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Wyszukujesz frazę "Substituent effects" wg kryterium: Temat


Wyświetlanie 1-15 z 15
Tytuł:
Structure parameter correlation of some quinoxaline derivatives through IR and 13C NMR spectra
Autorzy:
Thirunarayanan, G.
Muthuvel, I.
Sathiyendiran, V.
Powiązania:
https://bibliotekanauki.pl/articles/412003.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
Quinoxalines
IR spectra
NMR spectra
Hammett Correlation
substituent effects
Opis:
A series of 6-substituted quanoxaline derivatives have been synthesized and examined their purities by literature method. The infrared and 13>/Sup>C NMR spectral data of these quinoxalines were correlated with Hammett substituent constants, F and R parameters using single and multi-regression analysis. From the results of statistical analysis, the effect of substituents on the spectral frequencies has been studied.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 19, 2; 198-207
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
NMR Spectral correlations in some Tröger’s bases
Autorzy:
Thirunarayanan, G
Suresh, M.
Powiązania:
https://bibliotekanauki.pl/articles/412650.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
tröger’s bases
NMR spectra
hammett correlations
substituent effects
Opis:
Some Tröger’s bases have been synthesised from substituted anilines and paraformaldehyde in presence of Lewis acid catalyst such as anhydrous AlCl3, through electrophilic substitution reaction. The purities of these Tröger’s bases have been checked by their physical constants and spectroscopic data published earlier in the literature. The NMR chemical shift (δ, ppm) of methylene protons and carbon were assigned. The assigned methylene protons and carbon chemical shifts (δ, ppm) of synthesised Tröger’s bases have been correlated with Hammett substituent constants, F and R parameters using single and multi-regression analyses. From the results of statistical analyses, the effects of substituent on methylene protons and carbon were discussed.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 4; 1-11
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Modelling drug-receptor interactions in an average binding site for NK2
Autorzy:
Alagona, G.
Ghio, C.
Monti, S.
Powiązania:
https://bibliotekanauki.pl/articles/1953954.pdf
Data publikacji:
1998
Wydawca:
Politechnika Gdańska
Tematy:
receptor modelling
docking
non covalent interactions
molecular mechanics
molecular dynamics
substituent effects
Opis:
A tentative procedure applied to the search for a new antagonist of neurokinin A (NKA) is presented. In parallel a tentative 3-D model of the NK2 receptor was created, using bacteriorhodopsin (BRD) as a template. The residue substitutions were performed in BRD to obtain the sequence for NK2R_H and the seven a-helical segments were optimized forcing the a-helical backbone to match the corresponding aligned parts of BRD, while the arrangements of the side chains were model built based on available site-directed mutagenesis studies. Constrained MM and molecular dynamics simulations were carried out H-bonding a low energy conformer of the known drugs to residues in the receptor site, allowing both the receptor site and drugs to relax. The Connolly surface for each ligand allowed to determine an "average" binding site in which all the low energy conformers of known and prospective drugs were docked and classified according to a statistical index. The whole procedure was repeated exploiting the lately published structure of an actual G protein coupled receptor as a better template, thus producing a cavity in the binding site to directly dock the drugs. Corollary validations of the force fields used are also mentioned. In addition intra- and intermolecular interactions suitable to produce more active drugs were evaluated.
Źródło:
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 1998, 2, 4; 563-581
1428-6394
Pojawia się w:
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
IR and 1H NMR spectral studies of some 2-Amino-4-isopropyl-6-methoxy-N-phenylpyrimidine-5-carboxamides: Assessment of substituent effects
Autorzy:
Arulkumaran, R.
Sundararajan, R.
Manikandan, V.
Sathiyendiran, V.
Pazhamalai, S.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/412343.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
2-Amino-4-isopropyl-6-methoxy-N-phenylpyrimidine-5-carboxamides
IR spectra
NMR spectra
substituent effects
Opis:
A series of 2-Amino-4-isopropyl-6-methoxy-N-phenylpyrimidine-5-carboxamide compounds have been synthesized from various substituted dithioacetal and guanidine. The purities of these compounds were checked by their physical constants, UV, IR, NMR and MASS spectral data. The IR and 1HNMR spectral data of these compounds have been correlated with Hammett sigma constants, F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effects of substituents on the spectral group frequencies have been discussed.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 19, 1; 15-25
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Spectral correlations and antimicrobial activities of some 1-pyrenyl chalcones
Autorzy:
Arulkumaran, R.
Vijayakumar, S.
Sundararajan, R.
Sakthinathan, S.P.
Kamalakkannan, D.
Suresh, R.
