Atmospheric Free-Radicals: Exploring the Role of Nitrate Radicals in the Oxidative Damage of Bio-Surfaces. This project falls within the National Research Priority 2 (Promoting and Maintaining Good Health) as identified by the ARC, specifically Priority Goal 2 (Ageing well, ageing productively) and Priority Goal 3 (Preventive healthcare). The study will lead to a better understanding of environmental factors influencing health and welfare of Australians every age and will provide unique opport ....Atmospheric Free-Radicals: Exploring the Role of Nitrate Radicals in the Oxidative Damage of Bio-Surfaces. This project falls within the National Research Priority 2 (Promoting and Maintaining Good Health) as identified by the ARC, specifically Priority Goal 2 (Ageing well, ageing productively) and Priority Goal 3 (Preventive healthcare). The study will lead to a better understanding of environmental factors influencing health and welfare of Australians every age and will provide unique opportunities for students to be trained in cutting-edge basic research. Knowledge and fundamental understanding of the damage of bio-surfaces caused by atmospheric free-radical oxidants and their potential role in ageing processes will help to develop novel medical strategies, which substantially contribute to the quality of Australian sciences.Read moreRead less
New insights into free radical reactivity via gas phase studies of radical anions. Free radicals are known to be critical reactive intermediates in chemical processes ranging from the formation of photochemical smog, through combustion to the onset of age-related diseases. This research increases our understanding of how free radicals react and will thus allow for more accurate prediction, and in some instances greater control, of the outcomes of chemical reactions and their health and environme ....New insights into free radical reactivity via gas phase studies of radical anions. Free radicals are known to be critical reactive intermediates in chemical processes ranging from the formation of photochemical smog, through combustion to the onset of age-related diseases. This research increases our understanding of how free radicals react and will thus allow for more accurate prediction, and in some instances greater control, of the outcomes of chemical reactions and their health and environmental consequences. New instrumental technologies will be developed and young Australian researchers will be trained here, and with collaborators in the USA, in state-of-the-art techniques (particularly in mass spectrometry) that are essential to our emerging technology-based economy.Read moreRead less
A new approach to the generation of long-lived charge-separated states in rigid Donor-Bridge-Acceptor systems. Electron transfer and energy transfer are ubiquitous in nature and they provide the key to the design of energy transducing materials. Considerable effort is being expended into studying light-induced electron transfer which leads to the formation of a charge-separated state or molecular "battery". To be useful, these batteries should have lifetimes at least in the microsecond domain ....A new approach to the generation of long-lived charge-separated states in rigid Donor-Bridge-Acceptor systems. Electron transfer and energy transfer are ubiquitous in nature and they provide the key to the design of energy transducing materials. Considerable effort is being expended into studying light-induced electron transfer which leads to the formation of a charge-separated state or molecular "battery". To be useful, these batteries should have lifetimes at least in the microsecond domain and this is not easily achieved in practice. This project will explore a new, elegant, and promising approach to the efficient generation of very long-lived charge-separated states in rigid systems, which is based on triplet sensitisation.
