Dr. Manuel González Pérez

ABSTRACT
Nicotine (Nic o N) has caused much damage to humans. Exposure to
Nic during the development stage of the fetus can lead to several
disorders. The objective of this work was to calculate all possible
interactions of Nic vs. Nitrogen Bases (NB) for DNA and RNA using
Semi-Empirical Parameterized Method 3 (SE-PM3). These
calculations were performed using the molecular simulator Hyper
Chem (HC). The improved calculations were based on the novel
Electron Transfer Coefficient (ETC) theory posited by the authors in
previous work. This theory is the calculus of the ratio of dividing Band
Gap (BG) / Electrostatic Potential (EP). This ratio indicates the number
of multiples of its EP that the electron needs to jump its BG. As the
result, we calculated 36 Interactions Cross Band (ICB) of NB and 13
ICB of Nic vs. NB. We conclude that N can be confused with the A in the genesis of RNA
because the similar value of ETC (24.092 and 24.240) for the pairs pair A:U and N:U. It is
noted that the N gives an electron cloud in the same way that A does.
KEYWORDS: Nicotine, Nitrogenous bases, DNA and RNA, Quantum methods, SE-PM3

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Artículo publicado en European Scientific Journal

THEORETICAL CALCULATION OF ELECTRON TRANSFER COEFFICIENT FOR PREDICTING THE FLOW OF ELECTRONS BY PM3, USING 20 AMINO ACIDS AND NICOTINE

Dar clic en el siguiente enlace:

http://www.eujournal.org/index.php/esj/article/view/4318/4139

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