Ranganathan, K.
Rajakumar, P.R.
Powiązania:
https://bibliotekanauki.pl/articles/411776.pdf
Data publikacji:
2013
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
substituted styryl 1-pyrenyl ketones
UV spectra
IR spectra
NMR spectra
substituent effects
antimicrobial activities
Opis:
A series of 1-pyrenyl chalcones have been synthesized by Crossed-Aldol condensation of 1-acetylpyrene and substituted benzaldehydes. The purities of these chalcones have been checked by their physical constants, UV, IR, NMR and MASS spectral data. The spectral data of these chalcones have been correlated with Hammett sigma constants, F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effect of substituents on the spectral group frequencies have been discussed. The anti-microbial activities of these chalcones have been evaluated using Bauer-Kirby method.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2013, 5; 21-38
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Spectral correlation analysis and antimicrobial activities of some 2,4-dimethoxy phenyl chalcones
Autorzy:
Joseph, S. J.
Arulkumaran, R.
Kamalakkannan, D.
Sakthinathan, S. P.
Sundararajan, R.
Suresh, R.
Vijayakumar, S.
Ranganathan, K.
Kalyanasundaram, N.
Vanangamudi, G.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/412661.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
substituted styryl 2
4-dimethoxy phenyl ketones
UV spectra
IR spectra
NMR spectra
substituent effects
antimicrobial activities
Opis:
A series of 2,4-dimethoxy phenyl chalcones have been synthesized by Crossed-Aldol condensation of 2,4-dimethoxy phenyl and various substituted benzaldehydes. The purities of these chalcones have been checked by their physical constants, UV, IR, NMR and MASS spectral data. The spectral data of these chalcones have been correlated with Hammett sigma constants, F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effects of substituents on the spectral group frequencies have been discussed. The anti-microbial activities of these chalcones have been evaluated using Bauer-Kirby method.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 4; 48-65
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Spectral correlation analysis of Hammett substituent constants and biological activities of some (E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-ones
Autorzy:
Kalyanasundaram, N.
Sakthinathan, S. P.
Suresh, R.
Kamalakkannan, D.
Joseph, S. J.
Vanangamudi, G.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/412539.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
substituted styryl 4-phenoxyphenylketones
UV-spectra
IR spectra
NMR spectra
Hammett constants
substituent effects
regression analysis and antimicrobial activities
Opis:
A series of aryl chalcones have been synthesized from 4-phenoxyacetophonone with various substituted benzaldehydes. The purity of all chalcones has been checked using their physical constants and spectral data. These spectral data have been correlated with Hammett substituent constants and F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effect of substituents on the above spectral data has been studied. The single parameter correlation with few Hammett constants and F and R parameters gave satisfactory correlation coefficients whereas all multiple correlations gave satisfactory correlation coefficients with Resonance, Field and Swain-Lupton’s parameters. The antimicrobial activities of all chalcones have been studied using Bauer-Kirby method.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 9; 23-47
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Assessment of substituent effects and antimicrobial activities of some 2ʹ,5ʹ-dimethyl phenyl chalcones
Autorzy:
Joseph, S. J.
Kamalakkannan, D.
Arulkumaran, R.
Sakthinathan, S. P.
Suresh, R.
Sundararajan, R.
Vijayakumar, S.
Ranganathan, K.
Vanangamudi, G.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/412597.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
substituted styryl 2
5ʹ-dimethyl phenyl chalcones
UV spectra
IR spectra
NMR spectra
substituent effects
antimicrobial activities
Opis:
Some 2ʹ,5ʹ-dimethyl phenyl chalcones have been synthesized by Crossed-Aldol condensation between 2,5-dimethyl acetophenone and various substituted benzaldehydes using catalytic amount of sodium hydroxide and ethanol. The yields of the chalcones are more than 93 %. The purities of these chalcones have been checked by their physical constants, UV, IR, NMR and MASS spectral data. The spectral data of these chalcones have been correlated with Hammett sigma constants, F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effects of substituents on the spectral group frequencies have been discussed. The anti-microbial activities of these chalcones have been evaluated using Bauer-Kirby method.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 5; 99-123
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis and spectral Hammett correlation analysis of some (E)-3-(5-bromothiophen-2-yl)-1-phenylprop-2-en-1-one compounds
Autorzy:
Christuraj, P.
Rajakumar, P. R.
Geetha, C.
Vanangamudi, G.
Arulkumran, R.
Manikandan, V.
