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  • WJPPS OCTOBER ISSUE PUBLISHED
  • OCTOBER 2018 Issue has been successfully launched on 1 October 2018

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Abstract

QUANTUM CHEMICAL ANALYSIS OF ETHANOL AND ITS INTERACTION WITH AMINO ACIDS AND DIPEPTIDES (CARNOSINE)

Nadia Limón Olmos, Carolina del Carmen Pérez Sánchez, Marcos Alberto Ramírez Perez, Temani Duran Mendoza, Maria Concepcion de la Cruz Leyva, Verónica Rodríguez Soria, Laura Contreras Mioni and Manuel González Perez*

ABSTRACT

Ethanol (EtOH) is a product highly consumed today; it is part of the daily life of the majority of the people. The objective of this investigation was to calculate the quantum interactions between EtOH, Amino Acids (AAs), and dipeptides of AAs. In particular, carnosine. The Hyperchem software and the Electron Transfer Coefficient (ETC) theory were used. As single substances in crossed bands, we found that the EtOH percentage works best as an antioxidant in 88.89% of all these possible interactions. As dipeptides, we made 800 interactive calculations with the EtOH molecule; we found that of the 800 interactions 260 (32.5%) are oxidants with high and medium probability and 540 (67.5%) are not oxidants. As a particular case, EtOH oxidizes carnosine. We conclude excess EtOH molecules can destroy the carnosine. We recommend that children, young people, and sports people should not ingest alcohol because it can damage its carnosine. Our calculations coincide with the medical literature and the Mediterranean diet.

Keywords: Ethanol, Amino Acids, Quantum Chemical, Carnosine, Dipeptides.


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