Výsledky vyhledávání - "Patrick M. Utsu"

Akademický článek

Understanding the aqueous chemistry of quinoline and the diazanaphthalenes: insight from DFT study

Autor: Obieze C. Enudi, Hitler Louis, Moses M. Edim, John A. Agwupuye, Francis O. Ekpen, Emmanuel A. Bisong, Patrick M. Utsu

Publikováno v: Heliyon, Vol 7, Iss 7, Pp e07531- (2021)

The inter-fragment interactions at various binding sites and the overall cluster stability of quinolone (QNOL), cinnoline (CNOL), quinazoline (QNAZ), and quinoxaline (QNOX) complexes with H2O were studied using the density functional theory (DFT) app

Externí odkaz: https://doaj.org/article/754fe6d7a8e040a996905b43a1c95e1e

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Akademický článek

Investigation on electronic structure, vibrational spectra, NBO analysis, and molecular docking studies of aflatoxins and selected emerging mycotoxins against wild-type androgen receptor

Autor: John A. Agwupuye, Peter A. Neji, Hitler Louis, Joseph O. Odey, Tomsmith O. Unimuke, Emmanuel A. Bisiong, Ededet A. Eno, Patrick M. Utsu, Tabe N. Ntui

Publikováno v: Heliyon, Vol 7, Iss 7, Pp e07544- (2021)

The geometry, frontier molecular orbitals (FMOs), vibrational, NBO analysis, and molecular docking simulations of aflatoxins (B1, B2, M1, M2, G1, G2), zearalenone (ZEA) emodin (EMO), alternariol (AOH), alternariol monoethyl ether (AMME), and tenuazon

Externí odkaz: https://doaj.org/article/fc17b954709d44f1a5963905dce51b72

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Akademický článek

Vibrational, electronic, spectroscopic properties, and NBO analysis of p-xylene, 3,6-difluoro-p-xylene, 3,6-dichloro-p-xylene and 3,6-dibromo-pxylene: DFT study

Autor: Emmanuel A. Bisong, Hitler Louis, Tomsmith O. Unimuke, Joseph O. Odey, Emmanuel I. Ubana, Moses M. Edim, Fidelis Timothy Tizhe, John A. Agwupuye, Patrick M. Utsu

Publikováno v: Heliyon, Vol 6, Iss 12, Pp e05783- (2020)

This study explains the vibration and interaction of p-xylene and effect of three elements (fluorine, chlorine and bromine) of the halogen family substitution on it. Basic chemistry of four, compounds p-xylene (PX); 3,6-diflouro-p-xylene (DFPX); 3,6-

Externí odkaz: https://doaj.org/article/b978e865de0d4af8b2c554027182d457

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Understanding the aqueous chemistry of quinoline and the diazanaphthalenes: insight from DFT study

Autor: John A. Agwupuye, Patrick M. Utsu, Moses M. Edim, Obieze C. Enudi, Francis O. Ekpen, Hitler Louis, Emmanuel A. Bisong

Publikováno v: Heliyon, Vol 7, Iss 7, Pp e07531-(2021)
Heliyon

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f324a930571f17415c9dd4495ad79e5
http://www.sciencedirect.com/science/article/pii/S2405844021016340

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Vibrational, electronic, spectroscopic properties, and NBO analysis of p-xylene, 3,6-difluoro-p-xylene, 3,6-dichloro-p-xylene and 3,6-dibromo-pxylene: DFT study

Autor: Hitler Louis, Moses M. Edim, Patrick M. Utsu, Joseph O. Odey, Emmanuel I. Ubana, Emmanuel A. Bisong, John A. Agwupuye, Fidelis Timothy Tizhe, Tomsmith O. Unimuke

Publikováno v: Heliyon
Heliyon, Vol 6, Iss 12, Pp e05783-(2020)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::15ca47730992ddb2c11fa84de357f378
https://pubmed.ncbi.nlm.nih.gov/33385089

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Investigation on electronic structure, vibrational spectra, NBO analysis, and molecular docking studies of aflatoxins and selected emerging mycotoxins against wild-type androgen receptor

Autor: Hitler Louis, Ededet A. Eno, Patrick M. Utsu, Emmanuel A. Bisiong, Tomsmith O. Unimuke, Joseph O. Odey, Peter A. Neji, John A. Agwupuye, Tabe N. Ntui

Publikováno v: Heliyon, Vol 7, Iss 7, Pp e07544-(2021)
Heliyon

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1a2756d3d18ca00bc45246e5e0cb7a37
https://doi.org/10.1016/j.heliyon.2021.e07544

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Experimental and density functional theory studies on the adsorption behavior of selected gas molecules on Mg(II) coordination polymer constructed with 1,3,5-benzenetricarboxylates

Autor: Ayi A. Ayi, Esther Edison Ekpenyong, Patrick M. Utsu, Chinyere A. Anyama, Hitler Louis, Joseph O. Ogar

Publikováno v: Journal of Molecular Structure. 1220:128641

An optimized structure of Mg(H2BTC)2(H2O)2, 2 derived from Mg(II)-1,3,5-benzenetricarboxylates with the composition Mg(H2BTC)2(H2O)4, 1 (CCDC 1998471) by elimination of two coordinated aqua ligand, was used to adsorbed selected gas molecules. The ads

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::23864fb8bb0b79d0db4c51f3c0214937
https://doi.org/10.1016/j.molstruc.2020.128641

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