ISSN 2305-6894

Role of vitamin C in the protection of the gum and implants in the human body: theoretical and experimental studies

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1 College of pharmacy, The Islamic University, Najaf, 54001, Iraq
2 Department of Biochemistry, College of Medicine, University of Thi-Qar, Nasiriyah, Iraq
3 Chemistry Department, University of Baghdad, College of Science for Women, Iraq
4 Faculty of Biology and Ecology, Yanka Kupala State University of Grodna, Grodna, Belarus
5 Department of Dentistry, Kut University College, Kut, Wasit, 52001, Iraq
6 College of Medical Technology, Islamic University, Najaf, Kufa Street, 54001, Iraq
7 Dentistry Department, Al-Rasheed University College, Iraq

Abstract: The article describes a study on the role of vitamin C as a protective agent for the teeth, gum, and implants using quantum chemical calculations and polarization tests. The Density Functional Theory (DFT) at 6-311G (d, p) basis set is used to estimate the ability of vitamin C to inhibit the corrosion of the abovementioned parts. The experimental study was performed in a at human body media simulator (Hank’s balanced salt solution) at a temperature of 37°C. The compound was optimized for its ground state, physical properties, and corrosion parameters. Further, HOMO, LUMO, energy gap, dipole moment, and other parameters were used to predict the inhibitor’s efficiency. Gaussian 09, UCA-FUKUI, MGL tools, DSV, and LigPlus software was used. According to electron density, Electrostatic Surface (ESP), Total Electron Density (TED), FUKUI function, and dual descriptor were used to show the active sites of adsorption. Also, docking studies were applied to predict the effect of vitamin C on A. ferrooxidans bacteria, which causes eroding the implants. The Ti6Al4V alloy was tested at three concentrations of the VC inhibitor using the polarization method. A concentration of 55 mg/L is the best in terms of inhibitor efficiency (99.62%).

Keywords: vitamin C, implants, Hank’s balanced solution, docking, FUKUI, dual descriptor

Int. J. Corros. Scale Inhib., , 10, no. 3, 1213-1229
doi: 10.17675/2305-6894-2021-10-3-22

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