Experimental and density functional theory (MEP, FMO, NLO, Fukui functions) and antibacterial activity studies on 2-amino-4- (4-nitrophenyl) -5,6-dihydrobenzo [h] quinoline-3-carbonitrile

doi:10.1016/J.MOLSTRUC.2018.10.001

Paper

Experimental and density functional theory (MEP, FMO, NLO, Fukui functions) and antibacterial activity studies on 2-amino-4- (4-nitrophenyl) -5,6-dihydrobenzo [h] quinoline-3-carbonitrile

Published Feb 1, 2019 · Serap Uzun, Zeynep Esen, E. Koç

Journal of Molecular Structure

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Abstract

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Study Snapshot

The synthesized compound, 2-amino-4- (4-nitrophenyl) 5,6-dihydrobenzo [h] quinoline-3-carbonitrile, shows antibacterial activity against various human pathogenic microorganisms.

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

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Paper

Experimental and density functional theory (MEP, FMO, NLO, Fukui functions) and antibacterial activity studies on 2-amino-4- (4-nitrophenyl) -5,6-dihydrobenzo [h] quinoline-3-carbonitrile

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References

Synthesis, X-ray diffraction method, spectroscopic characterization (FT-IR, 1H and 13C NMR), antimicrobial activity, Hirshfeld surface analysis and DFT computations of novel sulfonamide derivatives

Novel sulfonamide derivatives with antimicrobial activity were synthesized and characterized using various spectroscopic techniques, including X-ray diffraction, FT-IR, and DFT computations.

DFT, spectroscopic studies, NBO, NLO and Fukui functional analysis of 1-(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethylidene) thiosemicarbazide

The novel triazole derivative 1-(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethylidene) thiosemicarbazide shows stability due to delocalization of electron charge density and hyper

Puckering behavior in six new phosphoric triamides containing aliphatic six- and seven-membered ring groups and a database survey of analogous ring-containing structures

New phosphoric triamide structures show that six-membered rings only show near-chair conformation, while seven-membered rings show various conformations, including near-chair, twist chair, and twist sofa.

A combined experimental and theoretical approach for structural, spectroscopic, NLO, NBO, thermal and photophysical studies of new fluorescent 5-amino-1-(7-chloroquinolin-4-yl)-1H-1,2,3-triazole-4-carbonitrile using density functional theory

The new fluorescent compound, 5-amino-1-(7-chloroquinolin-4-yl)-1H-1,2,3-triazole-4-carbonitrile, shows potential as a novel non-linear optical material due to its high first order hyperpolarizability.

X-ray structural, spectroscopic and computational approach (NBO, MEP, NLO, NPA, fukui function analyses) of (E)-2-((4-bromophenylimino)methyl)-3-methoxyphenol

The isolated compound (E)-2-((4-bromophenylimino)methyl)-3-methoxyphenol) is in enol form and shows chemical activity, electronic transmission, and property effects on different solvents.

Citations