New Methods in the Theory and Computational Modelling of Unimolecular and Complex-Forming Bimolecular Reactions. This project will develop new theory and computational methods for the prediction of chemical reaction rates with massively increased efficiency. Complex reactions occurring in combustion which are surprisingly common, but have previously been only poorly understood. The project will make possible the application of detailed statistical and quantum dynamical theories to such complex r ....New Methods in the Theory and Computational Modelling of Unimolecular and Complex-Forming Bimolecular Reactions. This project will develop new theory and computational methods for the prediction of chemical reaction rates with massively increased efficiency. Complex reactions occurring in combustion which are surprisingly common, but have previously been only poorly understood. The project will make possible the application of detailed statistical and quantum dynamical theories to such complex reactions in order to improve the quality of chemical data which is used for modelling atmospheric change and pollution.
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Predicting Environmental Effects on Structure and Reactivity. This project tackles one of the most important and fundamental problems in theoretical chemistry: solvent effects on chemical reactions. The new methods and computer programs generated will be freely available to the Australian (and international) scientific communitities and will further enhance Australia's strong reputation in Theoretical Chemistry.
The applications chosen will allow new technologies in biosensing and strategies in ....Predicting Environmental Effects on Structure and Reactivity. This project tackles one of the most important and fundamental problems in theoretical chemistry: solvent effects on chemical reactions. The new methods and computer programs generated will be freely available to the Australian (and international) scientific communitities and will further enhance Australia's strong reputation in Theoretical Chemistry.
The applications chosen will allow new technologies in biosensing and strategies in computational drug design to be investigated. This will benefit the Australian biotechnology and pharmaceutical industries and may substantially aid in understanding the mechanism and treatment of disease. Read moreRead less
Electric field induced surface attachment and detachment of proteins. Microarrays are revolutionising the diagnosis of disease by enabling large amounts of data on genetics and protein expression to be obtained from one sample. Biosensors for diseases and toxins rely on the same mechanism, namely attachment of biological macromolecules to a surface. We propose a new method for controlling the attachment by micromachining an electrode system to apply an electric field to chosen sites. Ultimately ....Electric field induced surface attachment and detachment of proteins. Microarrays are revolutionising the diagnosis of disease by enabling large amounts of data on genetics and protein expression to be obtained from one sample. Biosensors for diseases and toxins rely on the same mechanism, namely attachment of biological macromolecules to a surface. We propose a new method for controlling the attachment by micromachining an electrode system to apply an electric field to chosen sites. Ultimately microelectronic engineering methods will be used. This will give control over the attachment process with potential benefits of orienting attaching molecules, minimising non-specific attachment and enriching diagnostics by enabling interrogation of the force of attachment.Read moreRead less
The First Polynesians: Their Origins, Lifeways and Environmental Challenges. This project uses an interdisciplinary approach to examine the biological, cultural and environmental factors underpinning the Polynesian people through a study of their ancient homeland in Tonga. Early Polynesian society developed 2650-2350 years ago, but little is known about the people, their culture and how sea-level fall impacted subsistence and settlement. The proposed study’s goal is to fill this gap in human kno ....The First Polynesians: Their Origins, Lifeways and Environmental Challenges. This project uses an interdisciplinary approach to examine the biological, cultural and environmental factors underpinning the Polynesian people through a study of their ancient homeland in Tonga. Early Polynesian society developed 2650-2350 years ago, but little is known about the people, their culture and how sea-level fall impacted subsistence and settlement. The proposed study’s goal is to fill this gap in human knowledge about our Pacific neighbours using a unique skeletal assemblage, excavated cultural remains and advanced mapping of palaeo-sea-level markers that will improve understanding of the impact of environmental change on human societies in our region.Read moreRead less
