RuC nanosheet as a promising biosensing material for detecting the aromatic amino acids: a DFT study.

ABSTRACT: Density functional theory (DFT) calculations were performed to examine the potential of the RuC nanosheet as a biosensor towards the aromatic amino acids (AAA; tryptophan (TRP), histidine (HIS), tyrosine (TYR), and phenylalanine (PHE)). The AAA molecules were placed vertically and horizontally with respect to the RuC surface and then subjected to geometrical relaxation. According to the geometry relaxation results, it was found that all AAA molecules preferred to be adsorbed on the RuC surface in a horizontal configuration rather than a vertical one, except the HIS molecule, which desired to be vertically adsorbed on the RuC nanosheet. From the energy manifestations, the adsorption process within the TRP⋯RuC complexes had the greatest desired negative adsorption energy (E _ads</

SUBMITTER: Ibrahim MAA 

PROVIDER: S-EPMC11528694 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature