In silico Complexes of Amino Acids and Diamondoids
| Autor: | Pouya Partovi-Azar, Maria Fyta, Chandra Shekar Sarap |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
chemistry.chemical_classification
Chemistry Stereochemistry Biomolecule Tryptophan Phenylalanine 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Diamondoid 01 natural sciences Atomic and Molecular Physics and Optics 0104 chemical sciences Amino acid Molecule Physical and Theoretical Chemistry Tyrosine 0210 nano-technology Topology (chemistry) |
| Zdroj: | ChemPhysChem. 20:2166-2170 |
| ISSN: | 1439-7641 1439-4235 |
| DOI: | 10.1002/cphc.201900394 |
| Popis: | We report on the specific interaction of a small diamond-like molecule, known as diamondoid, with single amino-acids forming nano/bio molecular complexes. Using time-dependent density-functional theory calculations we have studied two different relative configurations of three prototypical amino acids, phenylalanine, tyrosine, and tryptophan, with the diamondoid. The optical and charge-transfer properties of these complexes exhibit amino acid and topology specific features which can be directly utilized for in the direction of novel biomolecule detection schemes. |
| Databáze: | OpenAIRE |
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