Sundararajan, R.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/1179576.pdf
Data publikacji:
2017
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
(E)-3-(5-bromothiophen-2-yl)-1-phenylprop-2-en-1-ones
FT-IR and NMR spectra
Hammett correlation analysis
Substituent constants
Substituent effects
UV
Opis:
A series of substituted of (E)-3-(5-bromothiophen-2-yl)-1-phenylprop-2-en-1-one compounds by cross-aldol condensation reaction of 5-bromothiophene-2-carbaldehyde with various substituted acetaldehyde in the presence sodium hydroxide (base). The synthesized substituted (E)-3-(5-bromothiophen-2-yl)-1-phenylprop-2-en-1-one compounds was characterized by physical constants, UV, FT-IR, 1H & 13C-NMR spectral data. The group frequencies of infrared ʋ(cm-1) of CO s-cis and s-trans, CH in-plane and out of plane, CH=CH out of plane, >C=C< out of plane modes, NMR chemical shifts δ (ppm) of Hα, Hβ, CO, Cα and Cβ of these chalcones were correlated with Hammett substituent constants, F and R parameters using single and multi-regression analyses.
Źródło:
World Scientific News; 2017, 74; 15-35
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis, spectral correlation analysis and evaluation of antimicrobial activities of some (E)-1-(2,4-dimethylthiazol-5-yl)-3-phenylprop-2-en-1-ones
Autorzy:
Sathiyendiran, V.
Balaji, S.
Senbagam, R.
Vijayakumar, R.
Manikandan, V.
Rajarajan, M.
Muthuvel, I.
Markandan, R.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/1031849.pdf
Data publikacji:
2020
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
4-dimethylthiazol enones
Antimicrobial activities
Crossed-Aldol condensation
E-2
IR and NMR spectra
Spectral correlation analysis
Substituent effects
UV
Opis:
In this work, an attempt was made to synthesized (E)-1-(2,4-dimethylthiazol-5-yl)-3-phenylprop-2-en-1-one by cross-aldol condensation reaction of 5′-acetyl-2,4-dimethylthiazole with various substituted Benz aldehyde in the presence base (sodium hydroxide). The synthesized (E)-1-(2,4-dimethylthiazol-5-yl)-3-phenylprop-2-en-1-one derivative was characterized by physical constants, UV, FT-IR, 1H-NMR & 13C-NMR spectral data. All the observed spectral data of substituted (E)-1-(2,4-dimethylthiazol-5-yl)-3-phenylprop-2-en-1-one compounds have been correlated with Hammett substituent constants(σ, σ+, σI & σR) and F and R parameters using single and multi-linear regression analyses and studied for their anti-microbial activities and compared with the standard drugs (Ciprofloxacin). Some compound of the series exhibited promising anti-microbial activity compared to standard drugs (Ciprofloxacin).
Źródło:
World Scientific News; 2020, 141; 66-90
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Study of IR and NMR spectral correlations and biological evaluation of 4-(6-ethyl-2-(substituted phenyl)-6H-pyrido[3,2-b]carbazol-4-yl) aniline derivatives
Autorzy:
Thirunarayanan, Ganesamoorthy
Powiązania:
https://bibliotekanauki.pl/articles/1189992.pdf
Data publikacji:
2016
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
IR and NMR spectra
Substituent effects
Hammett equation
Antibacterial activity
Antifungal activity
pyrido[3
2-b]carbazol-4-yl) aniline
Opis:
A series of seven titled compounds have been prepared and their purities were examined by literature method. The characteristic infrared stretching frequencies (, cm-1) and the NMR chemical shifts (, ppm) of these anilines were assigned. These assigned spectral data were correlated with Hammett substituent constants, F and R parameters using single and multi-regression analysis. From the statistical results the effect of substituents on the spectral data have been discussed. The antimicrobial activities of these aniline derivatives have been evaluated by Bauer-Kirby disc-diffusion method.
Źródło:
World Scientific News; 2016, 52; 228-246
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis, effect of substituents and antimicrobial activities of some 4-bromophenyl chalcones
Autorzy:
Vijayakumar, S.
Vanangamudi, G.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/1191238.pdf
Data publikacji:
2016
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
(E)-1-(4-bromophenyl)-3-(substituted phenyl)-2-propen-1-ones
UV spectra
IR spectra
NMR spectra
Substituent effects
Antimicrobial activities
Opis:
Elven (E)-1-(4-bromophenyl)-3-(substituted phenyl)-2-propen-1-ones are formed using sodium hydroxide catalyzed Aldol condensation between 4-bromoacetophenone and substituted benzaldehyde. The production of these chalcone compounds are above 90%. These α, β unsaturated ketones were specified by their physical constants and spectral data (UV, IR, 1H and 13C-NMR). Hammett substituted constants (σ, σ+, σI & σR and F and R parameters have been used for correlating the spectral values of these α, β unsaturated ketones by using single and multi-linear regression analysis. The impacts of substituents on the spectral data have been known on statistical analysis. By using Bauer-Kirby method the anti-microbial activities of these (E)-1-(4-bromophenyl)-3-(substituted phenyl)-2-propen-1-ones compounds are estimated.
