Browsing Faculty of Natural and Agricultural Sciences by Author "Kabanda, Mwadham M."
Now showing items 1-13 of 13
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A theoretical study on the antioxidant properties of methoxy-substituted chalcone derivatives: a case study of kanakugiol and pedicellin through their Fe (II and III) coordination ability
Serobatse, Kemoabetswe R.N.; Kabanda, Mwadham M. (World Scientific Publishing, 2016)A theoretical study on the antioxidant properties of two chalcone derivatives, kanakugiol and pedicellin, is performed by considering their Fe2+ and Fe3+ coordination ability. The objective of the study is to elucidate the ... -
An appraisal of the hydrogen atom transfer mechanism for the reaction between thiourea derivatives and OH radical: a case-study of dimethylthiourea and diethylthiourea
Serobatse, Kemoabetswe R.N.; Kabanda, Mwadham M. (Elsevier, 2017)Reactions between thioureas (TUs) and hydroxyl radical ( OH) have wide applications in electrochemical, radiation, photochemical and biological processes. TUs + OH reactions have been suggested to proceed through either ... -
Antioxidant and antimalarial properties of butein and homobutein based on their ability to chelate iron (II and III) cations: a DFT study in vacuo and in solution
Serobatse, Kemoabetswe R.N.; Kabanda, Mwadham M. (Springer, 2016)A theoretical study on the antioxidant and antimalarial properties of butein and homobutein has been performed by considering their Fe2+ and Fe3+ chelation ability. In order to elucidate the origin of the antioxidant and ... -
Experimental and theoretical studies on some selected ionic liquids with different cations/anions as corrosion inhibitors for mild steel in acidic medium
Yesudass, Sasikumar; Olasunkanmi, Lukman O.; Bahadur, Indra; Kabanda, Mwadham M.; Obot, I.B.; Ebenso, Eno E. (Elsevier, 2016)Inhibition of mild steel corrosion in 1 M HCl solution by some alkylimidazolium-based ionic liquids (ILs) namely 1-ethyl-3-methylimidazolium ethylsulfate [EMIM]+[EtSO4]−, 1-ethyl-3-methylimidazolium acetate [EMIM]+[Ac]−, ... -
Experimental and theoretical studies on the corrosion inhibition of mild steel by some sulphonamides in aqueous HCl
Murulana, Lutendo C.; Kabanda, Mwadham M.; Ebenso, Eno Effiong (Royal Society of Chemistry, 2015)Corrosion inhibition studies of mild steel in aqueous HCl by some sulphonamides namely sulphamethazine (SMT), sulphachloropyridazine (SCP), sulphabenzamide (SBZ) and sulphaquinoxaline (SQX) has been investigated using ... -
Influence of the geometric isomers on the radical scavenging properties of 3,5-dicaffeoylquinic acid: a DFT study in vacuo and in solution
Makola, Mpho; Madala, Ntakadzeni Edwin; Dubery, Ian A.; Steenkamp, Paul Anton; Kabanda, Mwadham M. (World Scientific Publishing, 2016)3,5-Dicaffeoylquinic acid (diCQA) is a part of the chlorogenic acid group of compounds, largely isolated from food sources and possessing potent antioxidant activity. Only the trans-trans isomer exists in nature, however, ... -
Investigation of the adsorption characteristics of some selected sulphonamide derivatives as corrosion inhibitors at mild steel/hydrochloric acid interface: experimental, quantum chemical and QSAR studies
