Investigating the Possibility of Measuring Phenolic Compounds in Brown Sugar by DFT Method

Subject Areas : Microbiology

P. Mesgaran Karimi ¹ , M. Honarvar ²

1 - M. Sc. Student of the Department of Food Science and Technology, Science and Research Branch, Islamic Azad University, Tehran, Iran.
2 - Associate Professor of the Department of Food Science and Technology, Science and Research Branch, Islamic Azad University, Tehran, Iran.

Received: 2019-02-07 Accepted : 2019-02-07 Published : 2019-03-21

Keywords: antioxidant, Bond Desociation Energy (BDE), Density Function Theory (DFT), Ionization Enthalpy,

Abstract :

Introduction: Sugar cane and the sugar produced from this plant contain various phenolic compounds with reasonable antioxidant potential. Therefore the aim of this study is to investigate the possibility of measuring phenolic compounds in brown sugar by DFT method. Materials and Methods: In this research work, sugar in second and third stages of cooking were sampled and by application of high performance liquid chromatography, the quality and the ratio of phenolic compounds were identified and determined. In the second stage, and for the first time, using the advanced computational method, the DFT density theory, based on Bond Desociation Energy (BDE) and Ionization Potential (IP), the antioxidant property of these types of compounds were obtained. For these calculations, particular attention has been paid to thermodynamic properties based on corrected enthalpy energy. Results: The results indicated that by comparing BDE and IP, the identified compounds showed that chenifrol alcohol had the highest and benzoic acid had the least antioxidant activity in both sugar cooking batch(II) and sugar cooking batch(III). Conclusion: Based on the findings, it was concluded that phenolic compounds identified in sugar cooking batch(II) and sugar cooking batch(III), benzoic acid and chenifrol alcohol have the least and the highest antioxidant properties respectively.

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