Nano theoretical Study of Different Solvents and Temperatures Effects on Beta Carotene Anticancer Properties by Computational Methods
Publish Year: 1395
نوع سند: مقاله کنفرانسی
زبان: English
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شناسه ملی سند علمی:
NCNNN01_138
تاریخ نمایه سازی: 4 مهر 1396
Abstract:
Cancer is described like a hocus pocus in our daily life, as growth, duplication and rarely unnatural proliferation of body cells. Free radicals are one of major factors that create cancer by oxidation. Nowadays, herbal materials are considered as one of anticancer drugs. This study is about anticancer properties of Beta carotene in carrot (Umbellifera Family) by Quantum Mechanic and Molecular Mechanic Calculation (QM/MM), NMR, Thermodynamic properties, vibration frequency, charge distribution and temperature effects are studied. It has the most negative Gibbs free energy. we can say that by increasing the molecule dipole moment, the interaction between molecules of solvent and solute will increase. Thus, interaction of solute molecules will decrease, which affects Gibbs free energy and entropy
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Authors
Sara Karim Dizani
Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran
Ilia Rezazadeh
Department of Biology, Tehran North Branch, Islamic Azad University, Tehran, Iran
Reza Rasoolzadeh
Department of Biology, Science and Research Branch, Islamic Azad University, Tehran, Iran