MolecularDesign相关论文
In recent years,porphyrins with a similar structure to chlorophyll are often used as photosensitizers or reaction center......
JNK1 is a drug target for the treatment of type 2 diabetes,and it plays a key mediator role in metabolic disorders.In th......
Flame-retarding battery cathode materials based on reversible multi-electron redox chemistry of phen
Polymeric organic battery materials are promising alternatives to the transition-metal-based ones owing to their enriche......
Enhancing the Photovoltaic Performance of Benzodithiophene-Based Copolymers by Rational Molecular De
Polymer solar cells (PSCs) have attracted an amount of attention in recent years due to the potential advantages of PSCs......
Theoretical screening of high-efficiency sensitizers with D-π-A framework for DSSCs by altering prom
Various types of organic dyes were synthesized to enhance efficiency over past years.Understanding structure-property re......
To construct π-molecules with different structures is one of the key points in the research field of opto-electronic ma......
Structural basis of a potent peptide inhibitor designed for Kv1.3 channel,a therapeutic target of au
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31 samples of 3,4-disubstituted benzylideneanilines(XBAY)with specified UV-Vis absorption maximum wavelength(vmax)were d......
Enhancing Specificity in the Janus Kinases:A Study on the Thienopyridine JAK2 Selective Mechanism Co
The selective inhibition for JAK2 over the other JAK family kinases(JAK1,JAK3 and TYK2),avoiding the side effects effect......
Compared with the traditional silicon-based solar cells,the dye-sensitized solar cells(DSSCs)have the characteristics of......
Achieving Enhancive Phosphorescence through Aggregation-Induced Intersystem Crossing:A Theoretical S
Pure organic phosphorescent molecules are promising compounds for application of phosphorescence because of their low co......
Ricin is a highly lethal toxin.Anti-ricin chineric monoclonal antibody (mAb) C4Cl3 was prepared in our lab;however, its ......
Poly (ethylene-oxide) (PEO)-based membranes have attracted much attention recently for CO2 separation because CO2 is hig......
Polymer solar cells(PSCs)based on non-fullerene acceptors,also known as fullerene-free PSCs(NF-PSCs),have great pote......
Calculation aided miscibility manipulation enables highly efficient polythiophene:nonfullerene photo
Polythiophenes,with merits of low cost and high scalability of synthesis,have received growing interest in organic solar......
A Mechanism-based 3D-QSAR and DFT Approach for the Prediction of H5N1 Entry Inhibitory Potency of 3-
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从分子结构与性能之间的关系进行分子设计，分析确定了新型降凝剂的结构，并从热力学角度模拟降凝剂与油品的液固相平衡，为降凝机理提供......
