Results 111 to 120 of about 2,976,941 (240)

Novel Noncovalent Interactions in Catalysis: A Focus on Halogen, Chalcogen, and Anion-π Bonding

, 2017
Noncovalent interactions play an important role in many biological and chemical processes. Among these, hydrogen bonding is very well studied and is already routinely used in organocatalysis.
Julie Schmauck, Daniel von der Heiden, Martin Breugst   +2 more
core   +1 more source

NCIPLOT4 Guide for Biomolecules: An Analysis Tool for Noncovalent Interactions

, 2020
This Application Note is a guide for the use of the NCIPLOT4 code in the analysis of noncovalent interactions in biomacromolecular systems. Through a series of examples, the reader is walked through the process of calculating and interpreting noncovalent
Francesca Peccati (4434820)
core   +1 more source

A Superstrong and Ultratough Stretchable Electronic Conductor With Ultradurable Strain‐Insensitive Electromechanical Performance

Advanced Science, EarlyView.
We report a superstrong, ultratough, and fatigue‐resistant stretchable electronic conductor (SEC) integrating a viscoplastic quasi‐solid LM‐Ag alloy with a supramolecular elastomer. Unlike conventional LM, the alloy exhibits thixotropic flow, reduced surface tension, and enhanced interfacial interactions with the elastomer.
Yuxing Shan, Dong Lei, Chengzhi Huang, Chunhong Gong, Jingwei Zhang, Xiaokong Liu   +5 more
wiley   +1 more source

Structural and Mechanistic Studies of γ-Fe2O3 Nanoparticle as Hydroxyurea Drug Nanocarrier

Orbital: The Electronic Journal of Chemistry, 2019
In this study, the noncovalent interactions and four mechanisms of covalent functionalization of hydroxyurea have been examined using the density functional theory. Quantum molecular descriptors were also studied in noncovalent interactions.
Sadaf Avarand, Ali Morsali, Mohammad Moemen Heravi, Safar Ali Beyramabadi   +3 more
doaj  

Another Angle on Benchmarking Noncovalent Interactions

Journal of Chemical Theory and Computation
For noncovalent interactions (NCIs), the CCSD(T) coupled cluster method is widely regarded as the `gold standard'. With localized orbital approximations, benchmarks for ever larger NCI complexes are being published; yet tantalizing evidence from quantum Monte Carlo (QMC) results appears to indicate that as the system size grows, CCSD(T) overbinds NCIs ...
Vladimir Fishman, Michał Lesiuk, Jan M. L. Martin, A. Daniel Boese   +3 more
openaire   +3 more sources

A Huaxian Formula Nanoformulation Confers Protection Against Acute Radiation‐Induced Lung Injury by Targeting Ferroptosis

Advanced Science, EarlyView.
An inhalable, nanoengineered herbal therapy achieves protection against acute radiation‐induced lung injury via self‐assembled nanomicelle‐mediated pulmonary targeting and a previously unrecognized dual mechanism that attenuates oxidative stress while inhibiting ferroptosis in alveolar epithelial cells.
Li Quan, Junyang Chen, Xingmin Chen, Zengyi Fang, Yuanzhen Mi, Pingjin Zou, Shunlian Fu, Huakang Li, Ke Xu, Bing Lin, Jinyi Lang, Meihua Chen   +11 more
wiley   +1 more source

Strategy To Form Eutectic Molecular Liquids Based on Noncovalent Interactions

, 2019
The concept of eutectic molecular liquids (EMLs) was defined, and a strategy to form EMLs based on noncovalent interactions was proposed. We verified the formation and investigated the properties, interaction sites, and interaction energies of the ...
Tiancheng Mu (1319817), Dongkun Yu, Tiancheng Mu, Dongkun Yu (5873474)   +3 more
core   +1 more source

AARS1‐Mediated H3K27 Lactylation Rewires Glycolysis to Sustain Aggressive and Recurrent Bladder Cancer

Advanced Science, EarlyView.
AARS1 drives PI3K–AKT–mTOR‐dependent glycolysis in bladder cancer, promoting lactate accumulation, increased lactylation, H3K27la enrichment at the HK2 promoter, and HK2 transcription. HK2 reinforces glycolysis, sustaining a metabolic–epigenetic program associated with tumor progression, recurrence, and metastasis.
Qin Yuan, Tianbao Song, Yipeng He, Sihan Xia, Yaoqiu Huang, Wenlin He, Qin Yi, Zefeng Wang, Peihan Wang, Chenbo Huang, Linzhi Li, Zhen Yin, Fan Cheng, Weimin Yu   +13 more
wiley   +1 more source

Noncovalent Interactions

Chemistry International, 2020
Kamran T. Mahmudov, Armando J.L. Pombeiro   +1 more
openaire   +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