Lighting up the charged brigade: laser spectroscopy of protonated and metal-containing complexes. Increasingly, the design of new pharmaceuticals uses computer modeling to account for the shapes of molecules and how they interact with their surroundings. The strongest forces between molecular components are those that involve charged chemical species known as ions. In this project, we will develop advanced laser-based techniques to study in unprecedented detail how molecules respond to the prese ....Lighting up the charged brigade: laser spectroscopy of protonated and metal-containing complexes. Increasingly, the design of new pharmaceuticals uses computer modeling to account for the shapes of molecules and how they interact with their surroundings. The strongest forces between molecular components are those that involve charged chemical species known as ions. In this project, we will develop advanced laser-based techniques to study in unprecedented detail how molecules respond to the presence of nearby charge, or to acquiring charge themselves. Understanding the nature of these attractions, and the structural changes that they induce eventually results in more accurate computer models. This has relevance to fields that include the architecture of proteins, recognition of signaling molecules in the brain, and drug development.Read moreRead less
Special Research Initiatives - Grant ID: SR0354636
Funder
Australian Research Council
Funding Amount
$30,000.00
Summary
Australian Computational Molecular Science Network. Computational Molecular Science (CMS) involves the use of theory and computational methods to simulate and visualise molecular systems ranging from small atmospheric species to proteins, nucleic acids, chemical polymers and materials. It represents our most incisive expression of what we understand about the molecular basis of nature. The CMS network will integrate and cross-fertilize both fundamental and application-based expertize in molecula ....Australian Computational Molecular Science Network. Computational Molecular Science (CMS) involves the use of theory and computational methods to simulate and visualise molecular systems ranging from small atmospheric species to proteins, nucleic acids, chemical polymers and materials. It represents our most incisive expression of what we understand about the molecular basis of nature. The CMS network will integrate and cross-fertilize both fundamental and application-based expertize in molecular scale computations in the fields of nanoscience, biomaterials, biotechnology, biomedical science and environmental science. It will uncover and explore critical new interdisciplinary science and create new molecular-based paradigms that will drive advances in these fields over the next decade.Read moreRead less
Exploring new roles for phosphorus radicals in health, environment, and technology. Several practical outcomes will arise from this project. Information on processes that contribute to genetic disease and cancer will be derived through studies of the role of phosphorus radicals in DNA damage. Processes that lead to the degradation of natural and synthetic materials in the environment will be explored. Clean reactions will be developed for the fabrication of advanced materials (e.g. pharmaceutica ....Exploring new roles for phosphorus radicals in health, environment, and technology. Several practical outcomes will arise from this project. Information on processes that contribute to genetic disease and cancer will be derived through studies of the role of phosphorus radicals in DNA damage. Processes that lead to the degradation of natural and synthetic materials in the environment will be explored. Clean reactions will be developed for the fabrication of advanced materials (e.g. pharmaceuticals). These innovations will expand Australia's international profile in a growing research area. The project will also address three of Australia's National Research Priorities, contribute to the training of researchers in Free Radical Chemistry, and initiate research collaborations with institutions in France and the USA.Read moreRead less
Joint Theoretical and Experimental Electron Momentum Spectroscopic Studies for DNA Bases. The study of DNA structure is an area of intense research activity and continues to reveal new levels of complexity and diversity. Recent experiments (Science, 2002) provided direct evidences of the adenine non-planarity, indicating non-rigidity of DNA bases. Electron momentum spectroscopy (EMS) has been identified to be an appropriate technique in the study of chemical binding mechanism and orbitals at mol ....Joint Theoretical and Experimental Electron Momentum Spectroscopic Studies for DNA Bases. The study of DNA structure is an area of intense research activity and continues to reveal new levels of complexity and diversity. Recent experiments (Science, 2002) provided direct evidences of the adenine non-planarity, indicating non-rigidity of DNA bases. Electron momentum spectroscopy (EMS) has been identified to be an appropriate technique in the study of chemical binding mechanism and orbitals at molecular level. The aims of the project is to study orbitals and interactions of DNA and RNA bases such as adenine, thymine (uracil), guanine and cytosine using momentum space quantum mechanics and EMS experimental techniques. The outcome of the project will improve our understanding of the DNA double helical strand structure.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0237958
Funder
Australian Research Council
Funding Amount
$133,000.00
Summary
An enclosive flow Cooling cell for spectroscopic studies. We wish to install a low temperature absorption cell that will be coupled to high resolution spectrometer systems operating in the infrared, visible and ultra-violet regions of the spectrum. This will enable us to further develop techniques for the study of the structures, dynamics and kinetics of molecules of biological and atmospheric significance. This will lead to a better understanding of the structures, dynamics and reaction kinetic ....An enclosive flow Cooling cell for spectroscopic studies. We wish to install a low temperature absorption cell that will be coupled to high resolution spectrometer systems operating in the infrared, visible and ultra-violet regions of the spectrum. This will enable us to further develop techniques for the study of the structures, dynamics and kinetics of molecules of biological and atmospheric significance. This will lead to a better understanding of the structures, dynamics and reaction kinetics of these species and in the case of atmospheric species also provide molecular parameters required for atmospheric monitoring.Read moreRead less
Special Research Initiatives - Grant ID: SR0354591
