A5044129599- Click Chemistry and Applications
- Spectroscopy and Quantum Chemical Studies
- Chemical Synthesis and Analysis
- Advanced Chemical Physics Studies
- Molecular Junctions and Nanostructures
- Advanced Sensor and Energy Harvesting Materials
- Supercapacitor Materials and Fabrication
- Peptidase Inhibition and Analysis
- Conducting polymers and applications
- Protein Degradation and Inhibitors
Korea Advanced Institute of Science and Technology
2022-2023
Institute for Basic Science
2022-2023
Kookmin University
2021
We report the density functional theory (DFT) guided discovery of ethynyl-triazolyl-phosphinates (ETPs) as a new class electrophilic warheads for cysteine selective bioconjugation. By using Cu
Highly transparent energy storage devices have attracted attention owing to their applications in innovative electronics and displays.
We employed the chemical potential equalization principle to demonstrate that fractional electrons are involved in electro-inductive effect as well vibrational Stark effect. By model, we were able deduce frontier molecular orbitals of immobilized molecules can provide valuable insight into these effects. To further understand and quantify findings, introduced charge density functional theory (FC-DFT), a canonical ensemble approach for open systems. This method allows calculation electronic...
We employed the chemical potential neutralization principle to demonstrate that fractional electrons are involved in electro-inductive effect as well vibrational Stark effect. By model, we were able deduce frontier molecular orbitals of immobilized molecules can provide valuable insight into these effects. To further understand and quantify findings, introduced charge density functional theory (FC-DFT), a canonical ensemble approach for open systems. This method allows calculation electronic...
Abstract Wir berichten über eine Dichtefunktionaltheorie (DFT)‐basierte Entdeckung von Ethinyl‐Triazolyl‐Phosphinaten (ETP) als neue Klasse elektrophiler Verbindungen für die selektive Biokonjugation Cystein. Mit Hilfe der Cu I ‐katalysierten Azid‐Alkin‐Cycloaddition (CuAAC) in wässrigem Puffer konnten wir Vielzahl funktioneller Bausteine, darunter auch Proteine, aus Diethynylphosphinat herstellen. verwendeten diese ETP‐Reagenzien, um fluoreszierende Peptid‐Konjugate Markierung Rezeptoren...
The fast and the furious: Ein DFT-Booster zur Beschleunigung der Cystein-Biokonjugation! In ihrem Forschungsartikel (e202205348) stellen Mu-Hyun Baik, Christian P. R. Hackenberger und Mitarbeiter Ethinyltriazolphosphinate (ETPs) als modulare Elektrophile für den unkomplizierten Einbau in komplexe Frachten Proteine Protein- Antikörpermodifizierungsstrategien vor (Titelbild: Barth van Rossum, FMP).