A5035976222- Synthesis and biological activity
- Synthesis and Characterization of Heterocyclic Compounds
- Nonlinear Optical Materials Research
- Computational Drug Discovery Methods
- Synthesis of Tetrazole Derivatives
- Boron and Carbon Nanomaterials Research
- Inorganic and Organometallic Chemistry
- Carbon Nanotubes in Composites
- Mycotoxins in Agriculture and Food
- Heavy metals in environment
- Fullerene Chemistry and Applications
- Graphene research and applications
- ZnO doping and properties
- Pesticide Residue Analysis and Safety
- Free Radicals and Antioxidants
- Environmental and Analytical Chemistry Studies
- Photochemistry and Electron Transfer Studies
- Synthesis and Biological Evaluation
University of Cross River State
2017-2023
University of Calabar
2022-2023
Abstract In this study, ( E )-5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-diylbis(hydrogen sulfite), a cyanurated H-acid (CHA) azo dye, was synthesized and characterized using FT-IR spectrophotometer GC-MS spectroscopy. A density functional theory (DFT) based B3LYP CAM-B3LYP method with 6–311 + G (d,p) basis set analysis computed for HOMO-LUMO, natural bonding orbitals (NBO), UV-Vis absorptions excitation interactions, in order to understand its...
The geometry, frontier molecular orbitals (FMOs), vibrational, NBO analysis, and docking simulations of aflatoxins (B1, B2, M1, M2, G1, G2), zearalenone (ZEA) emodin (EMO), alternariol (AOH), monoethyl ether (AMME), tenuazonic acid (TeA) mycotoxins have been extensively theoretically studied discussed based on quantum density functional theory calculations using Gaussian 16 software package. theoretical computation for the geometry optimization, NBOs, interaction was conducted Density...
Advanced computational tools allowed to study a pure commercial sample of dichlorodiphenyltrichloroethane (DDT) prepared in liquid phase KBr pellets and characterized using FT-IR GC-MS followed by the application DDT for molecular docking against human estrogen receptor alpha. The compound was modelled GaussView software. Using Veda 04 program, theoretical vibrational energy distributions experimental frequencies were compared. Interestingly, C1 C2�possess highest atomic charge density...
Abstract The synthesis of 4-chloro-6(phenylamino)-1,3,5-triazin-2-yl)amino-4-(2,4 dichlorophenyl)thiazol-5-yl-diazenyl)phenyl is reported in this work with a detailed structural and molecular docking study on two SARS-COV-2 proteins: 3TNT 6LU7. studied compound has been synthesized by the condensation cyanuric chloride aniline characterized various spectroscopic techniques. experimentally obtained data compared theoretical calculated results achieved using high-level density functional...
Pattern in Typha domingensis invaded Soil Bauchi, NigeriaThe speciation of some heavy metals on soil along Gombe road, Bauchi were evaluated.Soil samples from the domengensis and control site collected analysed for exchangeable bound metals, carbonate manganese iron-manganese organic/sulphide residual metals.The results found to be metals; Fe 1.47 ± 0.21 mg/dm3, Zn 1.45 0.02 mg/dm3 Pb 0.16 0.04 mg/dm3.Carbonate 26.10 1.01 2.66 0.17 0.89 0.03 Manganese 14.50 0.45 4.03 0.78 1.22 0.06...
Advanced computational tools allowed to study a pure commercial sample of dichlorodiphenyltrichloroethane (DDT) prepared in liquid phase KBr pellets and characterized using FT-IR GC-MS followed by the application DDT for molecular docking against human estrogen receptor alpha. The compound was modelled GaussView software. Using Veda 04 program, theoretical vibrational energy distributions experimental frequencies were compared. Interestingly, C1 C2�possess highest atomic charge density...