Function, Mechanism and Dynamics in Fluorescent Proteins: a Computational Investigation. The rich reservoir of chromoproteins and fluorescent proteins in the ecosystem of the Great Barrier Reef offers Australia a unique natural advantage for the development of a niche biotechnology industry based on fluorescent markers for cellular biology and biomedical imaging. This project provides a crucial component of the science that is necessary for developing such an industry: a molecular-level knowledg ....Function, Mechanism and Dynamics in Fluorescent Proteins: a Computational Investigation. The rich reservoir of chromoproteins and fluorescent proteins in the ecosystem of the Great Barrier Reef offers Australia a unique natural advantage for the development of a niche biotechnology industry based on fluorescent markers for cellular biology and biomedical imaging. This project provides a crucial component of the science that is necessary for developing such an industry: a molecular-level knowledge of how these proteins function and how we can manipulate and enhance their properties as imaging agents. It will achieve fundamental advances in biomolecular modelling techniques, train graduates with exceedingly valuable skill sets as well as deriving knowledge that aids the development of Australia's biotech industries.Read moreRead less
The energetics and dynamics of chemical reactions of polyatomic molecules involving multiple electronic states. This project will produce, from first principles, the first quantitatively accurate computer simulations of chemical reactions which involve several atoms and multiple electronic states. Many of the most important chemical reactions in the atmosphere (and elsewhere) involve changing both the shape of the molecules and their electronic structure. Many of these reactions are difficult to ....The energetics and dynamics of chemical reactions of polyatomic molecules involving multiple electronic states. This project will produce, from first principles, the first quantitatively accurate computer simulations of chemical reactions which involve several atoms and multiple electronic states. Many of the most important chemical reactions in the atmosphere (and elsewhere) involve changing both the shape of the molecules and their electronic structure. Many of these reactions are difficult to study in the laboratory, and consequently computer simulation is an essential component of the study of such reactions. U nderstanding how these reactions occur, and how fast they proceed, are important to our understanding of the dynamics of the atmosphere and other large scale reactors.Read moreRead less
Quantum Unimolecular Reaction Dynamics: from Isolated Molecules to Protein-Embedded Chromophores. The outcomes of this research will (a) enhance the reputation of Australian science internationally,(b) develop highly skilled research personnel with core capabilities in computational chemistry who can contribute to Australian industry, (c) lead to more accurate modelling of atmospheric ozone depletion phenomena, and (d) improve our understanding of the most common cellular imaging tool - the Gree ....Quantum Unimolecular Reaction Dynamics: from Isolated Molecules to Protein-Embedded Chromophores. The outcomes of this research will (a) enhance the reputation of Australian science internationally,(b) develop highly skilled research personnel with core capabilities in computational chemistry who can contribute to Australian industry, (c) lead to more accurate modelling of atmospheric ozone depletion phenomena, and (d) improve our understanding of the most common cellular imaging tool - the Green Fluorescent Protein - with spinoff benefits for molecular biology research in Australia through the potential for design of new fluorescent proteins.Read moreRead less
Warfare and the Archaic State in Oceania. The project aim is to investigate warfare in the ancient Tongan state through a study of earthwork fortifications. The conflict record for an Archaic state in Oceania that survived for 650 years contributes a new perspective to global research on warfare in complex societies. The effect of conflict is a prominent issue for Australia and long-term records of warfare in our region will improve our understanding of it. Intra-state conflict is the most press ....Warfare and the Archaic State in Oceania. The project aim is to investigate warfare in the ancient Tongan state through a study of earthwork fortifications. The conflict record for an Archaic state in Oceania that survived for 650 years contributes a new perspective to global research on warfare in complex societies. The effect of conflict is a prominent issue for Australia and long-term records of warfare in our region will improve our understanding of it. Intra-state conflict is the most pressing threat to political stability in South-East Asia and the Pacific and the project would benefit Australia by showing how changes to political systems are associated with phases of conflict and peace.Read moreRead less
Before, during and after Lapita: 5000 years of cultural continuity and transformation at Caution Bay, southern Papua New Guinea. Australia's closest Indigenous neighbours in southern Papua New Guinea have long been thought to have been in contact with long-distance seafarers only in the last 2000 years. This project will document recent archaeological findings that are causing a radical rethink of ancestral connections between Australia and southern Papua New Guinea.
Advancing the theoretical bases of supply chain management through the lens of relational exchange theory. This project will explain and predict the behaviour of supply chain members better than current theories do. An integrated theory of supply chain management will be developed and tested empirically. This theory will enable better understanding of how supply chains function and guide actions of managers so that the expected benefits are realised.