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This chapter details the molecular bases and biological relevance of this regulation of bone mass accrual by leptin.The tendency of edifenphos (EDF) species toward boron carbide nanotube (BC3NT) was investigated through density functional theory (DFT) calculations with perfect and defected forms. It was found that perfect BC3NT tube is not capable to adsorb the EDF molecules appropriately. Introducing defects in BC3NT lattice resulted in a noticeable enhancement of interaction with EDF providing the adsorption energy of - 25.66 kcal/mol.