Results 201 to 210 of about 104,018 (309)

Developing accurate intramolecular force fields for conjugated systems through explicit coupling terms [PDF]

, 2018
Javier Cerezo, Giacomo Prampolini, Ivo Cacelli   +2 more
openalex   +1 more source

Structural and Energetic Evidence Supports the Non-Covalent Phosphate Cyclization by the Class II Phospholipase D from <i>Loxosceles intermedia</i>. [PDF]

Toxins (Basel)
Gismene C, Ruggiero Bachega JF, Doherty DZ, Veiga SS, Arni RK, Hernández González JE.   +5 more
europepmc   +1 more source

Circularly Polarized Luminescence Inversion in AIE‐Active Crystal Enabled by Solvent‐Induced Transition Dipole Moment Regulation

Aggregate, EarlyView.
Crystals of chiral AIEgens exhibit achiral solvent‐induced CPL sign inversion with good optical waveguide properties, while the same helical structure and molecular chirality are retained in the crystalline state. Nonbonding interactions between the cocrystallized solvent molecules and AIEgens affect the θμ,m (S1 → S0) of electric and magnetic ...
Xiaofei Niu, Xinwen Ou, Shizhe Ren, Ke Wang, Fengyan Song, Xiaobin Dong, Wu‐Jie Guo, Hui‐Qing Peng, Zujin Zhao, Jacky W. Y. Lam, Yong Sheng Zhao, Fei Li, Shu‐Yan Yu, Ben Zhong Tang   +13 more
wiley   +1 more source

Ultrafast Dynamics and Rearrangement of the EUV Photoacid Generator Phenyl Triflate. [PDF]

J Phys Chem Lett
Kwon S, Stamm J, Dantus M.
europepmc   +1 more source

Integrating Aggregate Materials and Machine Learning Algorithms: Advancing Detection of Pathogen‐Derived Extracellular Vesicles

Aggregate, EarlyView.
Pathogen‐derived extracellular vesicle detection: theoretical insights and advanced methodologies: This review explores the theoretical foundations and practical applications of pEV detection, emphasizing the challenges and innovative strategies involving novel aggregate materials and machine learning for enhanced diagnostic accuracy.
Lihan Lai, Yun Su, Cong Hu, Zehong Peng, Wei Xue, Liang Dong, Tony Y. Hu   +6 more
wiley   +1 more source

De Novo Design of Proteins That Bind Naphthalenediimides, Powerful Photooxidants with Tunable Photophysical Properties. [PDF]

J Am Chem Soc
Mann SI, Lin Z, Tan SK, Zhu J, Widel ZXW, Bakanas I, Mansergh JP, Liu R, Kelly MJS, Wu Y, Wells JA, Therien MJ, DeGrado WF.   +12 more
europepmc   +1 more source

Cocrystallization of Binary Silver Clusters Into Supramolecular Assembly to Regulate Aggregation‐Induced Emission and Thermally Activated Delayed Fluorescence

Aggregate, EarlyView.
Cocrystallizing Ag6 and Ag11 structures into supramolecular assembly in a 1: 2 ratio results in a binary tricluster Ag6·(Ag11)2, exhibiting both significant AIE and TADF properties. The separated two unitary Ag11 clusters confirm the critical role of Ag11 structures in AIE and TADF behavior, which are regulated by intercluster interactions and ...
Wei‐Yi Liang, Hai‐Ling Wang, Peng‐Xu Lu, Pei‐Yu Liao, Wei Deng, Jian‐Hua Jia, Ming‐Liang Tong   +6 more
wiley   +1 more source

Stochastic force generation in an isometric binary mechanical system. [PDF]

J Gen Physiol
Murthy V, Baker JE.
europepmc   +1 more source

Phototherapy via Modulation of β‐Amyloid in Combating Alzheimer's Disease

Aggregate, EarlyView.
This review introduces the light‐regulated Aβ aggregation, highlighting four applications: photodynamic therapy (PDT), photothermal therapy (PTT), photopharmacology, and photobiomodulation (PBM) systems. It also summarizes the current issues and proposes the prospects of photo‐induced modulation of Aβ aggregation and clearance as a therapeutic strategy
Yunhua Zhang, Chengyuan Qian, Yuncong Chen, Weijiang He, Zijian Guo   +4 more
wiley   +1 more source

Equipartitioning of Molecular Degrees of Freedom in MD Simulations of Gaseous Systems via an Advanced Thermostatization Strategy. [PDF]

J Chem Theory Comput
Gamper J, Gallmetzer JM, Listyarini RV, Weiss AKH, Hofer TS.   +4 more
europepmc   +1 more source