A5034826426- Metal complexes synthesis and properties
- Synthesis and biological activity
- Advanced NMR Techniques and Applications
- Advanced Chemical Physics Studies
- Molecular spectroscopy and chirality
- Synthesis and Properties of Aromatic Compounds
- CO2 Reduction Techniques and Catalysts
- Computational Drug Discovery Methods
- Natural product bioactivities and synthesis
- Advanced Photocatalysis Techniques
- Aquatic Ecosystems and Phytoplankton Dynamics
- DNA and Nucleic Acid Chemistry
- Inorganic and Organometallic Chemistry
- Magnetism in coordination complexes
- Synthesis and Characterization of Heterocyclic Compounds
- Porphyrin and Phthalocyanine Chemistry
- Plant biochemistry and biosynthesis
- Phytochemistry and Biological Activities
- Radical Photochemical Reactions
- Free Radicals and Antioxidants
- Aquatic Ecosystems and Biodiversity
- Marine and coastal ecosystems
- Spectroscopy and Quantum Chemical Studies
- Natural Antidiabetic Agents Studies
- Nanoparticles: synthesis and applications
University of Botswana
2021-2025
Addis Ababa University
2018-2021
Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry
2020-2021
UiT The Arctic University of Norway
2012-2019
Centre for Arctic Gas Hydrate, Environment and Climate
2015-2017
Polish Academy of Sciences
2012-2016
Tromsø research foundation
2015-2016
Institute of Physical Chemistry
2013-2016
Hawassa University
2010
Computer aided toxicity and pharmacokinetic prediction studies attracted the attention of pharmaceutical industries as an alternative means to predict potential drug candidates. In present study, in-silico properties (ADME), drug-likeness, profiles sixteen antidiabetic flavonoids that have ideal bidentate chelating sites for metal ion coordination were examined using SwissADME, Pro Tox II, vNN ADMETlab web tools. Density functional theory (DFT) calculations also employed calculate quantum...
Thiazole-based Schiff base compounds display significant pharmacological potential with an ability to modulate the activity of many enzymes involved in metabolism. They also demonstrated have antibacterial, antifungal, anti-inflammatory, antioxidant, and antiproliferative activities. In this work, conventional green approaches using ZnO nanoparticles as catalyst were used synthesize thiazole-based compounds.
Herein, we report novel Co(II) and V(IV) complexes synthesized from an (E)-2-(((2-((2-hydroxyethyl)amino)quinolin-3-yl)methylene)amino)ethan-1-ol ligand (L), cobalt(II) chloride hexahydrate, vanadyl(IV) sulfate in methanolic solutions. The the were characterized by 1H NMR spectroscopy,13C spectroscopy, UV-visible fluorescence FT-IR powder X-ray diffraction (PXRD), scanning electron microscopy-energy dispersive spectroscopy (SEM-EDX), mass (MS), thermal analysis, molar conductance. spectral...
In the present work, two novel complexes of zinc(II) and copper(II) were synthesized from ligand 2-((2-hydroxyethyl)amino)quinoline-3-carbaldehyde (H 2 L) in a 1:2 metal-to-ligand ratio methanol. The characterized by UV-visible spectroscopy, fluorescence Fourier transform infrared (FT-IR) powder X-ray diffraction (XRD), scanning electron microscopy-energy-dispersive spectroscopy (SEM-EDX), mass spectrometry (MS), nuclear magnetic resonance (NMR) thermogravimetric analysis (TGA) experimental...
Due to biochemically active secondary metabolites that assist in the reduction, stabilization, and capping of nanoparticles, plant-mediated nanoparticle synthesis is becoming more popular. This because it allows for ecologically friendly, feasible, sustainable, cost-effective green techniques. study describes biosynthesis silver nanoparticles (AgNPs) functionalized with histidine phenylalanine using Lippia abyssinica (locally called koseret) plant leaf extract. The functionalization amino...
Abstract Nowadays, metal oxide nanoparticles (MO NPs) are powerful tools for biological applications due to their distinctive features. Moreover, the efficacy of multimetallic NPs is more fascinating because structural modifications and synergistic effects. This study utilized one-pot green route fabricate trimetallic ZnO-MgO-CuO (ZMC) employing a greener reducing agent from Artemisia abyssinica leaf extract (AALE). The crystal structure, size, compositions, shapes, external topology ZMC...
Turning a new leaf: The first structures isolated from Thuiaria breitfussi, the breitfussins, are presented. This structural class consists of indole–oxazole–pyrrole units. Limited quantities prevented crystallization; therefore, were solved using novel combination AFM, computer-aided structure elucidation (CASE), and DFT calculations. Visualization by AFM determined all connection points cyclic systems other substituents.
Visible-light photoredox catalysis has come forth as a powerful activation mode in chemical synthesis, affording the development of multitude new strategies for molecular construction. However, detailed mechanistic knowledge various subprocesses involved is lacking, and tools addressing this are needed to drive innovation forward area. Herein, we describe predictions ground- excited-state redox potentials ruthenium iridium photocatalysts using nonrelativistic scalar relativistic zero-order...
