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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
Biomolecular chemical survival strategies of terrestrial extremophiles and the spectroscopic search for life on Mars. This project is aimed to place Australian research at the forefront of developments in the search for extraterrestrial life, the evolution of life on earth, and the design of new probes for the identification of microorganisms. The research will link key centres in Australia and the UK with international space agencies (NASA and the European Space Agency) in the search for cutti ....Biomolecular chemical survival strategies of terrestrial extremophiles and the spectroscopic search for life on Mars. This project is aimed to place Australian research at the forefront of developments in the search for extraterrestrial life, the evolution of life on earth, and the design of new probes for the identification of microorganisms. The research will link key centres in Australia and the UK with international space agencies (NASA and the European Space Agency) in the search for cutting edge techniques to be used in the search for extraterrestrial life forms and their links to paleo and extremophile life forms on Earth. Read moreRead less
Structure of Adsorbed Surfactant Layers at Ionic Liquid-Air Interfaces. The research conducted in the project will greatly enhance our understanding of the physical properties of ionic liquids, an important new class of designer solvents. Australian researchers will receive advanced training and experience using Sum Frequency Spectroscopy in the laboratory of OI Rutland, and in the use of Neutron Reflection. This project is especially timely with the imminent start-up of the new Australian resea ....Structure of Adsorbed Surfactant Layers at Ionic Liquid-Air Interfaces. The research conducted in the project will greatly enhance our understanding of the physical properties of ionic liquids, an important new class of designer solvents. Australian researchers will receive advanced training and experience using Sum Frequency Spectroscopy in the laboratory of OI Rutland, and in the use of Neutron Reflection. This project is especially timely with the imminent start-up of the new Australian research reactor, OPAL, and will help to seed an active program by Australian researchers at this facility.Read moreRead less
Improvement of critical current density in MgB2 wires and tapes and Y-Ba-Cu-O coated conductors. The technology of superconducting wires and tapes has emerged as one of the most important basic engineering technologies, which can create technical innovation and improvement in the quality of life in the fields of electric power, energy, machinery, transportation and the environment in the 21st century. The aim of the proposed program is to develop magnesium diboride superconductor and YBCO coated ....Improvement of critical current density in MgB2 wires and tapes and Y-Ba-Cu-O coated conductors. The technology of superconducting wires and tapes has emerged as one of the most important basic engineering technologies, which can create technical innovation and improvement in the quality of life in the fields of electric power, energy, machinery, transportation and the environment in the 21st century. The aim of the proposed program is to develop magnesium diboride superconductor and YBCO coated conductors by using novel nano-precursor powders. Superconducting tapes doped with nano-sized powders are expected to show enhancement in flux pinning properties. The expected outcome is the capability to produce a new generation of superconductors having high performance at low cost.Read moreRead less
Bimolecular chemistry at very low temperatures. Many chemical reactions involve short-lived and highly reactive intermediates that cannot be observed under ordinary reaction conditions. Hence, much of this chemistry is shrouded in mystery. This project aims to develop the ability to observe and monitor such reactions directly using a combination of spectroscopies at very low temperatures, where the molecules are more stable and reactions slower. These studies will give quantitative information ....Bimolecular chemistry at very low temperatures. Many chemical reactions involve short-lived and highly reactive intermediates that cannot be observed under ordinary reaction conditions. Hence, much of this chemistry is shrouded in mystery. This project aims to develop the ability to observe and monitor such reactions directly using a combination of spectroscopies at very low temperatures, where the molecules are more stable and reactions slower. These studies will give quantitative information on the nature of the reactive intermediates themselves, the nature of the products formed, and the reaction dynamics, and they are of fundamental importance for an understanding of chemical reactivity generally. The methodology developed will be applicable to the investigation of a wide range of processes.Read moreRead less
Advances in Theoretical Methodologies in Surface and Materials Science. This collaborative project is concerned with the review, development, and advancement of modern theoretical methodologies and approaches for the study and description of phenomena in materials and surface science. The particular focus is on first-principles-based schemes which combine accurate electronic structure calculations with more phenomenological, analytical, or statistical mechanical schemes in order to describe long ....Advances in Theoretical Methodologies in Surface and Materials Science. This collaborative project is concerned with the review, development, and advancement of modern theoretical methodologies and approaches for the study and description of phenomena in materials and surface science. The particular focus is on first-principles-based schemes which combine accurate electronic structure calculations with more phenomenological, analytical, or statistical mechanical schemes in order to describe long time and length scales, and/or to include thermodynamic effects. The theories will be applied to a range of surface and interface phenomenon, e.g., chemical reactions, quantum dots, crystal growth, as well as defects in solids, to demonstrate the power of such methods.Read moreRead less
A reliable physical model of molecular motion in crystals. The scientific benefits would flow, in the first instance, to the large national and international communities of scientists whose research makes use of the results of X-ray diffraction experiments. Applications of the research to amino acids and peptides will benefit investigations into the structure and molecular dynamics of biological systems, including proteins and enzymes. Studies of charge densities in crystals will obtain a standa ....A reliable physical model of molecular motion in crystals. The scientific benefits would flow, in the first instance, to the large national and international communities of scientists whose research makes use of the results of X-ray diffraction experiments. Applications of the research to amino acids and peptides will benefit investigations into the structure and molecular dynamics of biological systems, including proteins and enzymes. Studies of charge densities in crystals will obtain a standard tool for improved modelling of molecular motion, resulting in physically more realistic charge density functions, and hence greater insight into the relationship between properties of crystals and their constituent molecules.Read moreRead less
NMR Studies of Second Generation Polynuclear Platinum Compounds. Cancer affects one in four Australians and 50% of cancer patients are treated with cisplatin. BBR3464 is a new type of platinum anticancer drug that has shown promise in clinical trials, including results in cancers that do not respond to cisplatin treatment. Second-generation analogues, now under development, may offer significant advantages. This international collaboration between Prof. Berners-Price and the inventor of these ne ....NMR Studies of Second Generation Polynuclear Platinum Compounds. Cancer affects one in four Australians and 50% of cancer patients are treated with cisplatin. BBR3464 is a new type of platinum anticancer drug that has shown promise in clinical trials, including results in cancers that do not respond to cisplatin treatment. Second-generation analogues, now under development, may offer significant advantages. This international collaboration between Prof. Berners-Price and the inventor of these new drugs puts Australian research at the forefront of the clinical development. There is the potential for the generation of new IP from new strategies in the design of improved anticancer drugs. The project builds strong international links and provides international training for Australian PhD students.Read moreRead less
A rational approach to a high-resolution structure of the multidrug transporter EmrE. Membrane proteins form only 0.3% of the available protein structures in the protein data bank (PDB), yet 30% of the proteins in the human genome and 50% of human drug targets are membrane proteins. Multidrug transporters are membrane proteins responsible for antibiotic resistance in humans. A high-resolution structure of a multidrug resistance protein, together with comprehensive biochemical characterization, w ....A rational approach to a high-resolution structure of the multidrug transporter EmrE. Membrane proteins form only 0.3% of the available protein structures in the protein data bank (PDB), yet 30% of the proteins in the human genome and 50% of human drug targets are membrane proteins. Multidrug transporters are membrane proteins responsible for antibiotic resistance in humans. A high-resolution structure of a multidrug resistance protein, together with comprehensive biochemical characterization, would enable a detailed understanding of how these protein functions. Potentially it could also aid in the development of specific inhibitors that would prevent EmrE (and perhaps other similar proteins) from carry out its harmful mission. Read moreRead less
Cooperativity in Spin Crossover Systems: Memory, Magnetism and Microporosity. Spin-crossover centres are a well known form of inorganic electronic switch for which variation of temperature, pressure and irradiation leads to a change in d-electron configuration and therefore changes to structure, colour and magnetism. Here we aim to synthesise and study a wide variety of new spin-crossover systems where cooperativitiy between centres, induced by careful supramolecular design, will lead to molecul ....Cooperativity in Spin Crossover Systems: Memory, Magnetism and Microporosity. Spin-crossover centres are a well known form of inorganic electronic switch for which variation of temperature, pressure and irradiation leads to a change in d-electron configuration and therefore changes to structure, colour and magnetism. Here we aim to synthesise and study a wide variety of new spin-crossover systems where cooperativitiy between centres, induced by careful supramolecular design, will lead to molecules and materials having memory retention, magnetic ordering and/or microporosity. The significance of these aims covers several fundamental questions in the science of electronic systems. We also identify a number of potential nanochemical switching applications for the unique systems proposed.Read moreRead less