Photodissociation Dynamics of Radicals and Molecules. Photodissociation dynamics involves studying fundamental chemical processes that underpin all chemical reactivity. We address three of the important unanswered questions in this field: i) how do the lessons learned from small molecules transfer to larger molecules? ii) can one control chemical reactivity by selecting specific states of the reactant?; and iii) are the dynamics of radicals fundamentally different to stable molecules? We wi ....Photodissociation Dynamics of Radicals and Molecules. Photodissociation dynamics involves studying fundamental chemical processes that underpin all chemical reactivity. We address three of the important unanswered questions in this field: i) how do the lessons learned from small molecules transfer to larger molecules? ii) can one control chemical reactivity by selecting specific states of the reactant?; and iii) are the dynamics of radicals fundamentally different to stable molecules? We will combine expertise in large molecule spectroscopy and photodissociation dynamics with technology in radical production to provide insight into these fundamental questions. Photodissociation dynamics is firmly embedded in photon science and technology.Read moreRead less
Molecular Probes for Bio-Metals. The nutrient trace metals are essential to life. Problems with the metabolism of iron, copper and zinc are associated with neuro-degenerative diseases such as Alzheimer's, Parkinson's and CJD (Creutzfeldt-Jakob disease). This proposal will develop molecular probes for detection of iron, zinc, copper, manganese and nickel within biological cells. The work will allow examination of the molecular roles of these bio-metals in unprecedented detail and lead to a bette ....Molecular Probes for Bio-Metals. The nutrient trace metals are essential to life. Problems with the metabolism of iron, copper and zinc are associated with neuro-degenerative diseases such as Alzheimer's, Parkinson's and CJD (Creutzfeldt-Jakob disease). This proposal will develop molecular probes for detection of iron, zinc, copper, manganese and nickel within biological cells. The work will allow examination of the molecular roles of these bio-metals in unprecedented detail and lead to a better understanding of their roles in normal metabolism and in disease.Read moreRead less
Investigation and Prediction of the Novel Properties of Dendrimers. Dendrimers are a new class of highly branched polymers, which have, until now, been difficult to characterise by conventional means. This project will develop and apply molecular simulation techniques to reveal the chemical and physical properties of dendrimers and their interactions with other molecules. These novel molecules potentially have beneficial applications to areas such as drug delivery and electronic materials. Th ....Investigation and Prediction of the Novel Properties of Dendrimers. Dendrimers are a new class of highly branched polymers, which have, until now, been difficult to characterise by conventional means. This project will develop and apply molecular simulation techniques to reveal the chemical and physical properties of dendrimers and their interactions with other molecules. These novel molecules potentially have beneficial applications to areas such as drug delivery and electronic materials. The outcome of this work will assist in the exploitation of this beneficial application and will provide the basis for efficient processing.Read moreRead less
The Geochemistry of Tellurium in Hydrothermal Environments and the Gold-Tellurium Association. Gold and base metal mining are some of Australia's principal export earners. Thus, improving the country's mining and geological exploration capabilities will be a considerable economic benefit to the whole community. The results of the project will yield information concerning how gold deposits form, improved techniques for gold exploration, and more environmentally friendly techniques for the process ....The Geochemistry of Tellurium in Hydrothermal Environments and the Gold-Tellurium Association. Gold and base metal mining are some of Australia's principal export earners. Thus, improving the country's mining and geological exploration capabilities will be a considerable economic benefit to the whole community. The results of the project will yield information concerning how gold deposits form, improved techniques for gold exploration, and more environmentally friendly techniques for the processing of gold-telluride ores. Read moreRead less
The geochemistry of trace elements with variable oxidation states. The understanding of many earth processes is based upon an interpretation of differences in the relative abundance and/or distribution of elements which occur in more than one oxidation state. However, the redox states that control the geochemical behaviour of an element in a melt are not necessarily retained on cooling. This work aims to determine the oxidation states of geologically important elements, in situ under magmatic ....The geochemistry of trace elements with variable oxidation states. The understanding of many earth processes is based upon an interpretation of differences in the relative abundance and/or distribution of elements which occur in more than one oxidation state. However, the redox states that control the geochemical behaviour of an element in a melt are not necessarily retained on cooling. This work aims to determine the oxidation states of geologically important elements, in situ under magmatic conditions, using XANES spectroscopy. The results will allow geological signatures to be correctly interpreted and allow models for topics ranging from ancient mantle temperatures to rates of melt migration to be better constrained.Read moreRead less