Murulana, Lutendo C.; Kabanda, Mwadham M.; Ebenso, Eno E. (Elsevier, 2016)Five sulphonamides derivatives namely, sulphanilamide (SNA), sulphamethoxazole (SMX), sulphadimethoxine (SDM), sulphisoxazole (SSZ), and sulphamethizole (SMZ) have been selected as corrosion inhibitors for mild steel in ... -
Preferential alkali metal adduct formation by cis geometrical isomers of dicaffeoylquinic acids allows for efficient discrimination from their trans isomers during ultra-high-performance liquid chromatography/quadrupole time-of-flight mass spectrometry
Makola, Mpho M.; Steenkamp, Paul A.; Dubery, Ian A.; Kabanda, Mwadham M.; Madala, Ntakadzeni E. (Wiley-Blackwell, 2016)RATIONALE: Caffeoylquinic acid (CQA) derivatives are a group of structurally diverse phytochemicals that have attracted attention due to their many health benefits. The structural diversity of these molecules is due in ... -
Quinoxaline derivatives as corrosion inhibitors for mild steel in hydrochloric acid medium: electrochemical and quantum chemical studies
Olasunkanmi, Lukman O.; Kabanda, Mwadham M.; Ebenso, Eno E. (Elsevier, 2016)The corrosion inhibition potential of four quinoxaline derivatives namely, 1-[3-(4-methylphenyl)-5-(quinoxalin-6-yl)-4,5-dihydropyrazol-1-yl]butan-1-one (Me-4-PQPB), 1-(3-(4-methoxyphenyl)-5-(quinoxalin-6-yl)-4,5-dihydro ... -
Structural elucidation of cis/trans dicaffeoylquinic acid photoisomerization using Ion Mobility Spectrometry-Mass Spectrometry
Zheng, Xueyun; Makola, Mpho M.; Kabanda, Mwadham M.; Dubery, Ian A.; Madala, Ntakadzeni E. (American Chemical Society, 2017)Due to the recently uncovered health benefits and anti-HIV activities of dicaffeoylquinic acids (diCQAs), understanding their structures and functions is of great interest for drug discovery efforts. DiCQAs are analytically ... -
Synthesis, crystal structure, thermal and theoretical studies of bis(N-ethyl-N-phenyldithiocarbamato) Ni(II) and (N-ethyl-N-phenyldithiocarbamato) (isothiocyanato) (triphenylphosphine) Ni(II)
Onwudiwe, Damian C.; Kabanda, Mwadham M.; Hosten, Eric; Ebenso, Eno E. (Springer, 2016)Homoleptic and heteroleptic Ni(II) complexes represented as NiL12 and NiL1L2L3 (where, L1 = N-ethyl-N-phenyldithiocarbamato anion, L2= isothiocyanato anion, and L3 = triphenylphosphine) were synthesized. The complexes have ... -
Synthesized photo-cross-linking chalcones as novel corrosion inhibitors for mild steel in acidic medium: experimental, quantum chemical and Monte Carlo simulation studies
Ramaganthan, Baskar; Yesudass, Sasikumar; Bahadur, Indra; Ebenso, Eno E.; Adekunle, Abolanle S.; Kabanda, Mwadham M.; Olasunkanmi, Lukman O. (Royal Society of Chemistry, 2015)New chalcone derivatives namely (E)-(1-(5-(4-(3-(4-methylphenyl)-3-oxoprop-1-enyl)phenoxy)pentyl)-1H-1,2,3-triazol-4-yl)methyl acrylate (CH-5), (E)-(1-(5-(4-(3-(4-methylphenyl)-3-oxoprop-1-enyl)phenoxy)hexyl)-1H-1,2,3-tr ... -
The effect of Geometrical Isomerism of 3,5-dicaffeoylquinic acid on its binding affinity to HIV-integrase enzyme: a molecular docking study
Makola, Mpho M.; Dubery, Ian A.; Kabanda, Mwadham M. (Hindawi Publishing Corporation, 2016)A potent plant-derived HIV-1 inhibitor, 3,5-dicaffeoylquinic acid (diCQA), has been shown to undergo isomerisation upon UV exposure where the naturally occurring 3𝑡𝑟𝑎𝑛𝑠,5𝑡𝑟𝑎𝑛𝑠-diCQA isomer gives rise to the ...