Exploring photobiological performance of ternary chemical combinations: Ultrasonic, spectroscopic investigations, photochemical reactivity, topology and antimicrobial evaluation of acetic acid trihydrate, 2-[(2-aminoacetyl) amino] acetic acid with methanamide

被引:1
|
作者
Dhanalakshmi, K. [1 ]
Loganathan, V. [2 ]
Susindhiran, S. [3 ]
Gnanasekar, A. [4 ]
Issaoui, Noureddine [5 ]
Kistan, A. [6 ]
Al-Dossary, Omar M. [7 ]
机构
[1] Mookambigai Coll Engn, Dept Phys, Pudukkottai 622502, Tamil Nadu, India
[2] Saveetha Engn Coll, Dept Comp Sci & Engn, Chennai 602105, India
[3] CARE Coll Engn, Dept Phys, Tiruchirappalli 620009, Tamil Nadu, India
[4] RMD Engn Coll, Dept Comp Sci & Engn, Tiruvallur 601206, India
[5] Univ Monastir, Fac Sci, Lab Quantum & Stat Phys LR18ES18, Monastir 5079, Tunisia
[6] Panimalar Engn Coll, Dept Chem, Chennai 600123, Tamil Nadu, India
[7] King Saud Univ, Coll Sci, Dept Phys & Astron, POB 2455, Riyadh 11451, Saudi Arabia
关键词
FT; -IR; UV; NMR; Chemical reactivity; Topology; Molecular docking; L-VALINE; THERMODYNAMIC PROPERTIES; DENSITY; WATER; COMPRESSIBILITY; VISCOSITIES; FORMAMIDE; MIXTURES; 298.15-K; 288.15-K;
D O I
10.1016/j.jphotochem.2024.115838
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Amino acids are the essential, structural units of proteins, peptides and assured types of hormones and antibiotics partake in all the physiological processes of a living cell. Protein cannot occur without the correct amalgamation of amino acids. Utmost of the studies on amino acids and biomolecules have been agreed out in pure and mixed aqueous/non-aqueous solutions. The aim of the present experimental investigation was to explore the interionic interactions between amino acid with electrolyte ternary solutions. In order to understand the intermolecular interactions, FT-IR, UV-Visible, 1HNMR and biological analysis were carried out. The spectral analysis had revealed that ternary mixture formed a trimolecular associated entity through H-bonding and electrostatic effects. HOMO LUMO energies and energy gap were also recognized. The lowest energy gap is observed for HOMOLUMO energy transition of ternary mixture at 3.6712 eV. MEP and topology parameters were achieved on Acetic Acid Trihydrate with 2-[(2-aminoacetyl) amino] acetic acid. Also thermodynamic properties (internal pressure, free volume) with respect to temperature were premeditated. In vitro, studies of the ternary combinations of the title compound are done against the 5C1C, 2FMA, 5IHR, 5NC0, 5EB4 biological proteins (E.Coli, Aspergillus niger).The 5NCO protein with ligand is observed least binding energy of -5.16 kcal/mol. Both theoretical and experimental studies suggest that the title molecule has been found to reduce several risk factors.
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页数:14
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