Energetics and dynamics of solvated biologically relevant molecules using liquid microjet and ion imaging technologies. The shape of many biomolecules in solution plays a critical role in determining their biological activity and function. It is known that the bonds that form between the biomolecules and the water solvent control this shape. However, very little is known about the strength and structure of these bonds at different sites around the biomolecule. Many experiments have informed u ....Energetics and dynamics of solvated biologically relevant molecules using liquid microjet and ion imaging technologies. The shape of many biomolecules in solution plays a critical role in determining their biological activity and function. It is known that the bonds that form between the biomolecules and the water solvent control this shape. However, very little is known about the strength and structure of these bonds at different sites around the biomolecule. Many experiments have informed us about the strength of the bonds, others have told us where the bonds occur. This project will provide both pieces of information for the first time, allowing us to better understand, and therefore control, biological function. This work will assist in the development of new biotechnology processes, especially in the emerging area of proteomics.Read moreRead less
Laser Spectroscopic Studies of Non-Covalent Solute-Solvent Interactions Involving Non-Volatile Biomolecules in the Gas Phase. Solute-solvent interactions play a critical role in determining whether or not many biomolecules display biological activity in solution. Making use of our novel liquid microjet injection technology, we will generate micro-solvated gas phase biomolecules by rapid laser desorption from the surface of a liquid jet (here, micro-solvation describes up to ~10 solvent molecule ....Laser Spectroscopic Studies of Non-Covalent Solute-Solvent Interactions Involving Non-Volatile Biomolecules in the Gas Phase. Solute-solvent interactions play a critical role in determining whether or not many biomolecules display biological activity in solution. Making use of our novel liquid microjet injection technology, we will generate micro-solvated gas phase biomolecules by rapid laser desorption from the surface of a liquid jet (here, micro-solvation describes up to ~10 solvent molecules attached to a solute). Following desorption, laser spectroscopy will be used to directly characterise the non-volatile biomolecular solute-solvent topography. This project will create a new application of laser science to study biophysical and biochemical processes that remain difficult, if not impossible, to explore using traditional techniques.Read moreRead less
The hydrothermal solubility of molybdenum: A LA-ICPMS study of synthetic and natural fluid inclusions. The solubility of molybdenum under magmatic-hydrothermal conditions is essentially unknown. This study will, for the first time, identify the fundamental controls on molybdenum solubility in porphyry systems. This information will provide geologists with basic information on the transport and deposition of this important ore metal. In an allied study, the ore metals; copper, gold and molybdenum ....The hydrothermal solubility of molybdenum: A LA-ICPMS study of synthetic and natural fluid inclusions. The solubility of molybdenum under magmatic-hydrothermal conditions is essentially unknown. This study will, for the first time, identify the fundamental controls on molybdenum solubility in porphyry systems. This information will provide geologists with basic information on the transport and deposition of this important ore metal. In an allied study, the ore metals; copper, gold and molybdenum, will be traced through the Kidston porphyry system, Queensland. This will clarify the processes that lead to ore deposition, which will ultimately allow geologists to more effectively explore for porphyry-type deposits, a major target for Australian mining companies in the Pacific region.Read moreRead less
Roaming around the Transition State: A New Mechanism of Chemical Reactions. Gas-phase reaction mechanisms are at the core of some of the most important problems facing Australia at present: atmospheric models for CO2 are central to climate change; models of isotope exchange are essential to learn about past climates from Antarctic ice cores; and models of combustion are used to optimise energy efficiency. The mechanisms used in these models rely on accurate chemistry. A newly discovered chemica ....Roaming around the Transition State: A New Mechanism of Chemical Reactions. Gas-phase reaction mechanisms are at the core of some of the most important problems facing Australia at present: atmospheric models for CO2 are central to climate change; models of isotope exchange are essential to learn about past climates from Antarctic ice cores; and models of combustion are used to optimise energy efficiency. The mechanisms used in these models rely on accurate chemistry. A newly discovered chemical mechanism has the potential to change many of the reactions that we currently use in these chemical models. This project will determine how important this new mechanism is, and what its impact is on gas-phase reaction models.Read moreRead less
Relative free energies from nonequilibrium simulations: algorithms for determination of binding affinities, conformational states and phase transitions. Leading edge research will enable state of the art techniques in statistical mechanics to be applied to practical problems. All processes in biological, chemical and physical systems are governed by their free energy landscape, often only accessible computationally. This project will lead to an advanced tool for free energy calculation. Advanc ....Relative free energies from nonequilibrium simulations: algorithms for determination of binding affinities, conformational states and phase transitions. Leading edge research will enable state of the art techniques in statistical mechanics to be applied to practical problems. All processes in biological, chemical and physical systems are governed by their free energy landscape, often only accessible computationally. This project will lead to an advanced tool for free energy calculation. Advancement of emerging technologies in nanoscience, porous materials, membrane transport and drug design will benefit from this capability. The project therefore addresses the Priority Goal 'Breakthrough science'. A PhD student and an Early Career Research will be trained in research, gaining a range of valuable skills in theory and simulation. Read moreRead less