New Strategies for Modelling Polyoxometalates. Polyoxometalates are a versatile class of genuine nanomaterials with remarkable chemical and physical properties and dimensions ranging from tens to tens of thousands of atoms. Designing functional materials which exploit their enormous potential is limited by practical difficulties in their structural characterization and restrictions on our ability to model their behaviour. In this project, we will develop a new strategy for computer modelling of ....New Strategies for Modelling Polyoxometalates. Polyoxometalates are a versatile class of genuine nanomaterials with remarkable chemical and physical properties and dimensions ranging from tens to tens of thousands of atoms. Designing functional materials which exploit their enormous potential is limited by practical difficulties in their structural characterization and restrictions on our ability to model their behaviour. In this project, we will develop a new strategy for computer modelling of polyoxometalates based on the classical molecular mechanics approach and high-level techniques. This novel line of attack will be exploited in the characterization of large and highly substituted derivatives which are key to developing functional materials.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0346891
Funder
Australian Research Council
Funding Amount
$200,000.00
Summary
Characterization facilities for new macromolecular architectures. The proposed facility is essential for characterization of the new polymeric architectures such as copolymers for tissue engineering, nanogels for automotive paints and biodegradable polymeric packaging. The facilities include characterizations of (1) molar mass and molecular sizes of novel polymer architectures (MU); (2) viscoelastic mechanical properties of tensile, bending, bulk and flow (RMIT); and (3) thermal properties of c ....Characterization facilities for new macromolecular architectures. The proposed facility is essential for characterization of the new polymeric architectures such as copolymers for tissue engineering, nanogels for automotive paints and biodegradable polymeric packaging. The facilities include characterizations of (1) molar mass and molecular sizes of novel polymer architectures (MU); (2) viscoelastic mechanical properties of tensile, bending, bulk and flow (RMIT); and (3) thermal properties of compositions (CSIRO). These new polymeric architectures cannot be sufficiently characterized by existing facilities. The success of the project will significantly enhance the new macromolecular research and facilitate collaborations. This project also falls within the nano and biomaterials of the Designated Priority area of Research.Read moreRead less
Building advanced polymeric nanotubes for targeted drug delivery. Advanced drug delivery devices have major commercial applications in fighting diseases like cancer and infectious viruses. The success of this project will provide fundamental knowledge for the design of new drug delivery devices based on polymeric nanotubes. The project will also further advance Australia's nano- and bio-technological research and industries. This project will also provide additional benefit for developing contro ....Building advanced polymeric nanotubes for targeted drug delivery. Advanced drug delivery devices have major commercial applications in fighting diseases like cancer and infectious viruses. The success of this project will provide fundamental knowledge for the design of new drug delivery devices based on polymeric nanotubes. The project will also further advance Australia's nano- and bio-technological research and industries. This project will also provide additional benefit for developing controlled release systems in drug delivery and artificial vessels, and improve sensitivity in molecular sensors. The pioneering work proposed will ensure that Australia remains at the forefront of innovative scientific research within the rapidly advancing disciplines of nanotechnology and novel macromolecular design.Read moreRead less
Patterned assemblies of molecules on surfaces. Because of their redox and photophysical properties, artificial porphyrin systems have been designed for applications such as light-harvesting antennae, catalysts and sensors. Control of molecular orientation is required in order to construct practical devices, and in this project methods of assembling porphyrins on surfaces in well-defined patterns will be developed. Sophisticated methods will be used to characterise the films produced in these w ....Patterned assemblies of molecules on surfaces. Because of their redox and photophysical properties, artificial porphyrin systems have been designed for applications such as light-harvesting antennae, catalysts and sensors. Control of molecular orientation is required in order to construct practical devices, and in this project methods of assembling porphyrins on surfaces in well-defined patterns will be developed. Sophisticated methods will be used to characterise the films produced in these ways, in order to provide the information necessary to refine procedures and design new molecules suitable for advanced applications. Expected outcomes are new methods and architectures that can ultimately yield devices that act at the molecular level.Read moreRead less
