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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
Better Batteries via Controlling the Properties of Electrolytic Manganese Dioxide. Physical properties of electrolytic manganese dioxide (EMD) such as crystal structure, morphology and electrochemical characteristics determine its usefulness in alkaline batteries. However, the relationship between these parameters is not well understood. This APAI project will attempt to address these shortcomings in the current understanding of the production process by focussing on the relationships between fu ....Better Batteries via Controlling the Properties of Electrolytic Manganese Dioxide. Physical properties of electrolytic manganese dioxide (EMD) such as crystal structure, morphology and electrochemical characteristics determine its usefulness in alkaline batteries. However, the relationship between these parameters is not well understood. This APAI project will attempt to address these shortcomings in the current understanding of the production process by focussing on the relationships between fundamental physical, chemical and electrochemical properties of EMD. The results will be of benefit in optimising the process and ensuring that EMD with superior performance can be consistently produced.Read moreRead less
Study of molecular interactions between wood pitch fixatives and components of wood pitch. Wood resins, released in pulping, agglomerate in the papermaking process to cause pitch deposits. These deposits adversely affect paper machine efficiency and product quality and limit further recycling of process water. This project aims to investigate the interactions between the components of the wood resins and different fixatives using capillary electrophoresis and other techniques. This knowledge w ....Study of molecular interactions between wood pitch fixatives and components of wood pitch. Wood resins, released in pulping, agglomerate in the papermaking process to cause pitch deposits. These deposits adversely affect paper machine efficiency and product quality and limit further recycling of process water. This project aims to investigate the interactions between the components of the wood resins and different fixatives using capillary electrophoresis and other techniques. This knowledge will provide a better understanding of the role of the physical and chemical properties of the fixatives in fixing the different compounds in wood resins. Molecular modelling will be used to design new fixatives that will be selective to a mixture of wood resins.
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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
Reduced water usage in the Australian pulp and paper industry through novel process chemistry. Norske Skog Paper Mill operates two paper mills on major rivers in Australia. For these mills to reduce water consumption greater recycling of the process water is needed which results in a build-up of detrimental substances that will affect paper machine performance and efficiency. The knowledge gained from this project will help the paper mills to find strategies to control the build-up of the detr ....Reduced water usage in the Australian pulp and paper industry through novel process chemistry. Norske Skog Paper Mill operates two paper mills on major rivers in Australia. For these mills to reduce water consumption greater recycling of the process water is needed which results in a build-up of detrimental substances that will affect paper machine performance and efficiency. The knowledge gained from this project will help the paper mills to find strategies to control the build-up of the detrimental material and deal with it in such a way that the process water can be recycled and the paper mills can reduce water consumption.Read moreRead less
The Development of Computer-Aided Molecular Modelling and Drug Design Techniques for Flexible Enzyme Targets - New Anti-HIV Agents. The dynamic motion of proteins upon binding of small molecules is crucial in many cases for the function of the protein or for the function of drugs acting upon the protein. Current methods in computer-aided design of small molecules binding to proteins do not take this protein flexibility fully into account. This project intends to develop molecular dynamics simula ....The Development of Computer-Aided Molecular Modelling and Drug Design Techniques for Flexible Enzyme Targets - New Anti-HIV Agents. The dynamic motion of proteins upon binding of small molecules is crucial in many cases for the function of the protein or for the function of drugs acting upon the protein. Current methods in computer-aided design of small molecules binding to proteins do not take this protein flexibility fully into account. This project intends to develop molecular dynamics simulation techniques for this purpose, initially using the HIV reverse transcriptase enzyme as the target protein. The methods developed will, however, be universally applicable. The project further aims to design, synthesise and test novel medicinal agents specifically against drug resistance in HIV.Read moreRead less
Colloid interactions and extraction in sustainable, water efficient paper manufacture. This project will investigate the causes of wood extractive deposits on modern high-speed printing surfaces. The project will also develop alternatives to prevent their deposition in an environmentally sustainable manner, and to remove them from the paper making process allowing their utilisation as valuable natural products.
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
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
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