UJI REAKTIVITAS AKRILAMIDA, BENZOPIREN, DCP, DAN 3-MCPD, TERHADAP ADENIN DAN GUANIN MENGGUNAKAN METODE KOMPUTASI.

• Main Author: RAHMADANI, ANGGA
• Format: Final Project
• Language: Indonesia
• Online Access: https://digilib.itb.ac.id/gdl/view/72744
• Institution: Institut Teknologi Bandung

Molecular study of DNA-carcynogen interaction can be carried out using different methods. Computational method is an alternative method to experimental methods which can be carried out in silico by applying computer progam. This paper describe the reactivity study of acrylamide, benzo[a]pyrene, DCP and 3-MCPD, as food contaminants having carcinogenic potency, against adenine and guanine using computational method. The carcinogenic potencies of these contaminants can be predicted from their physicochemicals parameters which can be calculated by computational method. Identification and characterization of acrylamide, benzo[a]piren, DCP and 3-MCPD carcinogenicity’s based on calculation’s results of physico-chemical parameters using semi-empirical and molecular mechanic calculations. Both are calculation methods from hyperchem’s software. Acrylamide has the lowest result of log P, molecular weight, and ionization energy among other contaminants. 3-MCPD has the lowest steric hindrance among other contaminants. Acrylamide has the strongest bonding with adenine and guanine among other contaminants. Based on these result, acrylamide was predicted to be a contaminant with the highest carcinogenic potency. The result of carcinogenic potencies with descending reactivity : acrylamide, MCPD, benzo(a)pyrene, DCP.