Computational Nanofluidics. This project will generate an increased level of skill and expertise in Australia in the emerging science of nanotechnology. To realise the promise of nanotechnology, a means of controlled propulsion on the nano scale is vital. A deeper understanding of nanofluidics that allows greater predictive capacities can greatly aid this realisation. It is highly likely that computational nanofluidics will play as important a role in nanotechnology based industries as computat ....Computational Nanofluidics. This project will generate an increased level of skill and expertise in Australia in the emerging science of nanotechnology. To realise the promise of nanotechnology, a means of controlled propulsion on the nano scale is vital. A deeper understanding of nanofluidics that allows greater predictive capacities can greatly aid this realisation. It is highly likely that computational nanofluidics will play as important a role in nanotechnology based industries as computational fluid dynamics (CFD) currently plays in today's manufacturing, automotive and aerospace industries. The skills and knowledge gained from this project will enhance our international competitiveness in this area. Read moreRead less
Discovery Early Career Researcher Award - Grant ID: DE230100138
Funder
Australian Research Council
Funding Amount
$419,804.00
Summary
Developing Switchable Ligands to Control Gold Nanocluster Interfaces. This project aims to unlock the promising catalytic activity of protected gold nanoclusters by developing switchable ligands capable of undergoing controlled detachment and exchange. This project expects to provide a detailed understanding of how the gold thiolate interface of nanoclusters influences their physical and chemical properties. Expected outcomes include the design of improved catalysts for chemical synthesis and bi ....Developing Switchable Ligands to Control Gold Nanocluster Interfaces. This project aims to unlock the promising catalytic activity of protected gold nanoclusters by developing switchable ligands capable of undergoing controlled detachment and exchange. This project expects to provide a detailed understanding of how the gold thiolate interface of nanoclusters influences their physical and chemical properties. Expected outcomes include the design of improved catalysts for chemical synthesis and biological assays using computer aided chemical modelling. These catalysts should be easier to recover after use, which should improve cost-effectiveness. They should also improve the accuracy of biological sensors, which could ultimately be used for the rapid and early detection of diseases.Read moreRead less
Accurate quantum modeling of the van der Waals interaction and its application to molecular physisorption onto surfaces. Developing zero emission clean fuel technology for transportation and developing sensitive diagnostic markers for medical diagnosis will clearly benefit Australia. In both cases large technological challenges need to be overcome. This investigation will provide theoretical insight and understanding into the molecular processes which underpin these highly desirable technologies ....Accurate quantum modeling of the van der Waals interaction and its application to molecular physisorption onto surfaces. Developing zero emission clean fuel technology for transportation and developing sensitive diagnostic markers for medical diagnosis will clearly benefit Australia. In both cases large technological challenges need to be overcome. This investigation will provide theoretical insight and understanding into the molecular processes which underpin these highly desirable technologies and aid scientists and engineers in their development. A further, more general, outcome will be an accurate and predictive methodology for investigating nanotechnology problems in any material where molecular physisorption is an important process.Read moreRead less
Fundamental Theoretical Study of Hydrogen Interactions with Novel Nanostructures. While governments around the world are planning to implement a hydrogen-based energy economy in the next several decades, the delivery of practical hydrogen energy technology has proven elusive to date, with major developments required in the production, storage and transport of hydrogen. This research will undertake to provide one key step in the development of safe and efficient hydrogen storage, namely a fundam ....Fundamental Theoretical Study of Hydrogen Interactions with Novel Nanostructures. While governments around the world are planning to implement a hydrogen-based energy economy in the next several decades, the delivery of practical hydrogen energy technology has proven elusive to date, with major developments required in the production, storage and transport of hydrogen. This research will undertake to provide one key step in the development of safe and efficient hydrogen storage, namely a fundamental study delivering basic knowledge of hydrogen interactions with nano-structured materials constructed from inexpensive light metals such as Aluminium.Read moreRead less
