The active sites of enzymes that interact with chemicals are three-dimensional and optically active. Taking into consideration the properties of catalytic sites, it is considered that determining the geometric properties of the chemical substances and the functional groups that they have might make a contribution to the assessment of the safety of food additives. Obtaining the toxicological data of chemicals is a time-requiring and challenging process. Since the number of chemical compounds is significantly high, it is not possible to perform a toxicological assessment for each. Therefore, it is important to predict if toxic or not by using the formulas of chemical compounds. In this study, differences between the geometric structures of chemical compounds (control group) constituting the nutrients were analyzed in terms of consumption and those of food additives added into the food in order to have aroma, flavor and color, by means of group theory. This study aims to predict if food chemicals can be toxic or not using point group analysis. As a material, molecules consisting of food additives, chemical formulas of amino acids, sugars, fatty acids, and secondary metabolites and additives used to regulate the properties of foods have been used in the study. Two and three-dimensional structures of these formulas have been drawn and point groups have been determined. As a method, Campus-licensed versions of ChemDraw 19.0 and Gaussian 09W have been used to draw two and three-dimensional structures of formulas and to carry out the molecular calculations respectively, which are presented by our University. GaussView 6.0 (Free) has been used to analyze the geometrical properties of the molecules
based on Group Theory.
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