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    Wyświetlanie 1-12 z 12
    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:
    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
    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:
    Synthesis, spectral studies and antimicrobial activities of some substituted (E)-1-benzylidene-2-(4-bromophenyl)hydrazines
    Autorzy:
    Rajarajan, M.
    Senbagam, R.
    Vijayakumar, R.
    Manikandan, V.
    Balaji, S.
    Vanangamudi, G.
    Thirunarayanan, G.
    Powiązania:
    https://bibliotekanauki.pl/articles/1194024.pdf
    Data publikacji:
    2015
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    Antimicrobial study
    Hammett equation
    Hydrazone
    IR spectra
    NMR spectra
    Synthesis
    UV
    Opis:
    A series of nine number of (E)-1-benzylidene-2-(4-bromophenyl)hydrazine compounds have been synthesized by the condensation reaction of 4-bromo phenylhydrazine with varies m- and p- substituted benzaldehydes using acetic acid catalyst were refluxed for 4h with 20 mL of absolute ethanol. The yield of synthesized (E)-1-benzylidene-2-(4-bromophenyl)hydrazine compounds are more than 80%. The synthesized (E)-1-benzylidene-2-(4-bromophenyl)hydrazines have been characterized by UV, IR, 1H and 13C spectral data. These UV, IR and NMR spectral data have been correlated with varies Hammett substituted constant and Swain-Lupton F and R parameters using single and multi- regression analysis. From the results of statistical analysis, the effects of substituent have been studied. The antimicrobial activity of all the synthesized substituted (E)-1-benzylidene-2-(4-bromophenyl)hydrazines have been evaluated using Bayer-Kirby method.
    Źródło:
    World Scientific News; 2015, 9; 144-160
    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:
    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:
    Spectral correlations in some substituted styryl (E)-4-((2-oxopropyl) diazenyl) benzoic acids
    Autorzy:
    Sathiyendiran, V.
    Sekar, K. G.
    Thirunarayanan, G.
    Arulkumaran, R.
    Sundararajan, R.
    Kamalakkannan, D.
    Suresh, R.
    Manikanadan, V.
    Vijayakumar, R.
    Vanangamudi, G.
    Powiązania:
    https://bibliotekanauki.pl/articles/412199.pdf
    Data publikacji:
    2014
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    Oxo-propyl diazenyl benzoic acid chalcones
    IR spectra
    NMR spectra
    Hammett equation
    Regression analysis
    Opis:
    A series of titled compounds were prepared and analyzed their purities by literature method. The infrared and NMR spectral group frequencies of the compounds were assigned and correlated with Hammett substituent constants, F and R constants using single and multi linear regression analysis. From the results of statistical analysis, the effect of substituents on the above spectral frequencies was discussed.
    Źródło:
    International Letters of Chemistry, Physics and Astronomy; 2014, 11, 1; 33-43
    2299-3843
    Pojawia się w:
    International Letters of Chemistry, Physics and Astronomy
    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:
    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:
    QSAR study of infrared and nuclear magnetic resonance spectra of 1-(3-chloro-4-nitrophenyl)-2-(substituted benzylidene) hydrazines
    Autorzy:
    Ananthi, V.
    Rajalakshmi, K.
    Thiruarayanan, G.
    Powiązania:
    https://bibliotekanauki.pl/articles/1178520.pdf
    Data publikacji:
    2017
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    1-(3-chloro-4-nitrophenyl)-2-(substituted benzylidene) hydrazines
    FeCl3/Bentonite
    Hammett equation
    IR and NMR spectra
    QSAR study
    Solvent-free synthesis
    Opis:
    Ten 1-(3-chloro-4-nitrophenyl)-2-(substituted benzylidene) hydrazines have been synthesized by FeCl3/Bentonite catalyzed solvent-free condensation of substituted phenyl hydrazine and aldehydes under microwave irradiation. The synthesized hydrazides are characterized by the physical constants, micro analysis and spectroscopic data. The assigned characteristic spectroscopic data of these 1-(3-chloro-4-nitrophenyl)-2-(substituted benzylidene) hydrazines were correlated with Hammett substituent constants, F and R parameters using Hammett equation through single and multi-regression analysis. With the results of statistical analysis results, the quantitative structure activity relationships were studied and finding the effect of substituents on the spectral data.
