title: Evaluation of the efficiency and safety in cosmetic products.
abstract: Chemicals used in cosmetics have to interact with enzymes for beneficial or destroy purpose after they enter in our body. Active sections of enzymes that catalyze reactions have three dimensions and they are active optically. When these limitations of catalytic sections are considered, it may be considered that defining geometric specifications of chemical materials and functional groups they contain may contribute on safety evaluations of cosmetic products. In this study, defining similarities and differences of geometric structures of chemicals that are prohibited to be used in cosmetic products and chemical that are allowed to be used by using group theory and analyze of functional groups that are often encountered in these chemicals are aimed. Molecule formulas related to chemical material of, 276 pieces chemicals that are prohibited to be used in cosmetic products and 65 pieces chemicals that are allowed, are used as the material. Two and three-dimension structures of these formulas are drawn and types and quantity of functional groups they contain are defined. And as a method, freeware (Free Trial) version of "Chem-BioOffice Ultra 13.0 Suite" chemical drawing program to draw two and three-dimension of formulas, "Campus-Licensed" version that are provided for use by our university of "Autodesk 3DS Max" for three-dimension drawings are used. In order to analyze geometric specifications of drawn molecules according to Group Theory and define type and quantity of available functional groups, Excel applications developed by Prof. Dr. Yaşar Demir are used.
authors.affiliation: Mugla Sitki Kocman University, Faculty of Science, Department of Chemistry, 48000, Kotekli, Mugla, Turkey.
authors.forename: Meryem
authors.initials: M
authors.lastname: Uckaya
authors.affiliation: Bezmialem Vakif University, Faculty of Pharmacy, Department of Biochemistry, 34093, Fatih, Istanbul, Turkey.
authors.forename: Fatih
authors.initials: F
authors.lastname: Uckaya
authors.affiliation: Mugla Sitki Kocman University, Faculty of Science, Department of Chemistry, 48000, Kotekli, Mugla, Turkey.
authors.forename: Nazan
authors.initials: N
authors.lastname: Demir
authors.affiliation: Mugla Sitki Kocman University, Faculty of Science, Department of Chemistry, 48000, Kotekli, Mugla, Turkey. Electronic address: yasdemir@mu.edu.tr.
authors.forename: Yasar
authors.initials: Y
authors.lastname: Demir
mesh_terms: D003257:Consumer Product Safety; D003358:Cosmetics / Q000737:chemistry* / Q000633:toxicity; D004798:Enzymes / Q000378:metabolism*; D006801:Humans; D008958:Models, Molecular; D021281:Quantitative Structure-Activity Relationship
chemical_list: D003358:Cosmetics; D004798:Enzymes
keywords: Cosmetic; Enzyme; Group theory; Safety; Three-dimensional structure