Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0347582
Funder
Australian Research Council
Funding Amount
$500,000.00
Summary
South Australian Supercomputing Facility. This grant will fund the construction and installation of a state-of-the-art, heterogeneous supercomputing facility to be named the "South Australian Supercomputing Facility". The facility will be available to all of the State's academic and industrial researchers with advanced high-performance computing needs in a transparent and equitable way. Areas of research excellence to be supported by the facility include but are not limited to: research in comp ....South Australian Supercomputing Facility. This grant will fund the construction and installation of a state-of-the-art, heterogeneous supercomputing facility to be named the "South Australian Supercomputing Facility". The facility will be available to all of the State's academic and industrial researchers with advanced high-performance computing needs in a transparent and equitable way. Areas of research excellence to be supported by the facility include but are not limited to: research in computational physics, computational chemistry, geophysics, computational fluid dynamics, oil and water resource modelling, plant science, bio-informatics, space-environment research, and high-performance, parallel, and grid-based computing.Read moreRead less
Switchable and stereocontrolled photoredox catalysis. This project aims to develop new catalytic synthetic reactions for the rapid and more direct functionalisation of organic compounds under mild conditions with the use of visible light. An integrated experimental and computational approach will be used to design potent visible-light photocatalysts that retain the advantages of standard photoredox catalysis but with the added ability to intercept and, thus control, reactive intermediates in sit ....Switchable and stereocontrolled photoredox catalysis. This project aims to develop new catalytic synthetic reactions for the rapid and more direct functionalisation of organic compounds under mild conditions with the use of visible light. An integrated experimental and computational approach will be used to design potent visible-light photocatalysts that retain the advantages of standard photoredox catalysis but with the added ability to intercept and, thus control, reactive intermediates in situ. This will enable the control of stereochemistry in photoredox reactions – not possible with standard catalysts - and establish other useful synthetic transformations. These strategies will make it easier to prepare valuable classes of organic molecules – efficiently, safely, and cost-effectively.
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Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0668520
Funder
Australian Research Council
Funding Amount
$560,000.00
Summary
South Australian Supercluster Facility. This project will maintain and build on existing excellence and strength in areas ranging from computational chemistry, bioinformatics, and plant functional genomics through to water resources management, fluid dynamics and novel fibres and materials for photonics. It will enable the development of cutting edge computational tools and techniques and will maintain and grow strong international links. It will produce graduates of the highest quality able t ....South Australian Supercluster Facility. This project will maintain and build on existing excellence and strength in areas ranging from computational chemistry, bioinformatics, and plant functional genomics through to water resources management, fluid dynamics and novel fibres and materials for photonics. It will enable the development of cutting edge computational tools and techniques and will maintain and grow strong international links. It will produce graduates of the highest quality able to use advanced computing to solve real-world problems. The training provided and the tools and techniques developed will bring major economic benefits and provide excellent links to Australian industry.Read moreRead less
Electronic and Optical Properties of Doped Titanium Dioxide. Titanium dioxide, is widely used as a white pigment, owing to its high refractive index, second, only after diamond. Yellowing of rutile pigment particles, observed on prolonged exposure to sunlight, is a serious problem that pigment manufacturers would like to overcome. It is proposed that aluminium-doping of rutile limits this discolouration by altering the electronic structure of the rutile particles. This project seeks to identify ....Electronic and Optical Properties of Doped Titanium Dioxide. Titanium dioxide, is widely used as a white pigment, owing to its high refractive index, second, only after diamond. Yellowing of rutile pigment particles, observed on prolonged exposure to sunlight, is a serious problem that pigment manufacturers would like to overcome. It is proposed that aluminium-doping of rutile limits this discolouration by altering the electronic structure of the rutile particles. This project seeks to identify the specific electronic cause of the yellowing process, the nature of the Al defect,it's effect on the electronic structure of rutile, and the electronic perturbations that may occur when other dopants are used.Read moreRead less
Response of Proteins to External Non-Ionising Radiation: an Experimental and Computer Modelling Investigation. The expanding use of digital technologies such as mobile phones has led to major health concerns about the effects of non-ionising pulsed radiation exposure which has been shown to produce instantaneous temperature rises undetectable by normal thermometry. The health implications of exposure are not understandable without establishing molecular mechanisms by which pulsed microwaves can ....Response of Proteins to External Non-Ionising Radiation: an Experimental and Computer Modelling Investigation. The expanding use of digital technologies such as mobile phones has led to major health concerns about the effects of non-ionising pulsed radiation exposure which has been shown to produce instantaneous temperature rises undetectable by normal thermometry. The health implications of exposure are not understandable without establishing molecular mechanisms by which pulsed microwaves can cause biological effects. We aim to establish methods for studying the molecular mechanisms of protein structural and energetic changes occurring due to non-ionising radiation. The results will help our industry partner to design specific drugs as well as formulate a scientifically based standard for microwave utilisation.Read moreRead less
