materials, EarlyView.
This work proposes molecular engineering strategies for high‐voltage organic cathode materials for Li‐ion batteries: (1) increase Li‐O coordination number (CN), (2) achieve a greater increase in aromaticity upon reduction (∆Aromaticity), and (3) add an electron‐withdrawing group (EWG), through a combined experimental and computational study on reported
Sungil Hong, Alae Eddine Lakraychi, Artur Lyssenko, Abhishek Ashwin Panchal, Harshan Reddy Gopidi, Pieremanuele Canepa, Rafael Gómez‐Bombarelli, Yan Yao, Rajeev Surendran Assary   +8 more
wiley   +1 more source

High‐Efficiency and Stable Perovskite Solar Cells Enabled by Halogen‐Free Cosolvent‐Processed Pyrazine‐Based Dopant‐Free Hole Transport Material

EcoMat
The complex molecular structures of electron donor (D)–acceptor (A) polymers provide a wealth of useful hints for producing high power conversion efficiency (PCE) as hole transport materials (HTMs) in perovskite solar cells (PVSCs).
Chetan Lakshman, Hyerin Kim, Bo Hyeon Cho, Donghyun Song, Jeonghyeon Park, Young Yong Kim, Jinhwan Yoon, Sung‐Ho Jin   +7 more
doaj   +1 more source

Design and synthesis new indole-based aromatase/iNOS inhibitors with apoptotic antiproliferative activity

Frontiers in Chemistry
The present study details the design, synthesis, and bio-evaluation of indoles 3–16 as dual inhibitors of aromatase and inducible nitric oxide synthase (iNOS)with antiproliferative activity.
Lamya H. Al-Wahaibi, Hesham A. Abou-Zied, Mostafa H. Abdelrahman, Martha M. Morcoss, Laurent Trembleau, Bahaa G. M. Youssif, Stefan Bräse   +6 more
doaj   +1 more source

Accelerating Primary Screening of USP8 Inhibitors from Drug Repurposing Databases with Tree‐Based Machine Learning

Advanced Intelligent Discovery, EarlyView.
This study introduces a tree‐based machine learning approach to accelerate USP8 inhibitor discovery. The best‐performing model identified 100 high‐confidence repurposable compounds, half already approved or in clinical trials, and uncovered novel scaffolds not previously studied. These findings offer a solid foundation for rapid experimental follow‐up,
Yik Kwong Ng, Sharon Ai Er Lam, Wei Chun Lim, Hannah Hui Min Toh, Shi Jun Ang   +4 more
wiley   +1 more source

Auf dem Weg zu chromoselektiven Transformationen in biologischen Systemen: Perspektiven und Herausforderungen

Angewandte Chemie, EarlyView.
Die Kontrolle biologischer Systeme mit organischen Chromophoren hat sich zu einer vielversprechenden Strategie entwickelt und findet Anwendung von der chemischen Biologie bis hin zur Medizin. Die Komplexität von In‐vivo‐Systemen lässt sich jedoch nicht mit nur einer einzigen Lichtwellenlänge adäquat abbilden.
Nadja A. Simeth
wiley   +1 more source

Progress on the Synthesis Pathways and Pharmacological Effects of Naturally Occurring Pyrazines

Molecules
As one of the most essential types of heterocyclic compounds, pyrazines have a characteristic smell and taste and have a wide range of commercial applications, especially in the food industry.
Xun Liu, Wenli Quan
doaj   +1 more source

Pyrazine-bridged polymetallic copper–iridium clusters

Acta Crystallographica Section E: Crystallographic Communications
Single crystals of the molecular compound, {Cu20Ir6Cl8(C21H24N2)6(C4H4N2)3]·3.18CH3OH or [({Cu10Ir3}Cl4(IMes)3(pyrazine))2(pyrazine)]·3.18CH3OH [where IMes is 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene], with a unique heterometallic cluster have ...
Ben. J. Tickner, Richard Gammons, Adrian C. Whitwood, Simon B. Duckett   +3 more
doaj   +1 more source

Crystal structure of poly[[aqua(μ2-pyrazine-κ2N:N′)(μ2-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-κ2O1:O4)copper(II)] hemihydrate]

Acta Crystallographica Section E: Crystallographic Communications
The asymmetric unit of the title compound, {[Cu2(C8Cl4O4)2(C4H4N2)2(H2O)2]·H2O}n or {[Cu2(Cl4bdc)2(pyz)2(H2O)2]·H2O}n comprises of a CuII ion, one tetrachlorobenzenedicarboxylate ion (Cl4bdc2−), one pyrazine ligand (pyz), and one and a half water ...
Hitoshi Kumagai, Satoshi Kawata, Nobuhiro Ogihara   +2 more
doaj   +1 more source

Discovery and Biological Evaluation of a Series of Pyrrolo[2,3-b]pyrazines as Novel FGFR Inhibitors

Molecules, 2017
Abnormality of fibroblast growth factor receptor (FGFR)-mediated signaling pathways were frequently found in various human malignancies, making FGFRs hot targets for cancer treatment. To address the consistent need for a new chemotype of FGFR inhibitors,
Yan Zhang, Hongchun Liu, Zhen Zhang, Ruifeng Wang, Tongchao Liu, Chaoyun Wang, Yuchi Ma, Jing Ai, Dongmei Zhao, Jingkang Shen, Bing Xiong   +10 more
doaj   +1 more source

Toward Chromoselective Transformations in Biological Systems: Perspectives and Challenges

Angewandte Chemie International Edition, EarlyView.
Controlling biological systems with small‐molecule chromophores has evolved into a powerful strategy and is applied from chemical biology to medicine. However, the complexity of in vivo systems cannot be matched by a single wavelength of light. Developing methods to combine and individually control multiple chromophores is crucial.
Nadja A. Simeth
wiley   +1 more source