A5100375522- Molecular Junctions and Nanostructures
- Supramolecular Chemistry and Complexes
- Organic Electronics and Photovoltaics
- Luminescence and Fluorescent Materials
- Photochromic and Fluorescence Chemistry
- Conducting polymers and applications
- Computational Drug Discovery Methods
- Polymer crystallization and properties
- Advanced biosensing and bioanalysis techniques
- Machine Learning in Bioinformatics
- Nonlinear Optical Materials Research
- Electron and X-Ray Spectroscopy Techniques
- Surface and Thin Film Phenomena
- Fullerene Chemistry and Applications
- Bioinformatics and Genomic Networks
- Advanced Electron Microscopy Techniques and Applications
- Synthesis and biological activity
- Polymer Nanocomposite Synthesis and Irradiation
- Supramolecular Self-Assembly in Materials
- Electrochemical Analysis and Applications
- Cholinesterase and Neurodegenerative Diseases
- Surface Chemistry and Catalysis
- Advanced Physical and Chemical Molecular Interactions
Wuhan University
2012-2023
University of Oxford
2008
Xiangtan University
2005
Intermolecular charge transport is one of the essential modes for modulating in molecular electronic devices. Supermolecules are highly promising candidates devices because their abundant structures and easy functionalization. Herein, we report an efficient strategy to enhance through pillar[5]arene self-assembled monolayers (SAMs) by introducing cationic guests. The current density SAMs can be raised up about 2.1 orders magnitude inserting molecules into cavity pillar[5]arenes SAMs....
The EC numbers represent enzymes and enzyme genes (genomic information), but they are also utilized as identifiers of enzymatic reactions (chemical information). In the present work (ECAssigner), our newly proposed reaction difference fingerprints (RDF) applied to assign reactions. reactant molecules minus product will generate fingerprints, which then used calculate Euclidean distance, a similarity measurement, two number most similar training be assigned an input reaction. For 5120...
Abstract Intermolecular charge transport is one of the essential modes for modulating in molecular electronic devices. Supermolecules are highly promising candidates devices because their abundant structures and easy functionalization. Herein, we report an efficient strategy to enhance through pillar[5]arene self‐assembled monolayers (SAMs) by introducing cationic guests. The current density SAMs can be raised up about 2.1 orders magnitude inserting molecules into cavity pillar[5]arenes...
Abstract Density functional theory calculations have been carried out for monomers of polymers at the B3LYP/6‐31G(d) level. The quantum chemical descriptors calculated results, which are molecular average polarizability, most positive net atomic charge on hydrogen atoms in a molecule, energy lowest unoccupied orbital, and dipole moment, used to predict cohesive with structure (C 1 H 2 C R 3 4 ). A general quantitative structure–property relationship model, correlation coefficient = 0.986...
Counterions always coexist with charged peptides in charge transport processes, which are excellent candidate components for tunable molecular electronic devices. Here, we introduced hard-soft acid base theory to analyze the counterion-modulated peptide transport. We demonstrate that is improved by enhanced peptide-counterion interactions.
Non-covalent interaction modulation is a promising strategy to guide the design of applicable (supra)molecular electronics. A rare investigation relationship between host–guest and supramolecular charge transport reported by Cunlan Guo, Shigui Chen et al. in their Research Article (e202216987). The current density through pillar[5]arenes-based self-assembled monolayers can be raised up ~2.1 orders magnitude after introduction cationic guest molecules, providing new route for molecular...