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Free Radicals in Chemistry and Biology: A Computational Quantum Chemistry Investigation. This proposal aims to carry out state-of-the-art chemistry research using computers rather than traditional laboratory techniques. Free radicals, which have widespread importance in the multibillion dollar polymer and health industries, form the centrepiece of the proposal. These are highly reactive substances that are difficult to study by conventional experimental techniques but ideal to study using compu ....Free Radicals in Chemistry and Biology: A Computational Quantum Chemistry Investigation. This proposal aims to carry out state-of-the-art chemistry research using computers rather than traditional laboratory techniques. Free radicals, which have widespread importance in the multibillion dollar polymer and health industries, form the centrepiece of the proposal. These are highly reactive substances that are difficult to study by conventional experimental techniques but ideal to study using computers. The increased understanding of free radicals that will stem from this research may help in dealing with ageing, and afflictions such as hardening of the arteries and vitamin B12 deficiency. It will also result in the training at the highest level of new generations of chemists in this exciting field of "chemistry with computers".Read moreRead less
Structures and Properties of beta-R3M (M = Si, Ge, Sn)- and beta-Chalcogenyl-substituted Carbenium Ions. The benefits of this work are many-fold. The scientific knowledge gained will be invaluable to all scientists working in organic chemistry; mechanistic chemists who will learn from the science, and synthetic organic chemists who can utilise the results when planning strategies for the synthesis of complex drugs. Another major benefit of this research is in the training of young scientists. Th ....Structures and Properties of beta-R3M (M = Si, Ge, Sn)- and beta-Chalcogenyl-substituted Carbenium Ions. The benefits of this work are many-fold. The scientific knowledge gained will be invaluable to all scientists working in organic chemistry; mechanistic chemists who will learn from the science, and synthetic organic chemists who can utilise the results when planning strategies for the synthesis of complex drugs. Another major benefit of this research is in the training of young scientists. The students who work on this proposal gain invaluable experience in many areas of chemistry, ranging from synthetic chemistry to structural chemistry and theoretical chemistry. They will also gain experience in important physical techniques from NMR spectroscopy to X-ray crystallography.Read moreRead less
Computational Quantum Chemistry Study of Molecular Structures, Stabilities and Reactions. Computational quantum chemistry is revolutionizing the study and practice of chemistry. We will use state-of-the-art computer calculations to investigate chemical structures, stabilities and reactions, particularly for free radicals. Radicals are of great importance in chemistry, biology and polymer science, but are difficult to study experimentally. We will use the computer calculations to determine how ....Computational Quantum Chemistry Study of Molecular Structures, Stabilities and Reactions. Computational quantum chemistry is revolutionizing the study and practice of chemistry. We will use state-of-the-art computer calculations to investigate chemical structures, stabilities and reactions, particularly for free radicals. Radicals are of great importance in chemistry, biology and polymer science, but are difficult to study experimentally. We will use the computer calculations to determine how to make radicals more stable, how they react to produce polymers, how they cause damage to proteins, and how they are involved in helping vitamin B12 make reactions go faster. We will create new methodologies in order to reliably achieve these goals.Read moreRead less
Hydrogen Bonding, Hydrogen Transfer, Hydrogenation and Hydrogenolysis: A Computational Quantum Chemistry Investigation. This proposal aims to carry out state-of-the-art chemistry research using computer modelling rather than traditional laboratory methods. The computer calculations are directed towards designing catalysts that will provide more efficient ways to convert environmentally harmful carbon dioxide to a valuable chemical fuel methanol, and to convert toxic polychlorinated hydrocarbon ....Hydrogen Bonding, Hydrogen Transfer, Hydrogenation and Hydrogenolysis: A Computational Quantum Chemistry Investigation. This proposal aims to carry out state-of-the-art chemistry research using computer modelling rather than traditional laboratory methods. The computer calculations are directed towards designing catalysts that will provide more efficient ways to convert environmentally harmful carbon dioxide to a valuable chemical fuel methanol, and to convert toxic polychlorinated hydrocarbon wastes to benign products. The increased understanding of free radicals that will stem from this research may ultimately help in dealing with problems associated with heart disease, some forms of cancer and vitamin B12 deficiency. New generations of chemists will be trained at the highest level in this burgeoning field of computational chemistry.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0989197
Funder
Australian Research Council
Funding Amount
$225,000.00
Summary
Reaction Kinetics Analysis Facility. This proposal will establish a world-class resource to support major research efforts in a wide range of applications associated with the study of reaction mechanisms and intermediates in systems ranging from small molecules to complex polymers. This facility, which is unique in Australia and strongly builds on the broad expertise of the involved researchers at the participating institutions, will address an important need in the areas of physical-organic and ....Reaction Kinetics Analysis Facility. This proposal will establish a world-class resource to support major research efforts in a wide range of applications associated with the study of reaction mechanisms and intermediates in systems ranging from small molecules to complex polymers. This facility, which is unique in Australia and strongly builds on the broad expertise of the involved researchers at the participating institutions, will address an important need in the areas of physical-organic and physical chemistry by strengthening our capacity for cutting-edge research in reactive intermediate chemistry. The Facility will help to establish frontier technologies in the chemical sciences for building and transforming Australian industries in line with national research priorities.Read moreRead less
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.Read moreRead less