Aziridinyl-substituted benzo-1,4-quinones: A preliminary investigation on the theoretical and experimental studies of their structure and spectroscopic properties.

Authors :: Šarlauskas J
Tamulienė J
Čėnas N
Source :: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2017 May 05; Vol. 178, pp. 136-141. Date of Electronic Publication: 2017 Jan 31.
Publication Year :: 2017
Abstract: The detailed structure, chemical and spectroscopic properties of the derivatives of the selected 2,5-bis(1-aziridinyl)-benzo-1,4-quinone conformers were studied by applying quantum chemical and experimental methods. The relationship between the structure and chemical activity of the selected 3 bifunctional bioreductive quinonic anticancer agents - aziridinyl benzoquinones (AzBQ compounds) was obtained. The results obtained showed that the position of aziridine rings influenced by the chemical activity of the investigated compound were more significant than the substitutions of the benzene ring of the AzBQ compounds. The solvents influencing this activity were obtained, too.<br /> (Copyright © 2017. Published by Elsevier B.V.)

Subjects :: Crystallography, X-Ray
Hardness
Molecular Conformation
Optical Phenomena
Quinones chemical synthesis
Spectrophotometry, Ultraviolet
Thermodynamics
X-Ray Diffraction
Aziridines chemistry
Models, Molecular
Quinones chemistry

Language :: English
ISSN :: 1873-3557
Volume :: 178
Database :: MEDLINE
Journal :: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Publication Type :: Academic Journal
Accession number :: 28182983
Full Text :: https://doi.org/10.1016/j.saa.2017.01.058

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