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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
Fluctuations in the properties of nonequilibrium fluids and the influence of thermostatting mechanisms. The behaviour of nonequilibrium fluids will be studied by combining ideas from liquid state theory, statistical mechanics and dynamical systems theory. This work will result in development and testing of mathematical expressions (Fluctuation Theorems) that are consistent with the Second Law of Thermodynamics, which determines the direction of any change in any macroscopic system, but are also ....Fluctuations in the properties of nonequilibrium fluids and the influence of thermostatting mechanisms. The behaviour of nonequilibrium fluids will be studied by combining ideas from liquid state theory, statistical mechanics and dynamical systems theory. This work will result in development and testing of mathematical expressions (Fluctuation Theorems) that are consistent with the Second Law of Thermodynamics, which determines the direction of any change in any macroscopic system, but are also applicable to microscopic systems. The expressions will determine the probability that finite sized systems will violate the Second Law for small periods of time and will therefore contribute to development of a fundamental understanding of microscopic systems and the development of nanotechnology.
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Modelling of Adsorption Dynamics in Microporous Adsorbents Using Fractional Order Diffusion Equations. This project investigates the use of fractional order diffusion equations in modelling adsorption dynamics in microporous carbons. The long tail behaviour of adsorption processes cannot be readily explained by the classical second order Fickian model, and makes adsorption a candidate for the use of fractional order diffusion equations that have the potential to model such features. In the pre ....Modelling of Adsorption Dynamics in Microporous Adsorbents Using Fractional Order Diffusion Equations. This project investigates the use of fractional order diffusion equations in modelling adsorption dynamics in microporous carbons. The long tail behaviour of adsorption processes cannot be readily explained by the classical second order Fickian model, and makes adsorption a candidate for the use of fractional order diffusion equations that have the potential to model such features. In the present project we shall develop suitable numerical techniques for solving the fractional order diffusion model, and apply these to the interpretation of experimental kinetic data. The outcome will be an improved model of adsorption dynamics considering the fractal nature of the solid.Read moreRead less
Particle Design for Recovery and Delivery of Bioactives. This project will develop new strategies for economically viable recovery of bioactives from complex solutions, slurries and sludges of biomaterials eg. waste streams from milk and soy bean processing, and fermentation broths. These bioactives, often proteins, have growing applications as high value drugs, nutriceuticals and food additives but are difficult to separate and to maintain in an active form. Crystallisation will be used as a ....Particle Design for Recovery and Delivery of Bioactives. This project will develop new strategies for economically viable recovery of bioactives from complex solutions, slurries and sludges of biomaterials eg. waste streams from milk and soy bean processing, and fermentation broths. These bioactives, often proteins, have growing applications as high value drugs, nutriceuticals and food additives but are difficult to separate and to maintain in an active form. Crystallisation will be used as a primary separation technique. Molecular studies of protein interactions will be used to predict good crystallisation conditions and linked to process crystallisation studies. Both standard and novel particle design strategies will be used to control crystal size and morphology, as well as package the boactive in a deliverable form without loss of activity.Read moreRead less
Mechanistic Studies on Biologically Active Iron Chelators. The need for orally effective drugs as alternatives to invasive treatment regimens such as subcutaneous infusion is an ongoing concern in health care. This is particularly true in people suffering iron overload. In many cases this condition is present at birth and thus the administration of vital iron chelation therapy via the oral route is a much preferred option. We have unearthed a novel series of candidates for iron chelation therapy ....Mechanistic Studies on Biologically Active Iron Chelators. The need for orally effective drugs as alternatives to invasive treatment regimens such as subcutaneous infusion is an ongoing concern in health care. This is particularly true in people suffering iron overload. In many cases this condition is present at birth and thus the administration of vital iron chelation therapy via the oral route is a much preferred option. We have unearthed a novel series of candidates for iron chelation therapy (the pyridine-2-carboxaldehyde isonicotinoyl hydrazone [PCIH] analogues) which show oral activity. These chelators undergo some interesting iron catalysed oxidation chemistry and it is vital that the mechanism of this reaction be elucidated to determine whether it will be of biological significance upon administration of these compounds as iron chelators.Read moreRead less
