Platinum complexation with glutamate amino acid: Computational study

Article type: Research Article

Authors: Jahani, Seyedehdelaram^{; *} | Ghiasi, Mina

Affiliations: Department of Chemistry, Faculty of Physics & Chemistry, Alzahra University, Tehran, Iran

Correspondence: [*] Corresponding author: Seyedehdelaram Jahani, Department of Chemistry, Faculty of Physics & Chemistry, Alzahra University, Tehran, Iran. E-mail: [email protected].

Abstract: In this research work, complex formation of platinum (Pt) metal particle with the glutamate (Glu) amino acid was investigated by performing density functional theory (DFT) calculations. Such application could be very much important regarding the importance of developing metal based biosensors for biological media. To achieve the purpose of this work, two spin numbers of 0 and 1 were considered for Pt for locating separately towards neutral and anionic forms of Glu for Pt / Glu complexes formations. The obtained results of optimization and QTAIM analyses indicated various configurations for different spin numbers of Pt metal particle towards each of neutral and anionic forms of Glu. Existence of covalent bond was observed for most cases in addition to existence of weak van der Waals interactions for the complexes.

Keywords: Glutamate amino acid, platinum, density functional theory (DFT), QTAIM

DOI: 10.3233/MGC-210071

Journal: Main Group Chemistry, vol. 20, no. 4, pp. 547-556, 2021