Modeling of neotame and fructose thermochemistry: Comparison with mono and divalent metal ions by Computational and experimental approach.

ABSTRACT: The metal complexes can demonstrate various interesting biological activities in the human body. However, the role of certain metal ions for specific cell activities is still subject to debate. This study is aimed at comparing the thermochemical properties of neotame (artificial sweetener) and α, β-fructose in gas phase and water medium. The interaction of α and β-fructose, neotame with monovalent and divalent metal ions was studied and comprehended by density functional theory (DFT) using B3LYP functional, 6-311 + G (d, p) and D3 basis set. Metal ion affinities (MIA) values depicted that ionic radius of metal ions played an important role in the interaction of α, β-fructose and neotame. The ∆G parameter was calculated to predict and understand the interaction of metal ions with α and β-fr

SUBMITTER: Sharma D 

PROVIDER: S-EPMC6895154 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature