A reliable physical model of molecular motion in crystals. The scientific benefits would flow, in the first instance, to the large national and international communities of scientists whose research makes use of the results of X-ray diffraction experiments. Applications of the research to amino acids and peptides will benefit investigations into the structure and molecular dynamics of biological systems, including proteins and enzymes. Studies of charge densities in crystals will obtain a standa ....A reliable physical model of molecular motion in crystals. The scientific benefits would flow, in the first instance, to the large national and international communities of scientists whose research makes use of the results of X-ray diffraction experiments. Applications of the research to amino acids and peptides will benefit investigations into the structure and molecular dynamics of biological systems, including proteins and enzymes. Studies of charge densities in crystals will obtain a standard tool for improved modelling of molecular motion, resulting in physically more realistic charge density functions, and hence greater insight into the relationship between properties of crystals and their constituent molecules.Read moreRead less
Electronic and Optical Properties of Doped Titanium Dioxide. Titanium dioxide, is widely used as a white pigment, owing to its high refractive index, second, only after diamond. Yellowing of rutile pigment particles, observed on prolonged exposure to sunlight, is a serious problem that pigment manufacturers would like to overcome. It is proposed that aluminium-doping of rutile limits this discolouration by altering the electronic structure of the rutile particles. This project seeks to identify ....Electronic and Optical Properties of Doped Titanium Dioxide. Titanium dioxide, is widely used as a white pigment, owing to its high refractive index, second, only after diamond. Yellowing of rutile pigment particles, observed on prolonged exposure to sunlight, is a serious problem that pigment manufacturers would like to overcome. It is proposed that aluminium-doping of rutile limits this discolouration by altering the electronic structure of the rutile particles. This project seeks to identify the specific electronic cause of the yellowing process, the nature of the Al defect,it's effect on the electronic structure of rutile, and the electronic perturbations that may occur when other dopants are used.Read moreRead less
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
Experimental Electron Densities, Crystal Engineering and Molecular Recognition: A Supramolecular Approach to Drug Design. GABA receptors are important therapeutic targets for the treatment of a number of disorders from memory dysfunction, to muscle spasticity and chronic pain. This project is designed to address some of the fundamental questions associated with drug/target interactions. This work will lead to a greater understanding of how the chemical structure of a drug can be tailored to prod ....Experimental Electron Densities, Crystal Engineering and Molecular Recognition: A Supramolecular Approach to Drug Design. GABA receptors are important therapeutic targets for the treatment of a number of disorders from memory dysfunction, to muscle spasticity and chronic pain. This project is designed to address some of the fundamental questions associated with drug/target interactions. This work will lead to a greater understanding of how the chemical structure of a drug can be tailored to produce a more effective compound. The outcomes of this program will highlight Australia as a strong contributing nation in molecular design. It is certain that the outcomes of this program will benefit Australia by providing a much greater level of understanding of the fundamental properties of molecules and how others may be rationally designed to suit a specific role.Read moreRead less
Double resonance spectroscopy for astrochemistry. We will use advanced laser techniques to probe simulated astrophysical environments with a view to identifying molecules in space. The types of molecules under study are also of direct relevance to other fields such as combustion, and will reveal details of the chemistry of pollution and atmospheres.
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
The role of low-energy excited states in solar-energy capture. This project aims to determine the nature and role of the lowest-energy excited states in most natural photosynthetic reaction centres and light-harvesting complexes. The lowest-energy states of bacterial reaction centres are critical to function and are used as a paradigm in artificial organic solar-energy capture, but for most photosystems their nature remains unknown. The project aims to answer the critical question of why they do ....The role of low-energy excited states in solar-energy capture. This project aims to determine the nature and role of the lowest-energy excited states in most natural photosynthetic reaction centres and light-harvesting complexes. The lowest-energy states of bacterial reaction centres are critical to function and are used as a paradigm in artificial organic solar-energy capture, but for most photosystems their nature remains unknown. The project aims to answer the critical question of why they do not actually prevent function. It is expected that both the outcomes obtained and techniques developed will be directly relevant to solar-energy device design. The project will apply five existing, complimentary and purposely built spectrometers as well as quantum electronic and nuclear simulation techniques to identify and characterise three key systems.Read moreRead less
TAILORING OF CARBON MATERIALS FOR USE IN DIRECT CARBON FUEL CELLS. This project aims to develop a fundamental understanding of and methods for tailoring carbon materials to be used in high efficiency (80-85%) direct carbon fuel cells (DCFC). This project addresses an important area in clean and efficient energy supply to meet the World's long-term energy and environmental requirements. Specifically, we aim to focus on the carbon particulates based on carbon black materials with a turbostratic st ....TAILORING OF CARBON MATERIALS FOR USE IN DIRECT CARBON FUEL CELLS. This project aims to develop a fundamental understanding of and methods for tailoring carbon materials to be used in high efficiency (80-85%) direct carbon fuel cells (DCFC). This project addresses an important area in clean and efficient energy supply to meet the World's long-term energy and environmental requirements. Specifically, we aim to focus on the carbon particulates based on carbon black materials with a turbostratic structure, and to investigate the relationship between the microstructures of synthetic carbon black materials and their efficacy in DCFC systems. Ultimately, we aim to engineer novel carbon particulates for use in DCFCs.Read moreRead less
Unravelling the dominant drivers of ion specificity. This project aims to understand what governs the sensitivity of many technological and biological processes to the precise nature of the salt present in solution. The term ‘ion-specific’ encompasses all the circumstances in which the influence of a salt in solution depends on the precise chemical nature of the salt, not just the electrical charge on the ions that form the salt. As such, ion-specific effects abound and have important consequenc ....Unravelling the dominant drivers of ion specificity. This project aims to understand what governs the sensitivity of many technological and biological processes to the precise nature of the salt present in solution. The term ‘ion-specific’ encompasses all the circumstances in which the influence of a salt in solution depends on the precise chemical nature of the salt, not just the electrical charge on the ions that form the salt. As such, ion-specific effects abound and have important consequences in most situations involving solutions, including cellular functions and battery technology. This project will enable us to understand and control the influence of specific ions, building on our recently described fundamental ion-specific series with colloid science experiments and quantum simulations. This project should overcome current challenges in predicting ion-specific effects leading to progress in a wide variety of applications of colloid and interface science, from sensor interfaces to self-assembly.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