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Wyszukujesz frazę "hammett equation" wg kryterium: Temat


Wyświetlanie 1-9 z 9
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:
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:
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:
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 1-9 z 9

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