About: Spectroscopic, structural and theoretical studies of novel, potentially cytotoxic 4-acridonecarboxamide imines

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Ten novel, potentially intercalating 4-acridonecarboxamide azomethines and ketimines have been prepared by the condensation reaction of 9-oxo-9,10-dihydroacridine-4-carboxylic acid hydrazide with Various aldehydes and ketones. The structures of the compounds were characterized spectroscopically by NMR (H-1, C-13, N-15 nuclei and 2D experiments), UV-vis, IR and fluorescence methods and by quantum chemical calculations using DFT at the B3LYP/6-311+G(d,p) level of theory and semiempirical ZINDO and AMI methods. NMR chemical shift variations for C-4' were assessed due to changes in the polarizability of the imine C-4'=N-3' bond rather than direct inductive effects arising from the C-4' substituents. In concert with this was the reversed order observed for the N-3' chemical shifts with DFT-calculated atomic charges confirming the bond polarization. Both intra- and intermolecular hydrogen bonds between the acridone NH hydrogen and the amidic carbonyl oxygen were found to exist by FT Ten novel, potentially intercalating 4-acridonecarboxamide azomethines and ketimines have been prepared by the condensation reaction of 9-oxo-9,10-dihydroacridine-4-carboxylic acid hydrazide with Various aldehydes and ketones. The structures of the compounds were characterized spectroscopically by NMR (H-1, C-13, N-15 nuclei and 2D experiments), UV-vis, IR and fluorescence methods and by quantum chemical calculations using DFT at the B3LYP/6-311+G(d,p) level of theory and semiempirical ZINDO and AMI methods. NMR chemical shift variations for C-4' were assessed due to changes in the polarizability of the imine C-4'=N-3' bond rather than direct inductive effects arising from the C-4' substituents. In concert with this was the reversed order observed for the N-3' chemical shifts with DFT-calculated atomic charges confirming the bond polarization. Both intra- and intermolecular hydrogen bonds between the acridone NH hydrogen and the amidic carbonyl oxygen were found to exist by FT (en)
Title	Spectroscopic, structural and theoretical studies of novel, potentially cytotoxic 4-acridonecarboxamide imines Spectroscopic, structural and theoretical studies of novel, potentially cytotoxic 4-acridonecarboxamide imines (en)
skos:prefLabel	Spectroscopic, structural and theoretical studies of novel, potentially cytotoxic 4-acridonecarboxamide imines Spectroscopic, structural and theoretical studies of novel, potentially cytotoxic 4-acridonecarboxamide imines (en)
skos:notation	RIV/60461373:22310/09:00021770!RIV11-MSM-22310___
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(MSM6046137301)
http://linked.open...iv/cisloPeriodika	2
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Böhm, Stanislav
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Vysoká škola chemicko-technologická v Praze / Fakulta chemické technologie
http://linked.open...dnocenehoVysledku	342907
http://linked.open...ai/riv/idVysledku	RIV/60461373:22310/09:00021770
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Azomethines; Ketimines; Acridonecarboxyhydrazides; NMR spectroscopy; Quantum chemical calculations (en)
http://linked.open.../riv/klicoveSlovo	NMR spectroscopy Quantum chemical calculations Acridonecarboxyhydrazides Azomethines Ketimines
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[A15B05F9E783]
http://linked.open...i/riv/nazevZdroje	Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
http://linked.open...in/vavai/riv/obor	CC
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	11 (xsd:int)
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	73
http://linked.open...iv/tvurceVysledku	Böhm, Stanislav Imrich, Jan Danihel, Ivan Klika, Karel D. Kristián, Pavol Sabolová, Danica Busová, Tatiana Fröhlichová, Zdenka Horvát, Branislav Hritzová, Ol'ga Kožurková, Maria
http://linked.open...ain/vavai/riv/wos	000266429700004
http://linked.open...n/vavai/riv/zamer	Catalytic processes in chemistry and chemical technology
issn	1386-1425
number of pages	11 (xsd:int)
http://localhost/t...ganizacniJednotka	22310

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