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Wyświetlanie 1-15 z 68
Tytuł:
_1H NMR spectra of trypsin inhibitors from seeds of Cucurbitaceae plants. Resonance signals of methyl groups.
Autorzy:
Siemion, Ignacy
Sobczyk, Katarzyna
Wilusz, Tadeusz
Polanowski, Antoni
Powiązania:
https://bibliotekanauki.pl/articles/1046025.pdf
Data publikacji:
1984
Wydawca:
Polskie Towarzystwo Biochemiczne
Źródło:
Acta Biochimica Polonica; 1984, 31, 2; 207-215
0001-527X
Pojawia się w:
Acta Biochimica Polonica
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
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:
Assessment of substituent effects on β-naphthyl based isoxazoles by IR and NMR spectra
Autorzy:
Thirunarayanan, G.
Sathiyendiran, V.
Arulkumarn, R.
Sundararrajan, R.
Manikandan, R.
Vanangamud, G.
Powiązania:
https://bibliotekanauki.pl/articles/1194022.pdf
Data publikacji:
2015
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
Correlation analysis
IR spectra
NMR spectra
β-naphthyl dihydroisoxazoles
Opis:
A series containing thirteen 3-(2-naphthyl)-5-(substituted phenyl)-4,5-dihydroisoxazole have been synthesized and examined their purities by their data reported earlier. The characteristic infrared νC=N (cm-1) stretches, NMR chemical shifts (δ, ppm) of H4,4׳, H5 protons, C3-5 carbons were assigned and correlated with Hammett substituent constants and Swain-Lupton’s parameters using single and multi- regression analysis. From the results of regression analysis the effect of substituents on the spectral data have been studied.
Źródło:
World Scientific News; 2015, 9; 35-58
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Assigning NMR spectra of irregular RNAs by heuristic algorithms
Autorzy:
Szachniuk, M.
Powiązania:
https://bibliotekanauki.pl/articles/201820.pdf
Data publikacji:
2015
Wydawca:
Polska Akademia Nauk. Czytelnia Czasopism PAN
Tematy:
bioinformatics
NMR
tabu search
beam search
RNA structure
bioinformatyka
wyszukiwarka tabu
wyszukiwarka wiązki
struktura RNA
Opis:
Computer-aided analysis and preprocessing of spectral data is a prerequisite for any study of molecular structures by Nuclear Magnetic Resonance (NMR) spectroscopy. The data processing stage usually involves a considerable dedication of time and expert knowledge to cope with peak picking, resonance signal assignment and calculation of structure parameters. A significant part of the latter step is performed in an automated way. However, in peak picking and resonance assignment a multistage manual assistance is still essential. The work presented here is focused on the theoretical modeling and analyzing the assignment problem by applying heuristic approaches to the NMR spectra recorded for RNA structures containing irregular regions.
Źródło:
Bulletin of the Polish Academy of Sciences. Technical Sciences; 2015, 63, 1; 329-338
0239-7528
Pojawia się w:
Bulletin of the Polish Academy of Sciences. Technical Sciences
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Cu2+/Zeolite catalyzed synthesis and evaluation of antimicrobial activities of some chalcones
Autorzy:
Thirunarayanan, G.
Kumar, N. Dinesh
Powiązania:
https://bibliotekanauki.pl/articles/1179609.pdf
Data publikacji:
2017
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
Antimicrobial activities
Aryl chalcones
Cu2+/Zeolite
IR and NMR spectra
Opis:
Some aryl chalcones have been synthesized by Cu2+/Zeolite catalyzed aldol condensation of aryl methyl ketones and substituted benzaldehydes under microwave irradiation conditions. The yields of the synthesized chalcones are more than 85%. These chalcones were characterized by their physical constants and spectroscopic data. The antimicrobial activities of synthesized chalcones were studied by Bauer-Kirby disc diffusion method.
Źródło:
World Scientific News; 2017, 74; 251-266
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Effect of substituents on 4-(substituted phenyl sulfonamide)benzoic acids by IR and NMR spectra
Autorzy:
Muthuvel, I.
Thirunarayanan, G.
Dineshkumar, S.
Powiązania:
https://bibliotekanauki.pl/articles/1059444.pdf
Data publikacji:
2019
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
4-(substituted phenyl sulfonamide) benzoic acids
Hammett correlations
IR and NMR spectra
Regression analysis
Opis:
About nine 4-(substituted phenyl sulfonamide) benzoic acid derivatives were synthesized by ultrasound irradiation method. The synthesized sulfonamides were characterized by their physical constants and spectroscopic data. The characteristic infrared SOsym, SOasym, NH and CO vibrations (ν, cm-1), the chemical shifts (δ, ppm) of NH and CO of sulfonamides were assigned and correlated with various Hammett substituent constants and Swain-Lupton parameters using single and multi-regression analysis. From the results of the statistical analysis, the effects of substituents on the spectral frequencies were discussed.
