A protonated L-cysteine adsorption on gold surface
- The adsorption of protonated L-cysteine onto Au(111) surface was studied via molecular dynamics method. The detailed examination of trajectories reveals that a couple of picoseconds need to be strongly adsorbed at the gold surface via L-cysteine's sulfur and oxygen atoms. The average distances of L-cysteine's adsorbed sulfur and oxygen from gold plane are-2.7 angstrom and-3.2 angstrom, correspondingly. We found that the adsorption of L-cysteine takes place preferentially at bridge site with possibility of-82%. Discussing the conformation features of protonated L-cysteine, we consider that the most stable conformation of protonated L-cysteine is "reverse boat" position, where sulfur and oxygen pointed down to the gold surface, while the amino group is far from the gold surface.
| Author details: | Hrant H. Gharabekyan, Joachim KoetzORCiDGND, Armen H. PoghosyanORCiD |
|---|---|
| DOI: | https://doi.org/10.1016/j.colsurfa.2021.127452 |
| ISSN: | 0927-7757 |
| ISSN: | 1873-4359 |
| Title of parent work (English): | Colloids and surfaces : an international journal devoted to the principles and applications of colloid and interface science ; A, Physicochemical and engineering aspects |
| Subtitle (English): | a molecular dynamics study |
| Publisher: | Elsevier |
| Place of publishing: | Amsterdam |
| Publication type: | Article |
| Language: | English |
| Date of first publication: | 2021/08/28 |
| Publication year: | 2021 |
| Release date: | 2024/01/19 |
| Tag: | GOIP; MD simulations; adsorption; gold surface; l-cysteine; protonation |
| Volume: | 629 |
| Article number: | 127452 |
| Number of pages: | 7 |
| Funding institution: | Science Committee of MESA RA [T.1] |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
| DDC classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
| Peer review: | Referiert |