Funder
Australian Research Council
Funding Amount
$10,000.00
Summary
New Techniques using X-rays, Electrons and Quantum Optics in Physics & Chemistry and key developments for biomedicine & industry. This network will develop theoretical, experimental and computational techniques addressing key issues in physics, chemistry, biology and geosciences. Scope will be wide-ranging and inclusive. We anticipate making major developments in the design and understanding of absolute X-ray Absorption Fine Structure, X-ray, Neutron and Electron Diffraction, Electron Density Ma ....New Techniques using X-rays, Electrons and Quantum Optics in Physics & Chemistry and key developments for biomedicine & industry. This network will develop theoretical, experimental and computational techniques addressing key issues in physics, chemistry, biology and geosciences. Scope will be wide-ranging and inclusive. We anticipate making major developments in the design and understanding of absolute X-ray Absorption Fine Structure, X-ray, Neutron and Electron Diffraction, Electron Density Mapping, Molecular and Cluster computations and Powder Diffraction for fundamental research, biomedical and industrial applications. These breakthroughs will be invaluable for the development of Australia's major research infrastructure (the synchrotron, electron microscopes, and the research reactor). This will develop Australian expertise and collaboration at the cutting edge of a variety of interdisciplinary fields.Read moreRead less
Special Research Initiatives - Grant ID: SR0354741
Funder
Australian Research Council
Funding Amount
$10,000.00
Summary
Quantum Many-Body Systems Network: Breakthrough Science and Frontier Technologies. This Initiative will bring together leading researchers with complementary expertise in mathematics and the enabling sciences to form a Network fostering world leading fundamental research and innovation in quantum many-body systems. The collaborative effort between mathematicians with powerful and sophisticated new techniques and physicists and chemists with deep insight into the challenges and opportunities of t ....Quantum Many-Body Systems Network: Breakthrough Science and Frontier Technologies. This Initiative will bring together leading researchers with complementary expertise in mathematics and the enabling sciences to form a Network fostering world leading fundamental research and innovation in quantum many-body systems. The collaborative effort between mathematicians with powerful and sophisticated new techniques and physicists and chemists with deep insight into the challenges and opportunities of the quantum realm will lead to breakthrough science of vital importance to the development of frontier technologies in Australia. This Network will also place a strong emphasis on research training, the mentoring of early career researchers and establishing collaborations with leading international research groups and networks.
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Understanding Collisions of Cold Polar Molecules. This project is in a high impact research field and therefore has several immediate and substantial national benefits. First, this project will directly raise the quality of Australian science in ultracold atomic physics, cold polar molecules physics, and quantum chemistry. Second, it will constitute high impact research from an Australian institute which will raise the recognition of the high quality Australian science. Third, it will further ....Understanding Collisions of Cold Polar Molecules. This project is in a high impact research field and therefore has several immediate and substantial national benefits. First, this project will directly raise the quality of Australian science in ultracold atomic physics, cold polar molecules physics, and quantum chemistry. Second, it will constitute high impact research from an Australian institute which will raise the recognition of the high quality Australian science. Third, it will further develop capabilities of the ARC Centre of Excellence for Quantum-Atom Optics (ACQAO). Fourth, this work will start high calibre international collaborations, most notably with a world renowned experimental group at Yale University among others.Read moreRead less
Coordination networks based on carbonate and related ions. The very familiar carbonate ion will be put to use to generate a very unfamiliar family of new coordination polymers with geometries and topologies of fundamental structural significance. Carbonate's ability to bring associated metal centres into close communication may lead to unusual and possibly useful electrical, magnetic and catalytic properties. The ability to deliberately engineer specifically targeted coordination polymers with ....Coordination networks based on carbonate and related ions. The very familiar carbonate ion will be put to use to generate a very unfamiliar family of new coordination polymers with geometries and topologies of fundamental structural significance. Carbonate's ability to bring associated metal centres into close communication may lead to unusual and possibly useful electrical, magnetic and catalytic properties. The ability to deliberately engineer specifically targeted coordination polymers with predetermined properties or functions would make possible diverse applications of great practical value; the project will contribute significantly to the basis for such capabilities leading to ?designer materials? of the future.Read moreRead less
Coordination Networks and Supramolecules with Chemically Active Reaction Sites. Supramolecular chemistry and crystal engineering are two related areas of chemistry which examine the way molecules can come together to form larger structures. Usually, however, the aggregations formed are chemically inert, limiting the scope of their potential applications. This project aims to design and synthesise such assemblies that are capable of actively participating in chemical reactions after assembly. The ....Coordination Networks and Supramolecules with Chemically Active Reaction Sites. Supramolecular chemistry and crystal engineering are two related areas of chemistry which examine the way molecules can come together to form larger structures. Usually, however, the aggregations formed are chemically inert, limiting the scope of their potential applications. This project aims to design and synthesise such assemblies that are capable of actively participating in chemical reactions after assembly. The realisation of these aims will give new routes to the production of new catalysts (analogous to enzymes in biological systems), nanoscale molecular sieves, molecular sensors, or materials that show unusual host-guest chemistryRead moreRead less