Next generation high throughput lipidomics using adaptive modelling. This project aims to develop a unique high-throughput method to capture the lipidomic profile of human plasma suitable for large human population screening. Lipids are fundamental to every biological system, but our understanding of their regulation in humans have been largely superficial. By incorporating a new lipidomics approach, with genomic data, this project aims to expand our understanding of human biology by identifying ....Next generation high throughput lipidomics using adaptive modelling. This project aims to develop a unique high-throughput method to capture the lipidomic profile of human plasma suitable for large human population screening. Lipids are fundamental to every biological system, but our understanding of their regulation in humans have been largely superficial. By incorporating a new lipidomics approach, with genomic data, this project aims to expand our understanding of human biology by identifying regulators of lipid metabolism. The large diversity in humans necessitate sufficient sample sizes to identify true genetic regulators, but to date techniques capturing phenotypic data (lipids) have been largely limited. It is anticipated that this study will identify new regulators of lipid metabolism in humans.Read moreRead less
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
Why is the photosynthetic CO2-fixing enzyme, Rubisco, so inefficient? Dissection of the catalytic chemistry by computational simulation and experimental testing. Fixation of CO2 by the enzyme Rubisco during photosynthesis produces organic compounds which feed all life. Despite this critical role, Rubisco catalyses its reaction sluggishly and, worse, discriminates poorly between CO2 and O2, leading to useless products. Our combined expertise equips us to analyse Rubisco's mechanism using quantum- ....Why is the photosynthetic CO2-fixing enzyme, Rubisco, so inefficient? Dissection of the catalytic chemistry by computational simulation and experimental testing. Fixation of CO2 by the enzyme Rubisco during photosynthesis produces organic compounds which feed all life. Despite this critical role, Rubisco catalyses its reaction sluggishly and, worse, discriminates poorly between CO2 and O2, leading to useless products. Our combined expertise equips us to analyse Rubisco's mechanism using quantum-chemical methods and then test predictions experimentally. We will capitalise on our previous successful studies of Rubisco by addressing emergent issues which are the keys to understanding catalytic efficiency and CO2/O2 selectivity: the roles of a carbamylated lysine; the way CO2 addition is rendered irreversible; and the spin inversion inherent in O2 addition.Read moreRead less
Horizontal convection at ocean-relevant proportions. This project aims to determine the role of buoyancy differences from solar radiation and vertical confinement. Flows created by lateral variation in heat or buoyancy are poorly understood when the horizontal length greatly exceeds the height, precisely the conditions relevant to industry and understanding the role of horizontal convection in Earth's oceans and in turn the delicate current system that maintains Earth's temperate climate. This p ....Horizontal convection at ocean-relevant proportions. This project aims to determine the role of buoyancy differences from solar radiation and vertical confinement. Flows created by lateral variation in heat or buoyancy are poorly understood when the horizontal length greatly exceeds the height, precisely the conditions relevant to industry and understanding the role of horizontal convection in Earth's oceans and in turn the delicate current system that maintains Earth's temperate climate. This project proposes computational and experimental efforts to probe the ultimate regime of heat transport in very shallow horizontal convection, benefiting humankind through improvements to future ocean and climate modelling efforts.Read moreRead less
The elusive upper bound of heat transfer in horizontal convection. The question as to whether lateral variation in global ocean buoyancy resulting from low solar radiation near the poles and higher temperatures in the tropical regions (known as horizontal convection) is a driver for global ocean currents is critical to our understanding of this complex and delicate system that maintains Earth's temperate climate. This question hinges on the relationship between heat transport and strength of buo ....The elusive upper bound of heat transfer in horizontal convection. The question as to whether lateral variation in global ocean buoyancy resulting from low solar radiation near the poles and higher temperatures in the tropical regions (known as horizontal convection) is a driver for global ocean currents is critical to our understanding of this complex and delicate system that maintains Earth's temperate climate. This question hinges on the relationship between heat transport and strength of buoyancy forcing towards global scales; this project proposes a landmark experimental effort supported by detailed simulations to probe the ultimate regime of heat transport in horizontal convection. The project is expected to inform the direction of future ocean and climate modelling efforts to the benefit of humanity.Read moreRead less
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
Gravity Current Driven Smoke Dispersion In a Stratified Ambient. Smoke from bushfires transported by gravity currents, and known to occur nationwide, caused the shutdown of businesses, education and events in Canberra in 2019. Recent scientific investigations have shown that the speed of propagation and concentration of smoke in these three-dimensional gravity currents have a long term ‘memory’ of their initial configuration. In this project, high-fidelity computational and experimental techniq ....Gravity Current Driven Smoke Dispersion In a Stratified Ambient. Smoke from bushfires transported by gravity currents, and known to occur nationwide, caused the shutdown of businesses, education and events in Canberra in 2019. Recent scientific investigations have shown that the speed of propagation and concentration of smoke in these three-dimensional gravity currents have a long term ‘memory’ of their initial configuration. In this project, high-fidelity computational and experimental techniques will be used to elucidate the fundamental mechanisms of gravity current entrainment and propagation. This knowledge will set a strong foundation to improve operational forecasts of smoke transport that will allow government agencies to better respond to the negative impact of these complicated flows.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