Investigation of cranberry, turmeric and strawberry fruits with calculative chemistry method

Oxidative stress has been shown to play a role in the pathogenesis of lifestyle-related diseases such as atherosclerosis, hypertension, cardiovascular, neurological diseases, inflammatory disorders, diabetes, ischemic diseases and malignancies, particularly cancer. The modern man's lifestyle and eating habits result in his use of food supplements to raise energy levels, support the immune system, and take advantage of various health benefits.As in all over the world, the use of supplements in our country is increasing day by day. The choice of products with the right content is very important for the expected effect to be taken. During the production, the quality of the selected raw material, its activity, the type of the molecule standardized in plant extracts becomes important. In this study, computational chemistry methods were used in order to determine the antioxidant activity of 10 phenolic compounds which are likely to have antioxidant activity of cranberry, turmeric and strawberry fruit.To analyze the antioxidative capacity of the compounds to be analyzed, three main antioxidant mechanisms, HAT, SET-PT and SPLET, are modeled.Geometry optimizations, molecular identifiers, single point and HOMO-LUMO energies were calculated by Gaussian09 program with DFT // B3LYP / 6FT31 + Gdp method and visualizations were performed by using GaussView 5.0. The study was carried out in two phases as gas and water.