Results 181 to 190 of about 90,335 (298)

Systematic C-C Bond Cleavage in Oligomers via Diels-Alder Reaction on Au(111). [PDF]

ACS Nano
Li D, Ohto T, Nishiuchi T, Takeuchi S, Nishide Y, Kimizuka H, Kubo T, Kawai S.   +7 more
europepmc   +1 more source

Active Learning‐Assisted Exploration of [PO40Mo12]3− for Alzheimer's Therapy Insights

Advanced Science, EarlyView.
Bayesian Optimization coupled with active learning to uncover the interaction mechanism of [PO40Mo12]3− on amyloid‐β peptide. Abstract Alzheimer's disease (AD), involving amyloid‐β (Aβ) aggregation, has potential therapeutic modulators in polyoxometalates (POMs) like [PMo12O40]3−.
Lincan Fang, Ruoxue Peng, Luping Xia, Gui‐lin Zhuang   +3 more
wiley   +1 more source

Accurate and Efficient Phonon Calculations in Molecular Crystals via Minimal Molecular Displacements. [PDF]

J Chem Theory Comput
Soprani L, Giunchi A, Bardini M, Meier QN, D'Avino G.   +4 more
europepmc   +1 more source

Q-model of electrode reactions: altering force constants of intramolecular vibrations

, 2018
Dmitry V. Matyushov, Marshall D. Newton
openalex   +2 more sources

Luminescent Nanocucurbits Enable Spatiotemporal Co‐Delivery of Hydrophilic and Hydrophobic Chemotherapeutic Agents

Advanced Science, EarlyView.
A cucurbit‐shaped luminescent nanoparticle (nanocucurbit) is engineered through the self‐assembly of polypeptides conjugated with aggregation‐induced emission (AIE) fluorophore. The resulting nanocucurbit exhibits approximately two‐fold higher cellular internalization efficiency compared to its spherical counterparts.
Ping Wei, Yunshan Ding, Shangning Liu, Jinhui Jiang, Jinghua Chen   +4 more
wiley   +1 more source

Enhancing Automation and Interpretability of Vibrational Spectra Predictions for Water Clusters from Diffusion Monte Carlo. [PDF]

J Phys Chem A
Zhu S, Madison LR.
europepmc   +1 more source

Hepatocyte‐Specific GSDMD Deficiency Aggravates Sepsis by Disrupting Non‐Canonical Secretion of Anti‐Inflammatory Factors

Advanced Science, EarlyView.
This study proposes for the first time that hepatic GSDMD plays a key protective role in sepsis. Hepatic GSDMD may release inflammatory inhibitory factors including VEGF‐B and Gremlin‐1 through pore‐forming activity to inhibit the production of inflammatory factors from macrophages, thereby alleviating the inflammatory response of septic mice ...
Yihan Qian, Bingrui Wang, Chang Yu, Yuge Zhou, Weifan Huang, Xing Rong, Yali Sang, Jiangang Song, Hailong Wu, Xiaoni Kong   +9 more
wiley   +1 more source

Ion Translocation Driven by Electric Field Generated in Excited-State Reactions. [PDF]

Acc Chem Res
Qu HT, Demchenko AP, Koshevoy IO, Chou PT.   +3 more
europepmc   +1 more source

O/C Ratio‐Driven Fluorescence Enhancement in Cellulose‐Derived Carbon Quantum Dots: Mechanistic Insights into Reaction Pathways

Advanced Science, EarlyView.
Three types of CQDs are prepared from cellulose and its derivatives via hydrothermal carbonization. An increase in the atomic O/C ratio from 0.25 to 0.61 results in a nearly seven‐fold enhancement in QY. DFT calculations verify this mechanism. Further, this study elucidates the formation pathways of cellulose‐derived CQDs and proposes a fluorescence ...
Yarong Shi, Siyu Zhao, Xiheng Kang, Xinrui Chen, Xue Ou, Meng Nan Chong, Xueping Song, Zhanying Zhang   +7 more
wiley   +1 more source

Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals. [PDF]

Chem Sci
Guo W, Zhao H, Wang M, Si L, Yang K, Xia G, Wang H.   +6 more
europepmc   +1 more source