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.
Keywords: TDDFT; amino-acids; charge dynamics; computational chemistry; diamondoids.
© 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.