Źródło:
World Scientific News; 2019, 128, 2; 216-233
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
FT-IR, 1H and 13C NMR QSAR and molecular docking study on some (E)-2-(2-((aryl)(phenyl)methylene) hydrazinyl)benzo[d]thiazoles
Autorzy:
Muthuvel, I.
Thirunarayanan, G.
Manikandan, S.
Powiązania:
https://bibliotekanauki.pl/articles/1066169.pdf
Data publikacji:
2019
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
(E)-2-(2-((aryl)(phenyl)methylene)hydrazinyl)benzo[d]thiazoles
Docking analysis
Hammett equation
IR spectra
NMR spectra
QSAR study
Schiff’s bases
Opis:
About six (E)-2-(2-((aryl)(phenyl)methylene)hydrazinyl)benzo[d]thiazoles have been synthesized and characterized by literature data. The infra-red stretching frequencies (ν, cm-1) of NH, CN, C=C and the NMR chemical shifts (δ, ppm) of NH, C=N and ipso carbons were assigned. These spectroscopic data were correlated for studying the QSAR employing Hammett equation with various Hammett substituent constants, Swain-Lupton’s F and R parameters using single and multi-regression analysis. From the results of regression analysis, the QSAR will be predicted by means of effects of substituents on the spectroscopic data of the functional group frequencies. The molecular docking character was evaluated by Schrodinger program, probing analogue docking in Topoisomerase enzymes. The crystallographic enzyme ligand complex (PDB entry 3TTZ) was obtained from the RCSB Protein Data Bank.
Źródło:
World Scientific News; 2019, 131; 54-74
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
FT-IR and NMR spectral LFER model analysis on some 3-(1-naphthyl)-1-substituted phenyl chalcones
Autorzy:
Sekar, K. G.
Janaki, P.
Muthuvel, I.
Sathiyendiran, V.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/1031827.pdf
Data publikacji:
2020
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
1-Naphthyl styryl ketone
Aldol condensation
IR and NMR Spectra
LFER Model
Opis:
In this investigation, the authors predicted the effects of substituents on the functional groups of the titled chalcones using Linear Free Energy Relationship through Hammett equation with its constants and Swain-Lupton parameters. The LFER model statistical analysis was carried out using single and multi-linear regression analysis in MS Office 365 XL package. From the LFER analysis outcome, the influence of substituents on the spectroscopic functionality were discussed with their electronic effects such as, polar, inductive, resonance, field and conjugation. The titled compounds were prepared by solvent-free Aldol-Condensation method. The prepared compounds were characterised by their physical constants, micro analysis and spectroscopic data (FT-IR, NMR and Mass).
Źródło:
World Scientific News; 2020, 147; 88-103
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Greener synthesis and Hammett spectral Linearity’s of some 1-{[3-(furan-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]methyl}-4-methyl piperazines
Autorzy:
Thirunarayanan, G.
Rajarajan, M.
Sekar, K. G.
Sathiyendiran, V.
Powiązania:
https://bibliotekanauki.pl/articles/1179600.pdf
Data publikacji:
2017
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
Hammett equation and Regression analyses
Hammett substituent constants
IR and NMR spectra
Piperazines
Opis:
We have synthesized eleven numbers of 1-{[3-(furan-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]methyl}-4-methyl piperazines by hydroxyapatite catalyzed microwave assisted condensation method. The synthesized 1-{[3-(furan-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]methyl}-4-methyl piperazine compounds were characterized by means of their IR and NMR spectral data. The assigned infrared spectral νC=N, νC-O-C stretches(cm-1), NMR chemical shifts of isoxazoline (d) proton, isoxazoline (m) proton, N-CH3, C=N, C-NH2 and C-NH3 (δ, ppm) of these 1-{[3-(furan-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]methyl}-4-methyl piperazines were assigned and correlated with Hammett substituent constants, F and R parameters using single and multi linear regression analysis. From the results of statistical analyses, the effects of substituents on the above group frequencies were discussed.
Źródło:
World Scientific News; 2017, 74; 164-180
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Hammett spectral correlations in benzofuranyl flavonols
Autorzy:
Thirunarayanan, G.
Sekar, K. G.