Theoretical and computational approaches to accurately predict the structures of a unique family of circular and knotted proteins. The primary outcome will be a fundamental new knowledge on cyclotide structures and a new protein engineering method to design stabilised proteins. Because cyclotides have significantly higher stabilities than conventional proteins, they have a range of pharmaceutical and agricultural applications. Both fields of use have the potential for very great economic and soc ....Theoretical and computational approaches to accurately predict the structures of a unique family of circular and knotted proteins. The primary outcome will be a fundamental new knowledge on cyclotide structures and a new protein engineering method to design stabilised proteins. Because cyclotides have significantly higher stabilities than conventional proteins, they have a range of pharmaceutical and agricultural applications. Both fields of use have the potential for very great economic and social benefits for Australia. From a pharmaceutical perspective our computing development will greatly facilitate the design of stabilised peptide-based drugs using the cyclotide framework. Such drugs have potential sales of several billion dollars per annum and the royalty returns from successful commercialisation of IP can be substantial.Read moreRead less
Atomic scale precision engineering of cell-material interfaces. This project aims to determine the molecular structure of the interface between novel peptide self-assemblies and cell membranes through x-ray diffraction and molecular simulation. The project will generate knowledge to enable atomic scale engineering of peptide nanomaterials, and exploitation of these materials to modulate cell responses. Expected outcomes include designed peptide nanostructures with specific chemical and physical ....Atomic scale precision engineering of cell-material interfaces. This project aims to determine the molecular structure of the interface between novel peptide self-assemblies and cell membranes through x-ray diffraction and molecular simulation. The project will generate knowledge to enable atomic scale engineering of peptide nanomaterials, and exploitation of these materials to modulate cell responses. Expected outcomes include designed peptide nanostructures with specific chemical and physical cues to promote sustainable growth of desired cells, whilst inhibiting undesirable responses. These outcomes should provide benefits in terms of a practical toolkit for tailoring structure and function of peptide nanostructures and open up a new era in molecular design of smart biomaterials. This easily scalable, new materials platform will contribute to emerging high-value manufacturing industries in Australia.Read moreRead less
Characteristics of chlorophyll d-binding protein complexes: assembly of light-harvesting complexes. This project will investigate molecular mechanisms of photosynthesis in Chl d with the view to applying our findings in biotechnology and artificial photosynthesis. We will use a variety of molecular biology, proteomics and physical techniques to probe the bonding of Chl d to binding proteins. Synthetic peptide maquettes will provide a model to develop this understanding. Only two chlorophylls (a ....Characteristics of chlorophyll d-binding protein complexes: assembly of light-harvesting complexes. This project will investigate molecular mechanisms of photosynthesis in Chl d with the view to applying our findings in biotechnology and artificial photosynthesis. We will use a variety of molecular biology, proteomics and physical techniques to probe the bonding of Chl d to binding proteins. Synthetic peptide maquettes will provide a model to develop this understanding. Only two chlorophylls (a and d) have so far been found to take part in the primary reactions of photosynthesis. This research will grow our understanding of this pivotal process and underpin future developments in artificial photosynthesis and in the photonics industry.Read moreRead less
Degradable hollow microspheres for liver cancer treatment. The expected outcome of this multidisciplinary approach is a controlled drug delivery system for the treatment of liver cancer. We aim to increase the understanding of drug release using polymeric microspheres and the influence of the polymer properties on the release kinetics resulting in the tailored drug release for liver cancer treatment. An indepth knowledge in drug delivery can lead to optimised release kinetics leding to an increa ....Degradable hollow microspheres for liver cancer treatment. The expected outcome of this multidisciplinary approach is a controlled drug delivery system for the treatment of liver cancer. We aim to increase the understanding of drug release using polymeric microspheres and the influence of the polymer properties on the release kinetics resulting in the tailored drug release for liver cancer treatment. An indepth knowledge in drug delivery can lead to optimised release kinetics leding to an increased patient convenience and life prolonging treatments.Read moreRead less
Targeted synthesis of porous materials towards gas sorption and separation. Targeted synthesis, using a building block strategy and computational design, is an efficient method for controlled synthesis of porous materials. This project uses this method to synthesise porous materials with permanent functional pores for separating and storing fuels and greenhouse gases, addressing demanding energy and environmental problems.
Advanced adsorbents for gas separations. Efficient purification of natural gas and separation of similarly-sized molecules in gas mixtures is increasingly important in our drive to develop a more sustainable way of living in an energy-constrained world. This project will develop a new class of adsorbents to deliver a level of separation efficiency much higher than that currently in use.