Study of the Local Reactivity of Valeric Acid and its derivatives in the context of PDT

Authors

  • Nicol Flores-Mancilla Molecular Engineering Research Center, Catholic University of Santa María. Arequipa, Peru.
  • Pamela Gamero-Begazo Molecular Engineering Research Center, Catholic University of Santa María. Arequipa, Peru.

DOI:

https://doi.org/10.21754/tecnia.v28i1.193

Keywords:

Valerenic acid, Fukui functions, nucleophiles

Abstract

The valeric acid derivatives were studied, both derived amines (07) and esters (04). The structures were optimized to their fundamental state, which were characterized by respective frequency calculations. The analysis of the global and local reactivity of all the structures was performed, finding little relevance in the information of the global indexes. The local reactivity indexes, such as the Fukui Functions, were really enriching of the knowledge of the valeric acid systems, for their potential in the reaction with the GABA receptor. Likewise, now report that the substituting effect is only carried out for the case of reactions with nucleophiles, but it is not very relevant in the reactions with electrophiles, being the electron attractors the ones that help in an improvement of the center reactivity power

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Published

2018-06-01

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[1]
N. Flores-Mancilla and P. Gamero-Begazo, “Study of the Local Reactivity of Valeric Acid and its derivatives in the context of PDT”, TECNIA, vol. 28, no. 1, pp. 37–44, Jun. 2018.

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Vol. 28 No. 1 (2018)

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