Understanding and controlling the processes underlying self assembly of nanostructures on surfaces. Efficient clean fuel technology, new classes of nano- and bio-materials, bio specific drug delivery systems, efficient environmental remediation technologies, advanced catalytic applications, namely every area of technology would benefit from the ability to control self-assembly of matter at the atomic level during fabrication of nanodevices. This proposal seeks to understand the processes driving ....Understanding and controlling the processes underlying self assembly of nanostructures on surfaces. Efficient clean fuel technology, new classes of nano- and bio-materials, bio specific drug delivery systems, efficient environmental remediation technologies, advanced catalytic applications, namely every area of technology would benefit from the ability to control self-assembly of matter at the atomic level during fabrication of nanodevices. This proposal seeks to understand the processes driving self-assembly of nanomaterials and how to control these processes.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
Simulation, Modelling, Prediction and Two-Dimensional Retention Database Development in Comprehensive Two-Dimensional Gas Chromatography (GC×GC). Quality of life is enhanced by the application of chromatography to many aspects of living. It is an existing technology made more powerful when used as comprehensive two-dimensional gas chromatography (GC×GC), an advanced form of GC. This project will apply new interpretation strategies to GC×GC to improve precise chemical analysis in many areas inclu ....Simulation, Modelling, Prediction and Two-Dimensional Retention Database Development in Comprehensive Two-Dimensional Gas Chromatography (GC×GC). Quality of life is enhanced by the application of chromatography to many aspects of living. It is an existing technology made more powerful when used as comprehensive two-dimensional gas chromatography (GC×GC), an advanced form of GC. This project will apply new interpretation strategies to GC×GC to improve precise chemical analysis in many areas including: measurement of 'good fats' in foods, sources of illicit drugs, allergens in perfumes, disease profiling through metabolite monitoring and the detection of performance enhancing drugs in sport. Based on this research, the science of chromatography will be advanced in Australia and throughout the world, using Australian technology and expertise.Read moreRead less
Protein self-assembly on surfaces, interfaces and nanoparticles. Surfaces such as those presented by an air-liquid interface or air-borne nanoparticles exert significant effects on protein aggregation in biological environments. We will develop a comprehensive theoretical and experimental approach to study the effects of such surfaces on the self assembly of proteins leading to disease causing amyloid fibrils. This will provide a molecular level understanding of protein self-association and a ....Protein self-assembly on surfaces, interfaces and nanoparticles. Surfaces such as those presented by an air-liquid interface or air-borne nanoparticles exert significant effects on protein aggregation in biological environments. We will develop a comprehensive theoretical and experimental approach to study the effects of such surfaces on the self assembly of proteins leading to disease causing amyloid fibrils. This will provide a molecular level understanding of protein self-association and a rational basis for the design of inhibitors to stop protein aggregation. The work will also establish design principles for new nanomaterials via the controlled self assembly of proteins on surfaces.Read moreRead less
To identify and to understand highly reactive surfaces for solar hydrogen production. This project aims to develop advanced technology to produce hydrogen - carbon-free fuel - from water with sunlight as the only energy input. Using clean energy to replace fossil fuels can help address the issues of energy supply and reduce carbon emissions, which is critically important for a sustainable Australia.
Understanding and predicting small molecule binding to G protein-coupled receptors (GPCRs). The discovery of new treatments for serious diseases is a time consuming and expensive process. Our work involves developing and testing new computational modelling approaches with experimental validation for the understanding and prediction of how current and new drugs interact with their targets, and these methods can be extended for improved understanding of how other proteins work. Our approaches have ....Understanding and predicting small molecule binding to G protein-coupled receptors (GPCRs). The discovery of new treatments for serious diseases is a time consuming and expensive process. Our work involves developing and testing new computational modelling approaches with experimental validation for the understanding and prediction of how current and new drugs interact with their targets, and these methods can be extended for improved understanding of how other proteins work. Our approaches have the potential to increase the speed, reduce the cost and lead to the discovery of new treatments for serious crippling diseases such as anxiety, depression, diabetes, and obesity. Read moreRead less