Molecular Design Strategy for Simultaneously Strong Luminescence and High Mobility: Multichannel CH-π Interaction

2021 ◽  
Vol 12 (2) ◽  
pp. 938-946
Author(s):  
Meihui Liu ◽  
Yuling Wei ◽  
Qi Ou ◽  
Peiyi Yu ◽  
Guo Wang ◽  
...  
Keyword(s):  
Molecular Design ◽  
High Mobility ◽  
Design Strategy ◽  
Strong Luminescence

scholarly journals Molecular design strategy to alleviate environmental interference on two-photon fluorescence probes

2021 ◽  
Vol 2 (6) ◽  
pp. 100471
Author(s):  
Xingxing Zhang ◽  
Tianbing Ren ◽  
Qianling Zhang ◽  
Ting Zeng ◽  
Zhe Li ◽  
...  
Keyword(s):  
Molecular Design ◽  
Design Strategy ◽  
Fluorescence Probes ◽  
Two Photon ◽  
Two Photon Fluorescence ◽  
Photon Fluorescence ◽  
Environmental Interference

Rational design and crystal structure prediction of ring-fused double-PDI compounds as n-channel organic semiconductors: a DFT study

2021 ◽  
Author(s):  
Suryakanti Debata ◽  
Smruti R. Sahoo ◽  
Rudranarayan Khatua ◽  
Sridhar Sahu
Keyword(s):  
Crystal Structure ◽  
Charge Transport ◽  
Organic Semiconductors ◽  
Structure Prediction ◽  
Rational Design ◽  
Molecular Design ◽  
Design Strategy ◽  
Dft Study ◽  
Crystal Structure Prediction ◽  
Model Compounds

In this study, we present an effective molecular design strategy to develop the n-type charge transport characteristics in organic semiconductors, using ring-fused double perylene diimides (DPDIs) as the model compounds.

scholarly journals Molecular Design of Thermally Activated Delayed Fluorescent Emitters for Narrowband Orange−Red OLEDs: Boosted by a Cyano-Functionalization Strategy

2021 ◽  
Author(s):  
Yang Liu ◽  
Xin Xiao ◽  
Ran You ◽  
Zhengyang Bin ◽  
Jingsong You
Keyword(s):  
Molecular Design ◽  
Design Strategy ◽  
Color Purity ◽  
Thermally Activated ◽  
Red Oleds

The establishment of simple molecular design strategy to realize red-shifted emission while maintaining good color purity for multi-resonance induced thermally activated delayed fluorescent (MR-TADF) materials remains an appealing yet challenging...

Development of High‐Capacity and Water‐Lean CO 2 Absorbents by a Concise Molecular Design Strategy through Viscosity Control

ChemSusChem ◽  
2019 ◽  
Vol 12 (23) ◽  
pp. 5164-5171 ◽  
Author(s):  
An‐Hua Liu ◽  
Jie‐Jie Li ◽  
Bai‐Hao Ren ◽  
Xiao‐Bing Lu
Keyword(s):  
Molecular Design ◽  
High Capacity ◽  
Design Strategy

scholarly journals Molecular design strategy for practical singlet fission materials: The charm of donor/acceptor decorated quinoidal structure

CCS Chemistry ◽  
2021 ◽  
pp. 1-17
Author(s):  
Long Wang ◽  
Xiaomei Shi ◽  
Shishi Feng ◽  
WanZhen Liang ◽  
Hongbing Fu ◽  
...  
Keyword(s):  
Molecular Design ◽  
Design Strategy ◽  
Singlet Fission ◽  
Donor Acceptor

Molecular design towards suppressing electron recombination and enhancing the light-absorbing ability of dyes for use in sensitized solar cells: a theoretical investigation

2018 ◽  
Vol 42 (15) ◽  
pp. 12891-12899 ◽  
Author(s):  
Ping Li ◽  
Chongping Song ◽  
Zhixiang Wang ◽  
Jiaqi Li ◽  
Houyu Zhang
Keyword(s):  
Solar Cells ◽  
Theoretical Investigation ◽  
Light Harvesting ◽  
Molecular Design ◽  
Design Strategy ◽  
Electron Recombination ◽  
Sensitized Solar Cells

We report a molecular design strategy with a comprehensive consideration of both inhibiting electron recombination and enhancing the light-harvesting ability.

scholarly journals Design and Synthesis of N-phenyl Phthalimides as Potent Protoporphyrinogen Oxidase Inhibitors

Molecules ◽  
2019 ◽  
Vol 24 (23) ◽  
pp. 4363
Author(s):  
Wei Gao ◽  
Xiaotian Li ◽  
Da Ren ◽  
Susu Sun ◽  
Jingqian Huo ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Enzyme Activity ◽  
Molecular Docking ◽  
Molecular Design ◽  
Design Strategy ◽  
Docking Studies ◽  
Activity Assay ◽  
Enzyme Activity Assay ◽  
Protoporphyrinogen Oxidase ◽  
Design And Synthesis

Protoporphyrinogen oxidase (PPO) has been identified as one of the most promising targets for herbicide discovery. A series of novel phthalimide derivatives were designed by molecular docking studies targeting the crystal structure of mitochondrial PPO from tobacco (mtPPO, PDB: 1SEZ) by using Flumioxazin as a lead, after which the derivatives were synthesized and characterized, and their herbicidal activities were subsequently evaluated. The herbicidal bioassay results showed that compounds such as 3a (2-(4-bromo-2,6-difluorophenyl) isoindoline-1,3-dione), 3d (methyl 2-(4-chloro-1,3-dioxoisoindolin-2-yl)-5-fluorobenzoate), 3g (4-chloro-2-(5-methylisoxazol-3-yl) isoindoline-1,3-dione), 3j (4-chloro-2-(thiophen-2-ylmethyl) isoindoline-1,3-dione) and 3r (2-(4-bromo-2,6-difluorophenyl)-4-fluoroisoindoline-1,3-dione) had good herbicidal activities; among them, 3a showed excellent herbicidal efficacy against A. retroflexus and B. campestris via the small cup method and via pre-emergence and post-emergence spray treatments. The efficacy was comparable to that of the commercial herbicides Flumioxazin, Atrazine, and Chlortoluron. Further, the enzyme activity assay results suggest that the mode of action of compound 3a involves the inhibition of the PPO enzyme, and 3a showed better inhibitory activity against PPO than did Flumioxazin. These results indicate that our molecular design strategy contributes to the development of novel promising PPO inhibitors.

Facile fabrication of self-shrinkable AIE supramolecular gels based on benzophenone salicylaldehyde hydrazine derivatives

2020 ◽  
Vol 8 (39) ◽  
pp. 13705-13711
Author(s):  
Yao Ma ◽  
Baoxi Li ◽  
Kexin Zhang ◽  
Qing Wan ◽  
Zoran Džolić ◽  
...  
Keyword(s):  
Molecular Design ◽  
Design Strategy ◽  
Hydrazine Derivatives ◽  
Emission Enhancement ◽  
Supramolecular Gels ◽  
Facile Fabrication

A novel molecular design strategy to give self-shrinkable AIE-active supramolecular gels with a variation in the morphology and an obvious emission enhancement via benzophenone salicylaldehyde hydrazine (BSH) derivatives was reported.

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