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
Understanding dendrimer pharmaceuticals: The application of parallel computing to the investigation of dendrimer structure and activity. Dendrimers or starburst polymers are an important new class of synthetic material with physical and chemical properties that lie between those of small organic molecules and traditional linear polymers. One exciting area of application is the development of new dendrimer-based pharmaceuticals. This project aims to use computer-aided molecular modelling method ....Understanding dendrimer pharmaceuticals: The application of parallel computing to the investigation of dendrimer structure and activity. Dendrimers or starburst polymers are an important new class of synthetic material with physical and chemical properties that lie between those of small organic molecules and traditional linear polymers. One exciting area of application is the development of new dendrimer-based pharmaceuticals. This project aims to use computer-aided molecular modelling methods to investigate the three dimensional structure and dynamic behaviour of dendrimers. This will assist in the design of new compounds to target diseases such as secondary cancers, asthma and viral respiratory diseases.Read moreRead less
Environmental stability of nanoscale materials for catalysis and sensing. After two decades of research, the first wave of 'nanotechnology' consumer products are entering the market, and large quantities of nanoparticles (less than millionth of a centimetre in size) are now being produced annually. However, before any new product can be manufactured, we need to know how stable engineered nanomaterials are before we bring them into our home, or we find them (unintentionally) free in our waterways ....Environmental stability of nanoscale materials for catalysis and sensing. After two decades of research, the first wave of 'nanotechnology' consumer products are entering the market, and large quantities of nanoparticles (less than millionth of a centimetre in size) are now being produced annually. However, before any new product can be manufactured, we need to know how stable engineered nanomaterials are before we bring them into our home, or we find them (unintentionally) free in our waterways and other ecosystems. For the first time, this project uses high performance supercomputing and advanced theoretical modelling to predict the stability of nanomaterials under a wide range of environmental conditions, to help safe guard Australia from potential 'nano-hazards' associated with these tiny pieces of matter.Read moreRead less
Modern Low Oxidation State/Low Coordination Main Group Chemistry: A New Domain for Australian Science. The proposed research will benefit Australia by creating a knowledge base in an internationally important area of chemistry. This will be aided by the return to Australia of an international leader in the field. Through an integrated and interdisciplinary approach, the exploitation of technologies arising from the research program will be explored. In addition to the academic community, these ....Modern Low Oxidation State/Low Coordination Main Group Chemistry: A New Domain for Australian Science. The proposed research will benefit Australia by creating a knowledge base in an internationally important area of chemistry. This will be aided by the return to Australia of an international leader in the field. Through an integrated and interdisciplinary approach, the exploitation of technologies arising from the research program will be explored. In addition to the academic community, these technologies will benefit hi-tech industries including pharmaceutical and fine chemicals concerns which will gain from the use of the proposed group 13 heterocycles in organic synthesis. Moreover, industries reliant on polymer supports in catalytic process or opto-electronic polymers will profit from the various polymers derived from phosphaalkynes.Read moreRead less
Theoretical studies of molecular mechanisms of abnormal protein aggregation. Many proteins undergo conformational change and association as part of their physiological behavior. However, some proteins share a tendency to abnormal aggregation and form amyloid fibrils leading to disorders such as Alzheimer's and variant Creutzfeldt-Jacob diseases. Insulin, one such protein, has a high propensity to aggregate and form fibrils creating difficulties in preparation, storage and application. Using adva ....Theoretical studies of molecular mechanisms of abnormal protein aggregation. Many proteins undergo conformational change and association as part of their physiological behavior. However, some proteins share a tendency to abnormal aggregation and form amyloid fibrils leading to disorders such as Alzheimer's and variant Creutzfeldt-Jacob diseases. Insulin, one such protein, has a high propensity to aggregate and form fibrils creating difficulties in preparation, storage and application. Using advanced theoretical modelling techniques we will gain insight into the molecular mechanism of fibrillation by investigating the formation of insulin aggregates. An improved understanding of the essential mechanism of protein aggregation will allow the rational design of new drugs.Read moreRead less
Environmentally responsive clean coatings. Nature makes use of a range of fascinating surface properties, such as the leaves of the Lotus plant which stay clean even in dirty environments. In this project we will explore the molecular properties of novel polymer coated surfaces that-similar to some natural surfaces-can adapt to changing environmental stimuli and be resistant to contamination. Specifically, we aim to develop self-cleaning polymer coatings which can reversibly switch from wettab ....Environmentally responsive clean coatings. Nature makes use of a range of fascinating surface properties, such as the leaves of the Lotus plant which stay clean even in dirty environments. In this project we will explore the molecular properties of novel polymer coated surfaces that-similar to some natural surfaces-can adapt to changing environmental stimuli and be resistant to contamination. Specifically, we aim to develop self-cleaning polymer coatings which can reversibly switch from wettable to non-wettable with changing temperature and humidity. These self-cleaning polymer surfaces with environmentally responsive properties will add value to pre-painted steel products and other coatings.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0989506
Funder
Australian Research Council
Funding Amount
$500,000.00
Summary
A high performance computing cluster and storage for the INTERSECT Consortium of NSW. The installation of this new supercomputing facility is an important addition to the nation's foundation research infrastructure. Of particular importance to research groups in NSW is the much needed boost in computational research and research training capacity that it will provide, enabling world leading research teams to continue their ground breaking work in an increasingly competitive international enviro ....A high performance computing cluster and storage for the INTERSECT Consortium of NSW. The installation of this new supercomputing facility is an important addition to the nation's foundation research infrastructure. Of particular importance to research groups in NSW is the much needed boost in computational research and research training capacity that it will provide, enabling world leading research teams to continue their ground breaking work in an increasingly competitive international environment. Much of the research to be supported lies in areas of national priority, including frontier technologies and Australian environmental sustainability.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
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