Cancer is characterized by abnormal cell differentiation in or on the part of body. The most commonly used chemotherapeutic drugs are developed to target rapidly dividing cells, such as cancer but they also damage healthy epithelial cells. This has serious consequences for normal cells and become responsible development various disorders. Several strategies delivering cytotoxic cancerous sites that limit systemic toxicity other adverse effects have recently been evolved. Among them,...
This study describes new electrocatalyst materials that can detect and reduce environmental pollutants. The synthesis characterization of semiconductor nanocomposites (NCs) made from active ZrO2@S-doped g-C3N4 is presented. Electrochemical impedance spectroscopy (EIS) Mott-Schottky (M-S) measurements were used to examine electron transfer characteristics the synthesized samples. Using X-ray diffraction (XRD) high-resolution scanning microscopy (HR-SEM) techniques, inclusion monoclinic ZrO2...
Currently, plant extract-mediated synthesized metal oxide nanoparticles (MO NPs) have played a substantial role in biological applications. Hence, this study focused on the eco-benign one-pot synthesis of bimetallic ZnO–CuO (ZC using leaf extract Artemisia abyssinica (LEAA) and evaluations their anticancer, antioxidant, molecular binding efficacy. The optical absorption peak at 380 nm from UV–visible (UV–vis) analysis revealed formation ZC NPs. X-ray diffraction (XRD) results fabrication...
We demonstrate that the apparent disagreement between experimental determinations and four-component relativistic calculations of absolute shielding constants heavy nuclei is due to breakdown commonly assumed relation electronic contribution nuclear spin-rotation paramagnetic NMR constants. this has significant consequences for constant (119)Sn, leading errors about 1000 ppm. As a consequence, we expect many will be in need revision.
The utilization of metallodrugs as a viable alternative to organic molecules has gained significant attention in modern medicine. We hereby report synthesis new imine quinoline ligand (IQL)-based Cu(II) complexes and evaluation their potential biological applications. Syntheses the were achieved by condensation 7-chloro-2-hydroxyquinoline-3-carbaldehyde 2,2′-thiodianiline, followed complexation with metal ions. synthesized characterized using UV–vis spectroscopy, TGA/DTA, FTIR 1H 13C NMR...
[Cu(C15H9O4)(C12H8N2)O2C2H3]·3H2O (1) and [Zn(C15H9O4)(C12H8N2)]O2C2H3 (2) have been synthesized characterized by ultraviolet-visible (UV-vis) spectroscopy, Fourier transform infrared (FTIR) mass spectrometry, thermogravimetric analysis/differential thermal analysis (TGA/DTA), X-ray diffraction (XRD), scanning electron microscopy-energy-dispersive spectroscopy (SEM-EDX), molar conductance, supported density functional theory (DFT) time-dependent DFT (TD-DFT) calculations. Square pyramidal...
CuO/ZrO 2 @S-doped g-C 3 N 4 nanocomposites enhance catalysis and biosensing of environmental pollutants by improving electron–hole separation increasing active sites, showing high electrocatalytic performance.
Olinia rochetiana is one of the medicinal plants traditionally used in Ethiopia to treat various ailments, including wounds, snake bites, tuberculosis, and cancer. However, there a lack comprehensive investigation regarding biological activities phytoconstituents extracted from its leaves. This study aims isolate compounds evaluate their vitro antibacterial properties DPPH radical scavenging activities, complemented by silico molecular modeling. Thirteen were identified using GC–MS combined...
We present an analysis of the spin–rotation and absolute shielding constants XF6 molecules (X = S, Se, Te, Mo, W) based on ab initio coupled cluster four-component relativistic density-functional theory (DFT) calculations. The results show that contributions to are large both for heavy elements as well fluorine nuclei. In most cases, incorporating computed corrections significantly improves agreement between our well-established experimental values isotropic their anisotropic components....
Abstract The methylation of Hg II (SCH 3 ) 2 by corrinoid‐based methyl donors proceeds in a concerted manner through single transition state transfer radical, contrast to previously proposed reaction mechanisms. This mechanism is consequence relativistic effects that lower the energies mercury 6p 1/2 and 3/2 orbitals, making them energetically accessible for chemical bonding. In absence spin–orbit coupling, predicted qualitatively different. first example relativity being decisive nature an...
We present an implementation of the nuclear spin–rotation (SR) constants based on relativistic four-component Dirac–Coulomb Hamiltonian. This formalism has been implemented in framework Hartree–Fock and Kohn–Sham theory, allowing assessment both pure hybrid exchange–correlation functionals. In density-functional theory (DFT) response equations, a noncollinear generalized gradient approximation (GGA) used. The approach enforces restricted kinetic balance condition for small-component basis at...
Interest is increasingly focused on the use of transition metal complexes as biochemical, medical, analytical, pharmaceutical, agronomic, anticancer, and antibacterial agents. In this study, three [Zn(H2L)Cl] (1), [Cu(H2L)(H2O)(NO3)] (2) [Ni(H2L)(NO3)].2H2O (3) were synthesized from a 2-chloroquinoline-3-carbaldehyde derived ligand [H3L = ((E)-2-(((2-((2-hydroxyethyl)amino)quinolin-3-yl)methylene)amino)ethanol. The compounds characterized using physicochemical spectroscopic methods. results...