Výsledky vyhledávání - "Abha Bishnoi"

Akademický článek

Synthesis, spectroscopic investigation, molecular docking and DFT studies of novel (2Z,4Z)-2,4-bis(4-chlorobenzylidene)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (BCOPCA)

Autor: Poornima Devi, Shaheen Fatma, Shraddha Shukla, Roop Kumar, Vineeta Singh, Abha Bishnoi

Publikováno v: Heliyon, Vol 4, Iss 12, Pp e01009- (2018)

The synthesized compound (2Z,4Z)-2,4-bis(4-chlorobenzylidene)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (BCOPCA) was characterised by Ultraviolet, FT-Infra Red, 1H, 13C Nuclear Magnetic Resonance and mass spectroscopy. The compound was further subj

Externí odkaz: https://doaj.org/article/b0ccd9c966eb46249f50fbcb3e805f86

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A Combined Experimental and Theoretical DFT (B3LYP and CAMB3LYP) Study on Spectral Features (FT-IR, NMR, and UV-Visible), First-order Hyperpolarizability, NBO and HOMO-LUMO Analysis of 4-(dimethylamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one

Autor: Abha Bishnoi, Shaheen Fatma, Sonam Rai, Poornima Devi

Publikováno v: Letters in Organic Chemistry. 20:312-325

Abstract: The pyrazolone subordinate, aminopyrine, has been broken down tentatively and hypothetically for its vibrational frequencies. The chemical shift values and symphonious vibrational frequencies as obtained at B3LYP/CAM-B3LYP/6-31G after emplo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3edf6ac8e8393764bfaf77070e005e68
https://doi.org/10.2174/1570178619666220920143033

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Computational and Experimental Investigations of 7-(4-nitrophenyl)benzo [6,7]chromeno[3,2-e]pyrido[1,2-a]pyrimidin-6(7h)-one

Autor: Abha Bishnoi, Sonam Rai, Poornima Devi, Nishat Afza

Publikováno v: Letters in Organic Chemistry. 19:784-794

Acstract: In-silico studies are used for the prediction of the properties of several novel materials using the computer simulation technique. The present study describes the complete description of the molecular vibrations and electronic features of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::942e72cf788b295b92e615ab461acdc8
https://doi.org/10.2174/1570178619666220113112355

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A Compact Synthesis and Biological Evaluation of Biginilli Products of 1,3-Bis(3-Chlorophenyl)-2-Thioxodihydropyrimidine-4,6(1H,5H)-Dione

Autor: Shraddha Shukla, Poornima Devi, Vineeta Singh, Sonam Rai, Abha Bishnoi

Publikováno v: Polycyclic Aromatic Compounds. 43:131-140

A new series of thiobarbituric acids was designed and the compounds were synthesized by a simple and highly productive Biginelli method. The characterization of the synthesized compounds was done using various spectroscopic methods. All the newly syn

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f362283298dbb22646ed99485812efc
https://doi.org/10.1080/10406638.2021.2009524

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A convergent multicomponent synthesis, spectral analysis, molecular modelling and docking studies of novel 2H-pyrido[1,2-a]pyrimidine-2,4(3H)-dione derivatives as potential anti-cervical cancer agents

Autor: Nishat Afza, Prince Trivedi, Abha Bishnoi, Shama Parveen, Saurabh Kumar, Monisha Banerjee

Publikováno v: Journal of Molecular Structure. 1279:134982

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4091e199aeb40347e0c1fce13fe496b2
https://doi.org/10.1016/j.molstruc.2023.134982

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A Multicomponent Synthesis of 4H-Pyrido[1,2-a]pyrimidine-2-hydroxy-4-one Derivatives and Assessment of Their Antimicrobial Activity

Autor: Poornima Devi, Vineeta Singh, Abha Bishnoi

Publikováno v: Russian Journal of Organic Chemistry. 57:265-271

A highly efficient method for the multicomponent synthesis of substituted 4H-pyrido[1,2-a]pyrimidine-2-hydroxy-4-one derivatives, starting from 4H-pyrido[1,2-a]primidine-2-hydroxy-4-one, β-naphthol, and substituted aromatic aldehydes, in moderate to

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::aed15c9ef0cb72a56c11011c4a7a1580
https://doi.org/10.1134/s1070428021020184

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An efficient multicomponent synthesis, characterization, SAR, In-silico ADME prediction and molecular docking studies of 2-Amino-7-(substituted-phenyl)-3-cyano-4-phenyl-4,5,6,7-tetrahydropyrano[2,3-b] pyrrole-5-carboxylic acid derivatives and their in-vitro antimicrobial activity

Autor: Nishat Afza, Shaheen Fatma, Faraz Ghous, Soni Shukla, Sonam Rai, Krishna Srivastava, Abha Bishnoi

Publikováno v: Journal of Molecular Structure. 1276:134721

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d7382a49b73b933aae706f37b5f6c28e
https://doi.org/10.1016/j.molstruc.2022.134721

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Synthesis, crystal structure elucidation and interactions in 1,2,4,5-tetraazaspiro[5.5]undecane-3-thione:Hirshfeld surface analysis, 2d fingerprint plots and 3D energy framework calculations

Autor: Faraz Ghous, Soni Shukla, Sonam Rai, Nishat Afza, Ramesh Singh, Abha Bishnoi

Publikováno v: Chemical Data Collections. 41:100933

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b971f75b156d0aecbd4004ebdae58689
https://doi.org/10.1016/j.cdc.2022.100933

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Design, Synthesis, and Quantum Chemical Calculations of 2,6-Diphenylspiro[cyclohexane-1,3’-pyrido[1,2-a]pyrimidine]-2’,4,4’-trione through DFT approach

Autor: Poornima Devi, Anil Kumar Verma, Roop Kumar, Abha Bishnoi

Publikováno v: Letters in Organic Chemistry. 16:983-995

Structural elucidation of synthesized 2,6-diphenylspiro[cyclohexane-1,3’-pyrido[1,2- a]pyrimidine]-2’,4,4’-trione has been done by UV, FT-IR, 1H, 13C NMR and mass spectroscopy. The molecule was further subjected to density functional theory (DF

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8a91b1535e3d760296174170882b6524
https://doi.org/10.2174/1570178616666190110110123

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Synthesis, Characterization, and in vitro Antibacterial Evaluation of Barbituric Acid Derivatives

Autor: Shraddha Shukla, Shaheen Fatma, Poornima Devi, Krishna Srivastava, Abha Bishnoi, Ankita Srivastava, Sunil Kumar

Publikováno v: Russian Journal of Organic Chemistry. 55:860-865

A series of 5,5′-(arylmethylene)bis[1,3-dimethyl-6-(methylamino)pyrimidine-2,4(1H,3H)-diones] have been synthesized by 2: 1 condensation of 1,3-dimethylbarbituric acid with armatic aldehydes in the presence of methylamine. The synthesized compounds

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0204c24adce77376a5c33de9e269c4c2
https://doi.org/10.1134/s1070428019060174

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