Results 161 to 170 of about 147,809 (300)

Synergistic Tuning of Conformational Dynamics, Electron Tunneling, and Substrate Positioning Enhances Electron Transfer in a P450 Chimera for Calcifediol Biosynthesis

Advanced Science, EarlyView.
A synergistic electron transfer (ET) optimization strategy modulating conformational dynamics, ET pathway, and substrate orientation is proposed for self‐sufficient cytochrome P450s. Guided by this strategy, a P450 variant with improved ET and catalytic efficiency was identified, and the underlying molecular basis was revealed by computational analysis.
Ziqi Liang, Xitong Song, Shuming Cheng, Yiwen Shen, Jie Zhang, Yaru Wang, Huiying Luo, Bin Yao, Binju Wang, Tao Tu   +9 more
wiley   +1 more source

Effect of intramolecular hydrogen-bond formation on the molecular conformation of amino acids. [PDF]

Commun Chem, 2020
Giubertoni G, Sofronov OO, Bakker HJ.
europepmc   +1 more source

Bidirectionally Thermochromic Nanocolloid System for on‐Demand Optical Switching and Agricultural Energy Management

Advanced Science, EarlyView.
A bidirectionally thermochromic nanocolloid system is developed for facility agriculture. The bidirectional and wide‐temperature response dynamically modulates light radiation, stabilizing the indoor climate, improving supplemental lighting efficiency, and accelerating plant photosynthesis.
Qinbo Jiang, Jiayi Li, Hui Zhang
wiley   +1 more source

Achieving Chemical Accuracy in Cyclodextrin Host–Guest Binding via Integrative Atomistic Modelling

Advanced Science, EarlyView.
A generalizable computational framework is presented that overcomes long‐standing challenges in modelling cyclodextrin host‐guest binding by integrating host‐specific force‐field refinement, equilibrium enhanced sampling, nonequilibrium alchemical switching, convolution sampling of independent works, rigorous finite‐size corrections, and QM‐based ...
Xiaohui Wang, Linqiong Qiu, Hongyu Wang, Wenting Tang, Jiayang Leng, John Z. H. Zhang, Piero Procacci, Zhaoxi Sun   +7 more
wiley   +1 more source

Methylation‐Induced Permanent Charge Polarization in Covalent Organic Frameworks for Visible Light‐Driven Water Decontamination and Disinfection

Advanced Science, EarlyView.
A targeted in situ methylation strategy is developed to engineer cationic centers in a quinoline‐linked COF (NQ‐COFS1‐Me), creating a strong built‐in electric field, which effectively suppresses excitonic effects and promotes charge separation. The optimized material demonstrates powerful photocatalytic ROS generation for rapid bacterial inactivation ...
Xuewen Peng, Huaji Pang, Niu Feng, Dekang Huang, Chunpeng Jiao, Jingbin Zeng, Yonggang Xiang, Yiping Chen   +7 more
wiley   +1 more source

Inter- vs. Intramolecular Hydrogen Bond Patterns and Proton Dynamics in Nitrophthalic Acid Associates. [PDF]

Molecules, 2020
Jóźwiak K, Jezierska A, Panek JJ, Goremychkin EA, Tolstoy PM, Shenderovich IG, Filarowski A.   +6 more
europepmc   +1 more source

Decoding Proton‐Coupled Electron Transfer Mechanism of Nicotine for Multi‐Scenario Portable Electrochemical Sensing

Advanced Science, EarlyView.
A key challenge in nicotine electroanalysis is the unresolved complexity of its interface process, which directly determines sensor metrics. Herein, the proton‐coupled electron transfer mechanism of nicotine is decoded for multi‐scenario portable electrochemical sensing.
Yi Peng, Qinyi Cao, Qianyu Shen, Yuhang Zhang, Shiyu Hu, Hongdou Yi, Qian Liu, Lihui Ou, Qiang Li, Zhaohong Su   +9 more
wiley   +1 more source

Intramolecular Hydrogen Bond Driven Conformational Selectivity of Coumarin Derivatives of Resorcin[4]arene. [PDF]

Int J Mol Sci, 2020
Szafraniec A, Iwanek W.
europepmc   +1 more source

Catechol Derivative‐Based Bioadhesives: Molecular Design for Precision Medical Adhesion

Advanced Science, EarlyView.
This study utilizes tree‐inspired side‐chain engineering to graft five catechol derivatives onto PVA, systematically revealing how side‐chain length and substituents regulate adhesion and cohesion properties. Among them, the PVA‐CA patch demonstrates superior tissue adhesion, biocompatibility, and promotes regeneration, establishing a programmable ...
Xueyu Wang, Zixin Yang, Shan Wang, Weiwei Tan, Zhirui He, Qinyu Duan, Huanan Wang, Tao Chen, Shanshan Hu   +8 more
wiley   +1 more source

Design and tuning of ionic liquid-based HNO donor through intramolecular hydrogen bond for efficient inhibition of tumor growth. [PDF]

Sci Adv, 2020
Lv X, Chen K, Shi G, Lin W, Bai H, Li H, Tang G, Wang C.   +7 more
europepmc   +1 more source