Results 251 to 260 of about 91,814 (336)

An Adaptive Force Matching Potential for Alanine Developed with Møller-Plesset Perturbation Theory and Smooth Fourier Transform Correction Map. [PDF]

J Phys Chem B
Yuan Y, Wang F.
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

Intramolecular transamidation enables one-pot synthesis of three chiral, Z-shaped perilenediimides for null-type supramolecular polymer formation. [PDF]

Chem Sci
Schwalb AJ, Carreño A, García F, Sánchez L.   +3 more
europepmc   +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

Hinge-Like Mechanochromic Mechanophores Based on [2.2]Paracyclophane. [PDF]

Angew Chem Int Ed Engl
Shimizu S, Clough JM, Weder C, Sagara Y.
europepmc   +1 more source

Enzyme‐Inspired Hydrogen‐Bonded Organic Frameworks for Synergistic Capture, Detection, and Degradation of Nerve Agent Simulants

Advanced Science, EarlyView.
FDU‐HOF‐5, an enzyme‐inspired hydrogen‐bonded framework, enables targeted capture, real‐time visual alert, and detoxification of nerve agent simulants through biomimetic sites and multivalent interactions. Integrable into protective gear, it pioneers on‐site threat monitoring strategies for persistent neurotoxic hazards, advancing smart, responsive ...
Jiabao Liu, Guanglai Mo, Xiangyu Gao, Yingjia Deng, Yijin Wang, Qingyu Niu, Yujie Lei, Bin Fei, Joanne Yip, Zhaozhen Zhang, Jie Wu, Yunbo Bi, Kaikai Ma, Zhiqiang Li, Peng Li   +14 more
wiley   +1 more source

Visible photon energy storage by [2+2] cycloaddition of Pd-oxazolones. [PDF]

Chem Sci
Qiu Q, Usuba J, Koay WL, Conrad VJO, Wu NM, Zheng SL, Truong VX, Han GGD.   +7 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

Molecular insights on the mechanism of α1-antitrypsin condensate formation and maturation. [PDF]

PLoS Comput Biol
Sanchez-Burgos I, Tejedor AR, Collepardo-Guevara R, de la Serna JB, Espinosa JR.   +4 more
europepmc   +1 more source

Studies in molecular dynamics: new criteria for evaluation of intramolecular force fields

, 1977
Nair S Sasidharan, K Babu Joseph
openalex   +1 more source