New QSAR and Solvatochromic Estimation of Molecular Parameters of Chlortetracycline

Gritco-Todirascu, Antonina; Creanga, Dorina Emilia; Ivan, Liliana Mihaela; Dorohoi, Dana Ortansa; Ciubara, Anamaria

Antonina Gritco-Todirascu, Dorina Emilia Creanga, Liliana Mihaela Ivan, Dana Ortansa Dorohoi, Anamaria Ciubara

New QSAR and Solvatochromic Estimation of Molecular Parameters of Chlortetracycline

Abstract:

The present paper is focused on determination of the main parameters of Chlortetracycline. Chlortetracycline belongs to one of the most used family of antibiotics worldwide, Tetracyclines. Because of the large spectrum of infections which can be treated with this category of antibiotics there are attempts to find new derivatives from this class. The compounds derived from the same basic structure exhibit same chemical properties, that is why knowing in detail the main physico-chemical properties of Chlortetracycline could be a real help in synthesize new efficient derivatives. In order to evaluate the reactivity and biological activity HyperChem was used to establish the optimized structure, the electro-optical, the energetic and QSAR parameters. The solvatochromic methods allowed determining the intermolecular interactions types and their contribution to the spectral shifts of measured electronic absorption bands. Based on computational and solvatochromic results, the excited state dipole moment of Chlortetracycline was established by variation method.

Keywords:
chlortetracycline; QSAR; solvatochromism; excited dipole moment

Issue: 2020, Volume 71, Issue 2

Pages: 121-127

Publication date: 2020/3/3

https://doi.org/10.37358/RC.20.2.7904

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This article is published under the Creative Commons Attribution 4.0 International License

Citation Styles

Cite this article as:
GRITCO-TODIRASCU, A., CREANGA, D.E., IVAN, L.M., DOROHOI, D.O., CIUBARA, A., New QSAR and Solvatochromic Estimation of Molecular Parameters of Chlortetracycline, Rev. Chim., 71(2), 2020, 121-127.

Vancouver
Gritco-Todirascu A, Creanga DE, Ivan LM, Dorohoi DO, Ciubara A. New QSAR and Solvatochromic Estimation of Molecular Parameters of Chlortetracycline. Rev. Chim.[internet]. 2020 Feb;71(2):121-127. Available from: https://doi.org/10.37358/RC.20.2.7904

APA 6th edition
Gritco-Todirascu, A., Creanga, D.E., Ivan, L.M., Dorohoi, D.O. & Ciubara, A. (2020). New QSAR and Solvatochromic Estimation of Molecular Parameters of Chlortetracycline. Revista de Chimie, 71(2), 121-127. https://doi.org/10.37358/RC.20.2.7904

Harvard
Gritco-Todirascu, A., Creanga, D.E., Ivan, L.M., Dorohoi, D.O., Ciubara, A. (2020). 'New QSAR and Solvatochromic Estimation of Molecular Parameters of Chlortetracycline', Revista de Chimie, 71(2), pp. 121-127. https://doi.org/10.37358/RC.20.2.7904

IEEE
A. Gritco-Todirascu, D.E. Creanga, L.M. Ivan, D.O. Dorohoi, A. Ciubara, "New QSAR and Solvatochromic Estimation of Molecular Parameters of Chlortetracycline". Revista de Chimie, vol. 71, no. 2, pp. 121-127, 2020. [online]. https://doi.org/10.37358/RC.20.2.7904

Text
Antonina Gritco-Todirascu, Dorina Emilia Creanga, Liliana Mihaela Ivan, Dana Ortansa Dorohoi, Anamaria Ciubara,
New QSAR and Solvatochromic Estimation of Molecular Parameters of Chlortetracycline,
Revista de Chimie,
Volume 71, Issue 2,
2020,
Pages 121-127,
ISSN 2668-8212,
https://doi.org/10.37358/RC.20.2.7904.
(https://revistadechimie.ro/Articles.asp?ID=7904)
Keywords: chlortetracycline; QSAR; solvatochromism; excited dipole moment

RIS
TY - JOUR
T1 - New QSAR and Solvatochromic Estimation of Molecular Parameters of Chlortetracycline
A1 - Gritco-Todirascu, Antonina
A2 - Creanga, Dorina Emilia
A3 - Ivan, Liliana Mihaela
A4 - Dorohoi, Dana Ortansa
A5 - Ciubara, Anamaria
JF - Revista de Chimie
JO - Rev. Chim.
PB - Revista de Chimie SRL
SN - 2668-8212
Y1 - 2020
VL - 71
IS - 2
SP - 121
EP - 127
UR - https://doi.org/10.37358/RC.20.2.7904
KW - chlortetracycline
KW - QSAR
KW - solvatochromism
KW - excited dipole moment
ER -

BibTex
@article{RevCh2020P121,
author = {Gritco-Todirascu Antonina and Creanga Dorina Emilia and Ivan Liliana Mihaela and Dorohoi Dana Ortansa and Ciubara Anamaria},
title = {New QSAR and Solvatochromic Estimation of Molecular Parameters of Chlortetracycline},
journal = {Revista de Chimie},
volume = {71},
number = {2},
pages = {121-127},
year = {2020},
issn = {2668-8212},
doi = {https://doi.org/10.37358/RC.20.2.7904},
url = {https://revistadechimie.ro/Articles.asp?ID=7904}
}

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