A5031866890- Organic Chemistry Cycloaddition Reactions
- Inorganic and Organometallic Chemistry
- Nonlinear Optical Materials Research
- Synthesis and biological activity
- Chemical Reaction Mechanisms
- Phenothiazines and Benzothiazines Synthesis and Activities
- Synthesis and Characterization of Heterocyclic Compounds
- Salmonella and Campylobacter epidemiology
- Computational Drug Discovery Methods
- Fluorine in Organic Chemistry
- Protein Interaction Studies and Fluorescence Analysis
- Concrete Corrosion and Durability
- Synthesis and Biological Evaluation
- Plant-Derived Bioactive Compounds
- Carbon Nanotubes in Composites
- Quinazolinone synthesis and applications
- Moringa oleifera research and applications
- Pharmacological Effects of Natural Compounds
- Organic and Molecular Conductors Research
- Free Radicals and Antioxidants
- Vibrio bacteria research studies
- Bioactive Compounds and Antitumor Agents
- Garlic and Onion Studies
- Microplastics and Plastic Pollution
- Fullerene Chemistry and Applications
University of Cross River State
2020-2024
University of Calabar
2021-2024
University of Uyo
2023
ORCID
2020
The aromaticity and CDFT properties of naphthalene its aza-derivatives were theoretically investigated using density functional theory (DFT) electronic structure method. reactivity chemistry Azanaphthalene (1-AN), 1, 2-diazanaphthalene (1, 2-DAN), 3-diazanaphthalene 3-DAN), 4-diazanaphthalene (1,4-DAN), 5-diazanaphthalene 5-DAN), 6-diazanaphthalene 6-DAN), 7-diazanaphthalene (1,7-DAN) 8-diazanaphthalene 8-DAN) thoroughly explored predicted focusing more on the fuzzy atomic space analysis,...
This study explains the vibration and interaction of p-xylene effect three elements (fluorine, chlorine bromine) halogen family substitution on it. Basic chemistry four, compounds (PX); 3,6-diflouro-p-xylene (DFPX); 3,6-dichloro-p-xylene (DCPX) 3,6-dibromo-p-xylene (DBPX) has been explained extensively using theoretical approach. Vibrational energy distribution analysis (VEDA) software was used to potential (PED) analysis, bond length, angles dihedral PX, DFPX, DCPX, DBPX after optimization...
In this study, two novel derivatives of naphthalene-2-sulfonic acid: 6-(((1S,5R)-3,5-dichloro-2,4,6-triazabicyclo [z3.1.0]hex-3-en-1-yl)amino)-5-((E)-phenyldiazenyl)naphthalene-2-sulfonic acid (DTPS1) and (E)-6-((4,6-dichloro-1,3,5-triazine2-yl)amino)-4-hydroxy-3-(phenyldiazenyl)naphthalene-2-sulfonic (DTPS2) have been synthesized characterized using FT-IR, UV-vis, NMR spectroscopic techniques. Applying density functional theory (DFT) at the B3LYP, APFD, PBEPBE, HCTH, TPSSTPSS,...
Cissampeline, a highly promising natural substance derived from medicinal plants of the Cissampelos genus, has recently garnered significant interest due to its potent antiviral properties against broad spectrum viral infections. In this comprehensive study, we employed gd3bj-B3LYP/def2svp level theory investigate impact polar solvation on molecular structure, dynamical stability, spectroscopy, nature bonding, and inhibitory potential Cissampeline. Our results demonstrated excellent...
<h2>Abstract</h2> The inter-fragment interactions at various binding sites and the overall cluster stability of quinolone (QNOL), cinnoline (CNOL), quinazoline (QNAZ), quinoxaline (QNOX) complexes with H<sub>2</sub>O were studied using density functional theory (DFT) approach. adsorption H-bond energies, energy decomposition mechanism was considered to determine relative stabilization status clusters. Scanning tunneling microscopy (STM), natural bonding orbitals (NBO) charge expose...
Tuberculosis which is mainly caused by Mycobacterium tuberculosis remains of public health importance due to the resistance causative pathogen present antibiotics used as treatment options. This has led need for discovery new Herein, isolation, geometrical optimization, spectroscopic NMR and FT-IR analysis, a study weak interactions, electronic properties, in-silico biological activity 3,3′-di-O-methyl ellagic acid (DMA) were determined. In addition, effect solvent on kinetic stability,...
Abstract Owing to the growing prevalence of uropathogenic Escherichia coli (UPEC) strains that are more recently resistant last-line antibiotic treatments, such as carbapenems and colistin drugs, urinary tract infections (UTIs) a prime example resistance crisis emphasize need for new approaches treat prevent bacterial infections. The antibacterial effect 4-((5-bromo-2-hydroxybenzlidene) amino)-1,5-dimethyl1-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (BDP), Schiff base derivative, was tested...
<title>Abstract</title> Cholera has become one of the major global health challenges, especially in sub-Saharan Africa, where there is poor hygiene and sanitation, due to emergence a resistant strain causative agent cholera, need for new therapeutic agents. Thiadiazoles are organic compounds that have been reported various biological applications. This study comprehensively analysed structural, electronic, properties N1,N10-bis(5-(2-oxo-2H-chromen-3yl)-1,3,4-thiadiazol-2-yl)-decane-diamide,...
Synthetic plastics are polymers produced from petrochemicals and typically used as packaging materials. They portable, lightweight, strong. The main issue with synthetic is that they cannot degrade, which why natural polymers, also known biopolymers, have emerged. By using plastics' toxic effects on the environment reduced. Although it nearly impossible to completely replace all conventional environmentally friendly materials, may be in many industries including food materials sector....
Abstract Cyclobutane and its halo-substituted derivatives heteroatom doped have been extensively investigated in this study because of the vast applications interesting chemistry associated with them, vibrational assignments, Natural Bond Orbital (NBO) analysis, Conceptual Density Functional Theory, Quantum Mechanical Descriptors Molecular Electrostatic Potential (MEP) analysis explored study. The corresponding wavenumbers studied compounds as well assigned by Energy Distribution analysis....
Abstract Background: The chemistry of cyclopropanes has been widely studied over the years as a result its high reactivity which is due to highly strained ring. cyclopropane ring significant in drug research 10 th most frequently found small molecules and such, there need for improve further natural products pharmaceuticals. In this work, we present an extremely comprehensive detailed investigation on variety properties including Geometrical properties, bonding nature, bond polarity index...