Thishana Singh
University of KwaZulu-Natal, Durban University of Technology, Stockholms Universitet, Uppsala Universitet, Göteborgs universitet
0000-0003-1007-4540
About
My research is the quantum chemical modelling of homogenously catalysed organic reactions in the inter-domain field of Physical-Organic Chemistry. The focus is primarily on catalytic asymmetric synthesis with many applications in the pharmaceutical and fine chemical industry. The optimisation of a catalyst offers a good understanding of the factors that are responsible for the rate and selectivity of a reaction. This is an imperative factor. Theoretical calculations which, together with kinetic measurements, often can pin down the mechanism. Using this methodology, it is possible to understand, and more importantly, design more effective catalysts for a number of asymmetric, catalytic processes. Hence, the aim is to perform a combined kinetics and quantum-chemical investigation in order to reveal the reaction mechanism and to understand the selectivity process of the catalyst in a reaction.
Employment
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University of KwaZulu-Natal Senior Lecturer2018 - Present
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Durban University of Technology Technician1995 - 2017
Education
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Stockholms Universitet Post-doc2013 - 2014
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Uppsala Universitet Post-doc2012 - 2013
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Göteborgs universitet Post-doc2012 - 2012
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University of KwaZulu-Natal PhD2005 - 2010
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Durban University of Technology MSc1999 - 2004
Projects & Funding
Projects & funding information is unavailable.
Publications (47)
- Discovering potent Onchocerca volvulus inhibitors from the ConMedNP library through virtual screening, MMGBSA, and molecular dynamics simulations Save
- Determination of Heavy Metal Contamination in Premium and Supermarket Brands of Extruded Feline and Canine Food in the South African Market Save
- Recent Developments in the Antimicrobial Efficacy of Coinage Metal (Cu, Ag, and Au) N‐Heterocyclic Carbene Complexes Save
- In Silico Study of Two Linear Furanocoumarins for Dual Inhibition of Human Rhinovirus and SARS‐CoV‐2 Save
- Thermodynamics and Computational Study of the Molecular Interactions of Imidazolium and Pyrrolidinium Based Ionic Liquids in Water Save
- An experimental and computational study to explore the ion–solvent interactions between selected ionic liquids and dimethylformamide Save
- Pyrazolyl-functionalised Ag(i)–NHC complexes: synthesis, characterisation, antibacterial activity, and computational investigation Save
- Biological Activity of Late Transition Metal‐Based Compounds: From Computational and Theoretical Studies to Laboratory Exploration and Beyond Save
- The Effect of Conformational Freedom vs Restriction on the Rate in Asymmetric Hydrogenation: Iridium‐Catalyzed Regio‐ and Enantioselective Monohydrogenation of Dienones Save
- Molecular Dynamics and Docking Investigation of Flavonol Aglycones against Sulfonylurea Receptor 1 (SUR1) for Anti–diabetic Drug Design Save