Study of structure and effectiveness of asparagine composition in solvents using quantum mechanics

The licorice rhizome extract contains glucose, sucrose, asparagine, albumin, resin and essential oils. Asparagine is a type of unnecessary amino acid that is essential for maintaining balance in the central nervous system. The purpose of this paper is to investigate the structural parameters, energy band gap, HOMO-LUMO, electron friendliness, chemical potential, bond length, hardness, softness, polarity and bipolar momentum of the asparagine compound in gaseous phase as well as in acetonitrile, DMSO and water solutions.The calculations were performed using density functional theory with B3LYP method with base set 316G + (d, p).According to calculations The energy of the asparagine compound in the gaseous phase is greater than the solubility The presence of solvent in asparagine reduced the chemical hardness This decrease in water solvent is more than other solvents .The electron-friendliness of the water-soluble mixture of DMSO and acetonitrile is greater than that of the gas-phase compound of asparagine. Chemical potential analysis shows Reactivity with water solvent is higher than other solvents.