    Źródło:
    World Scientific News; 2017, 70, 2; 122-139
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Spectral Quantitative Structure activity relationships in 3-(substituted phenyl) bicyclo[2.2.1]hept-5-en-2-yl-(pyrene-1-yl) methanone derivatives
    Autorzy:
    Thirunarayanan, Ganesamoorthy
    Powiązania:
    https://bibliotekanauki.pl/articles/1191973.pdf
    Data publikacji:
    2016
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    2
    3-Diarylbicyclo[2.2.1]-hept-5-ene-2-yl methanones; Greener synthesis
    Correlation analysis
    Hammett equation
    IR and NMR spectra
    QSAR study
    Opis:
    About nine titled compounds were synthesized by greener method and the purities of these methanones have been examined using their analytical and spectral data reported in literature. The infrared and NMR spectral data of these methanones 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 in terms of spectral quantitative structure activity on the spectral frequencies were studied.
    Źródło:
    World Scientific News; 2016, 50; 74-94
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    The lightfastness and structure of semi-permanent hair dyes, derivatives of o-nitro-N-β-hydroxyethylaniline
    Odporność na działanie światła i budowa barwników typu “semi-permanent”, pochodnych o-nitro-N-β-hydroksyetyloaniliny stosowanych do barwienia włosów
    Autorzy:
    Szuster, Lucjan
    Wojciechowski, Krzysztof
    Rutowicz, Joanna
    Powiązania:
    https://bibliotekanauki.pl/articles/27324233.pdf
    Data publikacji:
    2023
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Skórzanego
    Tematy:
    semi-permanent hair dyes
    photochemical degradation
    Hammett equation
    molecular geometry
    AM1 quantum-chemical method
    degradacja fotochemiczna
    równanie Hammetta
    geometria cząsteczki
    metoda kwantowo-chemiczna AM1
    półtrwałe farby do włosów
    Opis:
    The aim of this study was to examine the substituent effects on lightfastness and spectral properties of o-nitro-N-β-hydroxyethylaniline derivatives, used in semi-permanent hair dyes of HC (Hair Color-Dyes ) type. It has been found that the fading rate of the color of hair dyed depends on the nature of the ED and EA substituents in the o-nitro-N-β-hydroxyethylaniline. The o-nitro-N-β-hydroxyethyl aniline derivatives undergo discoloration according to kinetics of the first order reaction. A negative value of the slope coefficient indicates the oxidative mechanism of the reaction. From the relationship lmax=f(σ) σp─Hammett’s constant were calculated. Using the semi-empirical AM1 quantum chemical method, we calculated the structures of hair dyes The dye structures were optimized using MM +, DM, and AM1.
    Celem pracy było zbadanie wpływu podstawników na działanie światła i właściwości spektralne pochodnych o-nitro-N-β-hydroksyetyloaniliny, stosowanych w półtrwałych farbach (semi-permanent) do barwienia włosów. Stwierdzono, że szybkość zaniku barwy włosów zależy od charakteru podstawników ED i EA w o-nitro-N-β-hydroksyetyloanilinie. Pochodne o-nitro-N-β-hydroksyetyloaniliny ulegają odbarwieniu zgodnie z kinetyką reakcji 1-go rzędu. Ujemna wartość współczynnika nachylenia wskazuje na mechanizm utleniający reakcji. Z zależności lmax=f(σ) obliczono stałe σp─Hammetta. Stosując półempiryczną metodę kwantowo-chemiczną AM1, obliczyliśmy budowę barwników pochodnych N-β-hydroksyetyloamino-nitrobenzenu. Struktury barwników optymalizowano przy użyciu MM +, DM oraz AM1. półtrwałe farby do włosów.
    Źródło:
    Technologia i Jakość Wyrobów; 2023, 68; 19--37
    2299-7989
    Pojawia się w:
    Technologia i Jakość Wyrobów
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-12 z 12

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