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Field of Research : Quantum Chemistry
Field of Research : Mechanisms Of Reactions
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  • Funded Activity

    Discovery Projects - Grant ID: DP0208952

    Funder
    Australian Research Council
    Funding Amount
    $187,118.00
    Summary
    Hydrogen Abstraction in Chemical, Biochemical and Polymerization Processes. Hydrogen-abstraction reactions are of vital importance in the chemical, biochemical and polymerization processes that occur in everyday life. The objective of the proposed research is to improve our understanding of such reactions. State-of-the-art quantum chemistry calculations will be used to examine a broad range of hydrogen-abstraction reactions, and to obtain accurate information about the factors that influence suc .... Hydrogen Abstraction in Chemical, Biochemical and Polymerization Processes. Hydrogen-abstraction reactions are of vital importance in the chemical, biochemical and polymerization processes that occur in everyday life. The objective of the proposed research is to improve our understanding of such reactions. State-of-the-art quantum chemistry calculations will be used to examine a broad range of hydrogen-abstraction reactions, and to obtain accurate information about the factors that influence such reactions. Building on this work, more detailed case studies will be performed in two important areas: the hydrogen-abstraction steps in biochemical reactions mediated by coenzyme B12, and chain-transfer processes in conventional and controlled free-radical polymerization.
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    Funded Activity

    Discovery Projects - Grant ID: DP0985623

    Funder
    Australian Research Council
    Funding Amount
    $244,591.00
    Summary
    Exploring new roles for phosphorus radicals in health, environment, and technology. Several practical outcomes will arise from this project. Information on processes that contribute to genetic disease and cancer will be derived through studies of the role of phosphorus radicals in DNA damage. Processes that lead to the degradation of natural and synthetic materials in the environment will be explored. Clean reactions will be developed for the fabrication of advanced materials (e.g. pharmaceutica .... Exploring new roles for phosphorus radicals in health, environment, and technology. Several practical outcomes will arise from this project. Information on processes that contribute to genetic disease and cancer will be derived through studies of the role of phosphorus radicals in DNA damage. Processes that lead to the degradation of natural and synthetic materials in the environment will be explored. Clean reactions will be developed for the fabrication of advanced materials (e.g. pharmaceuticals). These innovations will expand Australia's international profile in a growing research area. The project will also address three of Australia's National Research Priorities, contribute to the training of researchers in Free Radical Chemistry, and initiate research collaborations with institutions in France and the USA.
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    Funded Activity

    Discovery Projects - Grant ID: DP0664792

    Funder
    Australian Research Council
    Funding Amount
    $240,000.00
    Summary
    Nucleophilic carbenes as organocatalysts for asymmetric synthesis. Chemical compounds which come in two chiral mirror images (enantiomers) can have very different biological function. Often one form can have beneficial effects while the other can cause great harm (such as birth defects in the case of thalidomide). It is therefore very important for the drug industry to have asymmetric chemical reactions that lead specifically to only one enantiomer. The asymmetric reactions in this project ha .... Nucleophilic carbenes as organocatalysts for asymmetric synthesis. Chemical compounds which come in two chiral mirror images (enantiomers) can have very different biological function. Often one form can have beneficial effects while the other can cause great harm (such as birth defects in the case of thalidomide). It is therefore very important for the drug industry to have asymmetric chemical reactions that lead specifically to only one enantiomer. The asymmetric reactions in this project have been used previously to synthesise the anti-cancer metabolite roseophilin. The results of this project will ensure that there are many more similar success stories in the pharmaceutical and biotechnology industries.
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