Results 51 to 60 of about 249,594 (250)

Normal-mode-analysis-monitored energy minimization procedure for generating small-molecule bound conformations. [PDF]

PLoS ONE, 2007
The energy minimization of a small molecule alone does not automatically stop at a local minimum of the potential energy surface of the molecule if the minimum is shallow, thus leading to folding of the molecule and consequently hampering the generation ...
Qi Wang, Yuan-Ping Pang
doaj   +1 more source

A study of the interaction between inverted cucurbit[7]uril and symmetric viologens [PDF]

, 2017
The interaction between inverted cucuribit[7]uril (iQ[7]) and a series of symmetric viologen derivatives bearing aliphatic substituents of variable length, namely dicationic dialkyl-4,4′-bipyridinium guests where the alkyl is CH₃(CH₂)n with n = 0 to 6 ...
Bai, Dong, Chen, Li-Xia, Chen, Lixia, Gao, Zhong-Zheng, Gao, Zhongzheng, Prior, Timothy J., Redshaw, Carl, Tao, Zhu, Xiao, Xin   +8 more
core   +2 more sources

Selective Benzene Capture by Metal‐Organic Frameworks

Advanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) hold significant potential for capturing benzene from air emissions and hydrocarbon mixtures in liquid phases. This capability stems from their precisely engineered structures, versatile chemistries, and diverse binding interactions.
Zongsu Han, Ankit Mondal, Jiatong Huo, Yihao Yang, Hong‐Cai Zhou   +4 more
wiley   +1 more source

Complexation Analysis of Water-Soluble Phosphate Salt Pillar[5]arene with Acridine Orange

Chinese Journal of Magnetic Resonance, 2020
The host-guest complex of water-soluble phosphate salt pillar[5]arene (PP5A) and cationic fluorescent dye acridine orange (AO) was constructed, and studied with ultraviolet spectrum (UV), infrared absorption spectrum (IR), molecular fluorescence ...
BAO Qiu-lian, YANG Yun-han, WEI Ke-ke, LUO Jian-ping, GU Jie, LU Jia-jia, YANG Li-juan   +6 more
doaj   +1 more source

Fast‐Responding O2 Gas Sensor Based on Luminescent Europium Metal‐Organic Frameworks (MOF‐76)

Advanced Functional Materials, EarlyView.
Luminescent MOF‐76 materials based on Eu(III) and mixed Eu(III)/Y(III) show rapid and reversible changes in emission intensity in response to O2 with very short response times. The effect is based on triplet quenching of the linker ligands that act as photosensitizers. Average emission lifetimes of a few milliseconds turn out to be mostly unaffected by
Zhenyu Zhao, Christian Weinberger, Jakob Steube, Matthias Bauer, Martin Brehm, Michael Tiemann   +5 more
wiley   +1 more source

Electroactive Metal–Organic Frameworks for Electrocatalysis

Advanced Functional Materials, EarlyView.
Electrocatalysis is crucial in sustainable energy conversion as it enables efficient chemical transformations. The review discusses how metal–organic frameworks can revolutionize this field by offering tailorable structures and active site tunability, enabling efficient and selective electrocatalytic processes.
Irena Senkovska, Yutong Luo, Ruyan Zhao, Jianjun Zhang, Mingchao Wang, Xinliang Feng, Eike Brunner, Stefan Kaskel   +7 more
wiley   +1 more source

Photoswitching Conduction in Framework Materials

Advanced Functional Materials, EarlyView.
This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez, Stefan Hecht, Wolfgang Wenzel, Lars Heinke, Mariana Kozlowska   +4 more
wiley   +1 more source

Crystal structure and supramolecular features of a host–guest inclusion complex based on A1/A2-hetero-difunctionalized pillar[5]arene

Acta Crystallographica Section E: Crystallographic Communications
A host–guest supramolecular inclusion complex was obtained from the co-crystallization of A1/A2-bromobutoxy-hydroxy difunctionalized pillar[5]arene (PilButBrOH) with adiponitrile (ADN), C47H53.18Br0.82O10·C6H8N2.
Mickey Vinodh, Talal F. Al-Azemi
doaj   +1 more source

Supramolecular Polymers With AIE Property Fabricated From a Cyanostilbene Motif-Derived Ditopic Benzo-21-Crown-7 and a Ditopic Dialkylammonium Salt

Frontiers in Chemistry, 2020
Fluorescent supramolecular polymers (FSP) have attracted considerable attention in recent years. Particularly, the incorporation of aggregation-induced emission (AIE) property to the FSP will bring this material into practical applications.
Haoran Wu, Tangxin Xiao
doaj   +1 more source

Separation of mercuric ions using 2-thienylbenzimidazole/cucurbit[7]uril/iron-oxide nanoparticles by pH control

Scientific Reports, 2023
2-Thienylbenzimidazole (TBI)/cucurbit[7]uril (CB7) host–guest complex was used as a motif to significantly improve the turnover of γ-Fe3O4 magnetic nanoparticles for potential application in the separation of toxic mercuric ions in polluted water samples.
Falguni Chandra, Paltan Laha, Farah Benyettou, Tina Skorjanc, Na’il Saleh   +4 more
doaj   +1 more source