Results 151 to 160 of about 9,469,736 (295)

Substituent Effects in Thiophenes

Croatica Chemica Acta, 1995
He I and He II photoelectron spectra (UPS) of 2-acetyl and 2-cyano thiophene have been measured. The electronic strucutre of the title compounds and, in particular, the effect of substituents on the thiophene % orbitals is discussed on the basis of band widths, He I/He II intensities and semi-empirical MO calculations.
openaire   +1 more source

Robots and Minimal, Physics‐Informed Features: A Hybrid Framework for Enzyme Catalysis

Advanced Science, EarlyView.
Robotic experimentation and physics‐informed machine learning combine to predict enzyme substrate scope. With a handful of interpretable features derived from docking and quantum mechanics calculations, our model rivals descriptor‐heavy AI approaches and extrapolates to unseen substrates and enzyme classes.
Natalia Onishchenko, Eric S. Larsen, Govind Paneru, Kisung Lee, Diana V. Kolygina, Yankai Jia, Elizabeth Maria Clarissa, Wai‐Shing Wong, Bartosz A. Grzybowski   +8 more
wiley   +1 more source

Tailoring Structure–Property Relationships in π‐Conjugated Heterocyclic Poly(arylene alkylene) Anion‐Exchange Membranes for High‐Performance Water Electrolysis

Advanced Science, EarlyView.
From passive to active ion transport: π‐conjugated heterocycles reconfigure the hydration environment and microphase morphology of p‐terphenyl‐based anion‐exchange membranes, enabling fast hydroxide transport and high‐performance water electrolysis. ABSTRACT Anion‐exchange membrane water electrolysis (AEMWE) is a promising technology for sustainable ...
Qian Wang, Riyang Huang, Wenzhe Zhao, Si Chen, Yunpeng Guo, Yang Wu, Yun Zhao, Patric Jannasch, Jingshuai Yang   +8 more
wiley   +1 more source

Co‐Ligand‐Induced Electronic Modulation Controls Substrate Adsorption and Selectivity in Biomass Electrooxidation

Advanced Science, EarlyView.
A molecular design strategy is reported that introduces distinct anionic co‐ligands into Cu‐based catalysts to modulate the electronic density of the metal center and, consequently, its interaction with both OHads and HMF. The work establishes co‐ligand engineering as an effective strategy for precise interfacial adsorption control in electrocatalysis,
Chen Gao, Bin Han, Shuai Chen, Shuai Yan, Ralf Weisbarth, Jorg Daniels, Nikolay Kornienko   +6 more
wiley   +1 more source

Side‐Chain Asymmetry in Quinoxaline Copolymer Donors Enables Optimal Morphology and Improved Charge Dynamics for High‐Efficiency Organic Solar Cells

Advanced Science, EarlyView.
Side‐chain asymmetry in quinoxaline copolymer donors modulates donor–acceptor miscibility and blend morphology in all‐polymer solar cells. The asymmetric donor PBAQ6 enables more balanced charge transport, reduced recombination, and improved charge dynamics with PYF‐T‐o, delivering PCEs of 18.35% in binary devices and 19.52% in ternary devices ...
Can Zhu, Jinyuan Zhang, Ke Hu, Shirong Lu, Jianqi Zhang, Shucheng Qin, Hong Zhang, Yule Cheng, Wenbin Lai, Beibei Qiu, Jing Guo, Lei Meng, Gang Li, Yongfang Li   +13 more
wiley   +1 more source

Synthesis, characterization and spectroscopic properties of some new phenylazo-6-aminouracil

Open Chemistry, 2008
Seferoğlu Zeynel, Ertan Nermin
doaj   +1 more source

Integrating the Substituent Effect into the Wade-Mingos Rules for Dicarboranes. [PDF]

Angew Chem Int Ed Engl
Wang SS, Xue YY, Barroso J, Hernández-Juárez G, Cui ZH, Merino G, Ding YH.   +6 more
europepmc   +1 more source

One-Step, Rapid, ¹⁸F-¹⁹F Isotopic Exchange Radiolabeling of Difluoro-dioxaborinins: Substituent Effect on Stability and In Vivo Applications. [PDF]

J Med Chem, 2020
An F, Nurili F, Sayman H, Ozer Z, Cakiroglu H, Aras O, Ting R.   +6 more
europepmc   +1 more source

Ribonucleotides Amplify Mitochondrial DNA‐Driven cGAS–STING Activation via FdUMP‐ribonucleotide Hybrid Particles to Potentiate Chemoimmunotherapy

Advanced Science, EarlyView.
This work develops a metabolic sharing strategy that employs cytidine monophosphate (CMP) to competitively reprogram floxuridine (FUDR) pyrimidine metabolism in colorectal tumor cells. Elevated intracellular FdUMP induces nucleotide imbalance, drives mitochondrial DNA release and cGAS‐STING innate immune cascade activation, and potentiates robust ...
Chao Wang, Chenxuan Zhao, Yesong Yao, Zhiwen Zou, Anxin Shi, Zhuo Feng, Mingkang Yang, Yue Yu, Yang Liu, Xuehui Rui, Jinhui Wu   +10 more
wiley   +1 more source

Substituent Effect on the Nucleophilic Aromatic Substitution of Thiophenes With Pyrrolidine: Theoretical Mechanistic and Reactivity Study. [PDF]

J Comput Chem
Pouzens JT, Souissi S, Ludwig B, Le Breton G, Ingrosso F, Ayachi S, Hierso JC, Boubaker T, Fleurat-Lessard P.   +8 more
europepmc   +1 more source