Powiązania:
https://bibliotekanauki.pl/articles/412326.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
Benzofuranyl flavonols
Hammett equation
IR spectra
NMR spectra
Regression analysis
Opis:
A series containing eleven benzofuranyl flavonols have been prepared by cyclization of 3-hydroxybenzofuranyl chalcones with 30 % hydrogen peroxide in the presence of sodium bicarbonate. The synthesized flavonols were characterized by their physical constants, analytical and spectroscopic data. The infrared spectral νOH, CO stretches(cm-1), NMR chemical shifts of OH, CO(δ, ppm) of these flavonols were assigned and correlated with Hammett substituent constants, F and R parameters using single and multi linear regression analysis. From the results of statistical analyses, the effects of substituents on the above group frequencies were discussed.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 6; 39-47
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Hammett spectral correlations in some aryl 1,3-oxazine-4-thione derivatives
Autorzy:
Thirunarayanan, G.
Sekar, K. G.
Powiązania:
https://bibliotekanauki.pl/articles/412394.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
1,3-oxazine-4-thiones
IR spectra
13C NMR spectra
Hammett correlation
Opis:
A series of some aryl 1,3-oxazine-4-thione derivatives have been synthesized by 1-methyl imidazole catalyzed three component one pot synthetic method in room temperature. The purities of these thiones were studied by their physical constants and spectroscopic data. The infrared and 13C NMR spectral data of CN and CS were correlated with Hammett substituent constants, F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effect of substituent on the spectral data was studied.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 17, 2; 193-200
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Hammett spectral LFER of some antioxidant substituted benzylidene hydrazines
Autorzy:
Thirunarayanan, G.
Manikandan, V.
Arulkumaran, R.
Rajarajan, M.
Sathiyendiran, V.
Powiązania:
https://bibliotekanauki.pl/articles/1182556.pdf
Data publikacji:
2017
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
(E)-(2
5-dinitrophenyl)-2-(substituted benzylidene)hydrazines
Hammett correlations
IR spectra
NMR spectra
antioxidant activity
hydroxy apatite
Opis:
About nine (E)-(2,5-dinitrophenyl)-2-(substituted benzylidene)hydrazines have been synthesized by hydroxy apatite catalyzed condensation of 2,4-dinitrophenyl hydrazine and substituted benzaldehydes under microwave irradiation conditions. The obtained yields of these hydrazines are more than 85%. The purities of synthesized hydrazines are examined by the analytical and spectroscopic data reported earlier. The infrared spectral C=N, NH frequencies (v, cm-1) and the NMR spectral chemical shifts of CH, NH protons and carbons are assigned and are correlated with Hammett substituent constants, F and R parameter using single and multi-regression analysis. From the results of statistical analysis the effects of substituent on the group frequencies have been discussed. The antioxidant activities of these synthesized hydrazines were measured using DPPH radical scavenging method. The hydroxy- and methoxy- substituted hydrazines shows significant antioxidant activity.
Źródło:
World Scientific News; 2017, 69; 201-219
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Infrared and ¹³C NMR spectral studies of some aryl hydrazides: Assessment of substituent effects
Autorzy:
Thirunarayanan, G.
Sekar, G. K.
Lakshmi Narayanan, R.
Powiązania:
https://bibliotekanauki.pl/articles/412577.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
substituted aryl benzohydrazide
IR spectra
NMR spectra
hammett equation
substituent constants
correlation analysis
Opis:
A series of some aryl hydrazides have been synthesized. These hydrazides purities were analyzed by physical constants and spectral data. The assigned spectral group frequencies were correlated with Hammett substituent constants and Swain-Lupton parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effect of substituents on the spectral group frequencies has been discussed.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 13, 1; 88-94
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Infrared and NMR spectral Hammett correlations in 4-(2-naphthyl)-5,6-dihydro-6-(substituted phenyl)-4H-1,3-oxazine-2-amines
Autorzy:
Thirunarayanan, G.
Pazhamalai, S.
Sekar, K. G.
Powiązania:
https://bibliotekanauki.pl/articles/411654.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
Oxazine-2-amines
IR and NMR spectra
Hammett equation
Correlation analysis
Opis:
A series containing ten titled compounds have been synthesised and recorded the IR and NMR spectra. From the spectra the infrared νNH, C=N, C-O-C stretches, NMR chemical shifts of (δ, ppm) NH and C=N were assigned and correlated with Hammett substituent constants, F and R parameters using single regression analysis. From the results, the effects of substituent on the above spectral frequencies were discussed.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 8; 38-46
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Wyświetlanie 1-15 z 68

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