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
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
Vertically-aligned Single-walled Carbon Nanotube and Quantum Dot Junctions: A New Concept for Optically-tunable Three-dimensional Information Storage and Processing. The proposed study will have a direct impact to computer science and engineering and may provide new routes for application-oriented optoelectronic devices with outstanding performance. As industry gets closer to the realization of nanoscale applications, there will be a need of people who are educated in nanoscience and nanotechnol ....Vertically-aligned Single-walled Carbon Nanotube and Quantum Dot Junctions: A New Concept for Optically-tunable Three-dimensional Information Storage and Processing. The proposed study will have a direct impact to computer science and engineering and may provide new routes for application-oriented optoelectronic devices with outstanding performance. As industry gets closer to the realization of nanoscale applications, there will be a need of people who are educated in nanoscience and nanotechnology. This project will involve postdoctoral, graduate, undergraduate, high school, and minority students from multidisciplinary backgrounds to work together on the development of a common platform. 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
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