Źródło:
World Scientific News; 2016, 54; 132-152
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis and effects of substituent on (E)-styryl-3-methyl-2-thienyl chalcones
Autorzy:
Christuraj, P.
Geetha, C.
Vanangamudi, G.
Arulkumaran, R.
Manikandan, V.
Rajakumar, P. R.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/1161056.pdf
Data publikacji:
2018
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
(E)-3-(3-methylthiophen-2-yl)-1-phenylprop-2-en-1-ones
FT-IR & NMR spectra
Fly-ash:H3PO4 nanocatalyst
Hammett correlation analysis
Substituent effects
UV
solvent-free synthesis
Opis:
Series of eleven substituted of (E)-3-(3-methylthiophen-2-yl)-1-phenylprop-2-en-1-ones compounds by cross-aldol condensation reaction of 3-methylthiophene-2-carbaldehyde with various substituted acetaldehyde in the occurrence of Fly-Ash: H3PO4 catalyst. The effect of catalytic activity of this fly-ash:H3PO4 nanocatalyst was studied with the obtained yield of products under solvent-free conditions. The synthesized substituted (E)-3-(3-methylthiophen-2-yl)-1-phenylprop-2-en-1-one compounds was characterized by physical constants, UV, FT-IR, 1H & 13C-NMR spectral data. The infrared group frequencies of ʋ(cm-1) of COs-cis & s-trans, CHip and CHop, CH=CHop, >C=C
Źródło:
World Scientific News; 2018, 112; 55-73
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Thionylchloride catalyzed aldol condensation: Synthesis, spectral correlation and antibacterial activities of some 3,5-dichloro-2-hydroxyphenyl chalcones
Autorzy:
Arulkumaran, R.
Vijayakumar, S.
Sundararajan, R.
Sakthinathan, S. P.
Kamalakkannan, D.
Suresh, R.
Ranganathan, K.
Vanangamudi, G.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/411825.pdf
Data publikacji:
2012
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
chlorek tionylu
widma IR i NMR
korelacja Hammeta
aktywność antybakteryjna
wpływ podstawników
styrylo 3,5-dichloro-2-hydroksy fenylo ketony
thionyl chloride
styryl 3,5-dichloro-2-hydroxyphenyl ketones
IR and NMR spectra
Hammett correlation
substituent effects
antimicrobial activities
Opis:
A series of substituted styryl 3,5-dichloro-2-hydroxyphenyl ketones [1-(3, 5-dichloro-2-hydroxy)- 3-phenylprop-2-en-1-one] were synthesized using thionyl chloride assisted Crossed Aldol reaction. The yields of chalcones were more than 80%. The synthesized chalcones were characterized by analytical and spectroscopic data. From the spectroscopic data the group frequencies were correlated with Hammett substituent constants, F and R parameters. From the results of statistical analysis the effect of substituents were discussed. The antibacterial activities of these chalcones have been evaluated using Bauer-Kirby method.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2012, 4; 17-38
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Application of Hammett equation on IR and NMR spectral data of (5-bromothiophen-2-yl) (3-(4-methoxyphenyl)bicyclo[2.2.1]hept-5-en-2-yl)methanones
Autorzy:
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/1182868.pdf
Data publikacji:
2016
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
(5-bromothiophen-2-yl)(3-substituted phenyl)bicyclo[2.2.1]hept-5-en-2-yl)methanones
ir and nmr spectra
hammett equation
hammett substituent constants
regression analysis
electronic effects
Opis:
More than 60% yield of the titled compounds, (5-bromothiophen-2-yl)(3-substituted phenyl) bicyclo[2.2.1]hept-5-en-2-yl)methanones were prepared and examined their purities by literature method. The characteristic infrared spectral frequencies (cm-1) and NMR chemical shifts (ppm) of these ketones were assigned. These spectral data were applied to Hammett equation with Hammett substituent constants for prediction of effects substituent using single and multi-regression analysis. From the results of statistical analysis, the electronic effect of substituents on the spectral data has been studied.
Źródło:
World Scientific News; 2016, 53, 3; 138-156
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
    Wyświetlanie 1-15 z 15

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