Synthetic and theoretical studies of metal complexes containing carbon-rich ligands. Previous studies in my group, in conjunction with synthetic and theoretical chemistry groups at the Université de Rennes 1, France, have delineated the properties of a series of complexes containing carbon chains linking two metal centres. Having achieved a partial understanding of the features which result in good electronic communication between the metal centres via the carbon chain, the present proposal see ....Synthetic and theoretical studies of metal complexes containing carbon-rich ligands. Previous studies in my group, in conjunction with synthetic and theoretical chemistry groups at the Université de Rennes 1, France, have delineated the properties of a series of complexes containing carbon chains linking two metal centres. Having achieved a partial understanding of the features which result in good electronic communication between the metal centres via the carbon chain, the present proposal seeks to extend this collaboration to further studies which will generate related compounds in which actual eletron exchange can occur, i.e. leading to oxidation/reduction, by using compounds in which two or more different metal centres are present. This may lead to development of nano devices, e.g. molecular-scale switches. If one of the centres is activated by light, a photo-active sensor may result.Read moreRead less
Negative ion mass spectrometry: fundamental studies and applied applications. We seek to:
(i) establish negative ion mass spectrometry as an analytical tool for the sequencing of proteins and to probe the structures of active peptide Ca2+ calmodulin complexes which, for example, inhibit the formation of NO from nitric oxide synthases. Controlling the concentration of nitric oxide may assist with the treatment of inflammatory and cardiac diseases, stroke and diseases of the central nervous syst ....Negative ion mass spectrometry: fundamental studies and applied applications. We seek to:
(i) establish negative ion mass spectrometry as an analytical tool for the sequencing of proteins and to probe the structures of active peptide Ca2+ calmodulin complexes which, for example, inhibit the formation of NO from nitric oxide synthases. Controlling the concentration of nitric oxide may assist with the treatment of inflammatory and cardiac diseases, stroke and diseases of the central nervous system.
(ii) to study the possibility of the formation of biological molecules of life in interstellar regions
(iii) to train graduate students to international standards in the chemistry of proteomics.Read moreRead less
Unravelling the dominant drivers of ion specificity. This project aims to understand what governs the sensitivity of many technological and biological processes to the precise nature of the salt present in solution. The term ‘ion-specific’ encompasses all the circumstances in which the influence of a salt in solution depends on the precise chemical nature of the salt, not just the electrical charge on the ions that form the salt. As such, ion-specific effects abound and have important consequenc ....Unravelling the dominant drivers of ion specificity. This project aims to understand what governs the sensitivity of many technological and biological processes to the precise nature of the salt present in solution. The term ‘ion-specific’ encompasses all the circumstances in which the influence of a salt in solution depends on the precise chemical nature of the salt, not just the electrical charge on the ions that form the salt. As such, ion-specific effects abound and have important consequences in most situations involving solutions, including cellular functions and battery technology. This project will enable us to understand and control the influence of specific ions, building on our recently described fundamental ion-specific series with colloid science experiments and quantum simulations. This project should overcome current challenges in predicting ion-specific effects leading to progress in a wide variety of applications of colloid and interface science, from sensor interfaces to self-assembly.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0237958
Funder
Australian Research Council
Funding Amount
$133,000.00
Summary
An enclosive flow Cooling cell for spectroscopic studies. We wish to install a low temperature absorption cell that will be coupled to high resolution spectrometer systems operating in the infrared, visible and ultra-violet regions of the spectrum. This will enable us to further develop techniques for the study of the structures, dynamics and kinetics of molecules of biological and atmospheric significance. This will lead to a better understanding of the structures, dynamics and reaction kinetic ....An enclosive flow Cooling cell for spectroscopic studies. We wish to install a low temperature absorption cell that will be coupled to high resolution spectrometer systems operating in the infrared, visible and ultra-violet regions of the spectrum. This will enable us to further develop techniques for the study of the structures, dynamics and kinetics of molecules of biological and atmospheric significance. This will lead to a better understanding of the structures, dynamics and reaction kinetics of these species and in the case of atmospheric species also provide molecular parameters required for atmospheric monitoring.Read moreRead less
The formation of negative ions and neutrals in the gas phase. Structure, reactivity and mechanism. Mass spectrometry is an analytical technique used to provide information concerning the structure of a chemical compound: it is particularly useful when dealing with small amounts of biologically important molecules. It is also a facility in which charged species can be converted into transient neutrals. This project will (i) produce information about negative ion fragmentations in order to extend ....The formation of negative ions and neutrals in the gas phase. Structure, reactivity and mechanism. Mass spectrometry is an analytical technique used to provide information concerning the structure of a chemical compound: it is particularly useful when dealing with small amounts of biologically important molecules. It is also a facility in which charged species can be converted into transient neutrals. This project will (i) produce information about negative ion fragmentations in order to extend the applicability of analytical negative-ion mass spectrometry, (ii) form neutral molecules and related species which are found in stellar dust clouds and investigate their chemistry, and (iii) train graduates in ion chemistry to the highest international standards.Read moreRead less