Design and evaluation of new environmentally-benign herbicides that inhibit branched-chain amino acid biosynthesis. Herbicides interfere with processes that occur in plants, such as photosynthesis or the biosynthesis of certain amino acids. In this project we will focus on branched-chain amino acid biosynthesis, designing and evaluating inhibitors of the first two enzymes in this process. Based on their three dimensional structures we will develop an understanding of the molecular features that ....Design and evaluation of new environmentally-benign herbicides that inhibit branched-chain amino acid biosynthesis. Herbicides interfere with processes that occur in plants, such as photosynthesis or the biosynthesis of certain amino acids. In this project we will focus on branched-chain amino acid biosynthesis, designing and evaluating inhibitors of the first two enzymes in this process. Based on their three dimensional structures we will develop an understanding of the molecular features that contribute to a potent inhibitor and those that are required for it to be effective upon plants. Using this information we will design and synthesis new compounds as potential environmentally-benign herbicides.Read moreRead less
New Synthetic Routes to the Immobilisation of Mixed Valence Transition Metal Complexes on Conducting Metal Oxides. Highly coloured, electrochemically active transition metal dyes may find application electrochromic devices, where they may switch between contrasting coloured forms through a simple redox reaction. A prerequisite is that the dye be immobilised onto a solid conducting support whilst preserving the electrochemical and optical properties of the dye found in solution. This project tack ....New Synthetic Routes to the Immobilisation of Mixed Valence Transition Metal Complexes on Conducting Metal Oxides. Highly coloured, electrochemically active transition metal dyes may find application electrochromic devices, where they may switch between contrasting coloured forms through a simple redox reaction. A prerequisite is that the dye be immobilised onto a solid conducting support whilst preserving the electrochemical and optical properties of the dye found in solution. This project tackles this problem through a combination of organic and inorganic synthesis to develop new electrochromic dyes that may be attached to mesoporous titania.Read moreRead less
Theoretical Study of Functionalized Boron Nitride Nanotubes and Their Application as Gas Sensor. The gas sensors to be studied in this project can be deployed for a variety of applications, such as environmental monitoring, sensing in chemical processing plant, and gas detection for counter-terrorism, this project thus can significantly contribute to environmental protection, national security, and agriculture and pharmaceutical industries in Australia. Such mechanism understanding will also be ....Theoretical Study of Functionalized Boron Nitride Nanotubes and Their Application as Gas Sensor. The gas sensors to be studied in this project can be deployed for a variety of applications, such as environmental monitoring, sensing in chemical processing plant, and gas detection for counter-terrorism, this project thus can significantly contribute to environmental protection, national security, and agriculture and pharmaceutical industries in Australia. Such mechanism understanding will also be very useful for exploring the applications of BNNTs in nano-optical-magnetic devices, energy storage and biomaterials This project will also be important for keeping Australia in the frontier area in the research areas of nanotubes.Read moreRead less
Development of Novel Detergents for Green Solvent Systems and Their Self-Assembly into Nanostructures. Successful outcomes from this collaborative project will lead to the development of new commercially viable green solvent systems for the chemical industry, e.g. dry cleaning. This has the potential to impact the community on the economic and environmental level, by significantly reducing the costs of current green solvent systems, resulting in greater likelihood of conventional toxic solvent ....Development of Novel Detergents for Green Solvent Systems and Their Self-Assembly into Nanostructures. Successful outcomes from this collaborative project will lead to the development of new commercially viable green solvent systems for the chemical industry, e.g. dry cleaning. This has the potential to impact the community on the economic and environmental level, by significantly reducing the costs of current green solvent systems, resulting in greater likelihood of conventional toxic solvents being replaced. The project will also expand the training of junior and early career scientists by allowing them to work in overseas laboratories.Read moreRead less
Increasing the Efficiency of Biomolecular Simulations. This program will extend the range of biomolecular systems that can be modelled with near atomistic precision. It will provide a better understanding of the structure and function of proteins involved in the regulation of membrane fusion and fission as well as shedding light on the assembly of large-scale protein-protein and protein-membrane complexes in general. The work will help place Australia at the forefront of developing simulation t ....Increasing the Efficiency of Biomolecular Simulations. This program will extend the range of biomolecular systems that can be modelled with near atomistic precision. It will provide a better understanding of the structure and function of proteins involved in the regulation of membrane fusion and fission as well as shedding light on the assembly of large-scale protein-protein and protein-membrane complexes in general. The work will help place Australia at the forefront of developing simulation techniques in biomolecular systems, which are widely used within the chemical and pharmaceutical industries. It will also provide opportunities for the training and development of young Australian researchers with top European laboratories. Read moreRead less