Results 91 to 100 of about 9,469,736 (295)

Quantum Chemical Design Guidelines for Absorption and Emission Color Tuning of fac-Ir(ppy)3 Complexes

Molecules, 2018
The fac-Ir(ppy)3 complex, where ppy denotes 2-phenylpyridine, is one of the well-known luminescent metal complexes having a high quantum yield. However, there have been no specific molecular design guidelines for color tuning.
Yoshiki Natori, Yasutaka Kitagawa, Shogo Aoki, Rena Teramoto, Hayato Tada, Iori Era, Masayoshi Nakano   +6 more
doaj   +1 more source

Donor‐Strength‐Driven Evolution From Charge‐Transfer to Polymethine Excited States in CurcBF2 Derivatives

Advanced Optical Materials, EarlyView.
Donor strength governs the excited‐state character and TADF behavior of donor‐acceptor‐donor borondifluoride curcuminoid derivatives. Increasing donor strength drives a transition from charge‐transfer TADF to a zwitterionic polymethine structure with predominantly local excited‐state emission and suppressed TADF.
Anthony D'Aléo, Guillaume Michaluszko, Amandine Coron, Dae‐Hyeon Kim, Alban de Gary, Danillo Valverde, Elena Zaborova, Emilie Couzigné, Lorry Engel, Loïc Mager, Gabriel Canard, Chihaya Adachi, Yoann Olivier, Jean‐Charles Ribierre   +13 more
wiley   +1 more source

Mitochondria and Neuromast Tagging With Fluorescent Gallium‐Triapine Analogues: In Cellulo MP FLIM and Zebrafish Live Imaging

Advanced Science, EarlyView.
Fluorescent BODIPY‐conjugated thiosemicarbazone ligands and their Ga(III), In(III), and Fe(III) complexes, inspired by Triapine, are developed as theranostic agents. Multiphoton FLIM and confocal microscopy in cancer cells and zebrafish reveal real‐time uptake, mitochondrial localisation, and whilst spectroscopic assays indicated preserved complex ...
Megan J. Green, Michael W. Jones, Merissa Saleem, Haobo Ge, Melita Tvardauskaite, Julia Dudzic, Fernando Cortezon‐Tamarit, Rory L. Arrowsmith, Charareh Pourzand, Gabriele Kociock‐Kohn, Nicholas H. Rees, Jonathan R. Dilworth, Stephen Faulkner, Stanley W. Botchway, David Gurevich, Sofia I. Pascu   +15 more
wiley   +1 more source

Understanding electron-withdrawing substituent effect on structural, electronic and charge transport properties of perylene bisimide derivatives

, 2011
Understanding electron-withdrawing substituent effect on structural, electronic and charge transport properties of perylene bisimide derivativesA series of n-type perylene bisimide (PBI) derivatives with electron-withdrawing substituents at both bay and ...
Wen, Shu-Hao, 韩克利, Han, Ke-Li, Chai, Shuo   +3 more
core   +1 more source

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

Hydrogen rearrangement in molecular ions of alkyl benzenes: Appearance potentials and substituent effects on the formation of [C7H8]+ ions [PDF]

, 1978
Kuck D, Grützmacher H-F. Hydrogen rearrangement in molecular ions of alkyl benzenes: Appearance potentials and substituent effects on the formation of [C7H8]+ ions. Organic Mass Spectrometry.
Grützmacher, Hans-Friedrich, Kuck, Dietmar   +1 more
core   +1 more source

Molecular Editing Reveals a Bilobalide Chemotype that Attenuates Prolyl Endopeptidase (PREP)‐Linked Neuroinflammation

Advanced Science, EarlyView.
Molecular editing of bilobalide uncovers BB56, a PREP‐engaging chemotype with enhanced anti‐inflammatory activity in microglia. Integrated CETSA‐MS, SAR, and pathway analyses link BB56 to attenuation of p38 MAPK/NF‐κB and NLRP3‐associated inflammatory signaling, highlighting bilobalide editing as a strategy for developing neuroinflammation‐modulating ...
Chanin Sillapachaiyaporn, Wenjing Wang, Yao Qin, Lili Yan, Stephan Scheeff, Xu He, Qiong Wu, Yue Lin, Jinsai Shang, Xin Ye, Jing Liu, Kailei Sun, Chun Wai Yeung, Junzhe Huang, Zhenghui Chen, Xiaodong Liu, Yiqun Geng, Shannon Wing Ngor Au, Bonaventure Y. Ip, Ho Ko, Billy Wai‐Lung Ng   +20 more
wiley   +1 more source

Perylenebisimide regioisomers: Effect of substituent position on their spectroscopic, electrochemical, and photovoltaic properties

, 2015
New disubstituent fluorinated perylenebisimide regioisomers were synthesized and characterized. The single-crystal structure of a 1,6-disubstituted perylenebisimide was elucidated for the first time, which revealed that the molecules are arranged in ...
Wang, Yang, Liu, Ying, Ai, Ling, Ouyang, Xinhua, Ge, Ziyi, Liu, Zhiyang   +5 more
core  

Substituent-Controlled Regioselective Photoinduced Cyclization of N‑Allylbenzamides with N‑Sulfonylaminopyridinium Salts

The annulation reactions of N-allylbenzamides with N-sulfonylaminopyridinium salts were developed under metal-free photoinduced mild conditions.
Xian Wu (309304), Changduo Pan (1492825), Zixian Yang (11734345), Chengjian Zhu (1492816), Jin-Tao Yu (1446985)   +4 more
core   +1 more source

Influência de efeitos estéricos na hidrólise ácida de o-alquil acetais do benzaldeído [PDF]

, 2003
Tese (doutorado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas. Programa de Pós-Graduação em Química.Investigação de efeitos estéricos sobre o centro reacional na hidrólise ácida de O-alquil acetais do benzaldeído ...
Belarmino, Alexanders Tadeu das Neves
core