New Horizons in Diels-Alder Chemistry. Using a unique joint experimental-computational approach, we will develop reliable ways to predict the outcome of one of the most important chemical reactions. Practical applications of these new predictive tools will be developed involving powerful new versions of the reaction. Several different classes of biologically active natural products will be prepared including molecules with antitumor and antiretroviral activities. Libraries of structurally-relate ....New Horizons in Diels-Alder Chemistry. Using a unique joint experimental-computational approach, we will develop reliable ways to predict the outcome of one of the most important chemical reactions. Practical applications of these new predictive tools will be developed involving powerful new versions of the reaction. Several different classes of biologically active natural products will be prepared including molecules with antitumor and antiretroviral activities. Libraries of structurally-related analogues of natural compounds will be synthesised for biological evaluation.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
Deciphering ion specificity in complex electrolytes . This project aims to understand how ions influence the behaviour and properties of complex electrolytes (solutions containing either multiple ions, solvent mixtures, high electrolyte concentrations or a variety of interfaces, solutes or polymers). Complex electrolytes are ubiquitous in colloidal and particle technologies and underpin industrial and natural processes. Our team will combine experiment, simulation and theory to deliver a univers ....Deciphering ion specificity in complex electrolytes . This project aims to understand how ions influence the behaviour and properties of complex electrolytes (solutions containing either multiple ions, solvent mixtures, high electrolyte concentrations or a variety of interfaces, solutes or polymers). Complex electrolytes are ubiquitous in colloidal and particle technologies and underpin industrial and natural processes. Our team will combine experiment, simulation and theory to deliver a universal framework for understanding and predicting specific ion effects in complex electrolytes. The project outcomes are expected to deliver new understanding for researchers, robust rules of thumb for technologists and a public resource for data-driven solutions in applications utilising salt solutions. 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
Elucidating the Mode of Action of Nicotinic Receptor Ligands. Changes in brain function can cause human diseases such as epilepsy, schizophrenia and Alzheimer's disease. To develop new medicines to treat these conditions we need to study how drugs act in the brain. This project will use new methods of chemistry to make drugs, which will then be tested for biological activity at important brain receptors. This will tell us which compounds are most effective as potential drugs and also exactly whe ....Elucidating the Mode of Action of Nicotinic Receptor Ligands. Changes in brain function can cause human diseases such as epilepsy, schizophrenia and Alzheimer's disease. To develop new medicines to treat these conditions we need to study how drugs act in the brain. This project will use new methods of chemistry to make drugs, which will then be tested for biological activity at important brain receptors. This will tell us which compounds are most effective as potential drugs and also exactly where they act in the brain. Read moreRead less
Boron and silicon based pincer ligands for environmentally responsible catalysis. The production of everyday chemicals (pharmaceuticals, agrochemicals, polymers) comes at a price, economic and environmental. Metal catalysts significantly reduce the environmental impact of both the associated energy requirements and waste products. New classes of catalysts will be developed based on the unconventional elements boron and silicon.
Nanorheology: Hydrodynamic Slip in Newtonian Fluids. Understanding fluid flow across a surface is essential to a great number of technologies. For over one hundred years it has been assumed that the layer of fluid adjacent to the solid moves with the solid, this is known as the no-slip boundary condition. Recently direct force balance measurements of aqueous Newtonian solutions have indicated the presence of boundary slip. Using a newly developed nanorheology technique we will systematically inv ....Nanorheology: Hydrodynamic Slip in Newtonian Fluids. Understanding fluid flow across a surface is essential to a great number of technologies. For over one hundred years it has been assumed that the layer of fluid adjacent to the solid moves with the solid, this is known as the no-slip boundary condition. Recently direct force balance measurements of aqueous Newtonian solutions have indicated the presence of boundary slip. Using a newly developed nanorheology technique we will systematically investigate the conditions that control boundary slip. This information will be used to quantify, model and control boundary slip, progressing the fields of microfluidics, particle deposition, and colloid stability.Read moreRead less
Crystal-chemical tuning of order and disorder: a strategy for the discovery of novel solid state ionic conductors. The ultimate aim of this project is to discover novel ionic conductors suitable for use in energy technologies. By identifying, comprehensively characterising and optimising a number of such materials, this project will provide industry with the opportunity to implement them in new and improved devices.
A Midas touch for electrophiles in new reaction development. This project aims to address the lack of knowledge about how high-value organic molecules are formed in gold-catalysed reactions by advancing a novel mode of catalysis. This project expects to generate new knowledge about these gold-catalysed reactions using an innovative, interdisciplinary approach incorporating computational and synthetic techniques. Expected outcomes of this project include the optimisation and development of import ....A Midas touch for electrophiles in new reaction development. This project aims to address the lack of knowledge about how high-value organic molecules are formed in gold-catalysed reactions by advancing a novel mode of catalysis. This project expects to generate new knowledge about these gold-catalysed reactions using an innovative, interdisciplinary approach incorporating computational and synthetic techniques. Expected outcomes of this project include the optimisation and development of important organic reactions and enhancing collaboration nationally and internationally between computational and synthetic chemists. This should provide significant benefits in the form of improved chemical reactions for chemists to prepare new pharmaceuticals, agrochemicals and materials.Read moreRead less
Designing and Building Novel 2D Hybrid Materials. The aim of this project is to use computational and experimental techniques to discover and fabricate new hybrid materials. Single-layer (2-D) materials like graphene have gained prominence and new ones are constantly being reported. Hybrid materials built from combinations of 2-D layers are appearing but progress is slow. This project is designed to increase the rate of discovery and fabrication of hybrids. The outcome would be an extensive data ....Designing and Building Novel 2D Hybrid Materials. The aim of this project is to use computational and experimental techniques to discover and fabricate new hybrid materials. Single-layer (2-D) materials like graphene have gained prominence and new ones are constantly being reported. Hybrid materials built from combinations of 2-D layers are appearing but progress is slow. This project is designed to increase the rate of discovery and fabrication of hybrids. The outcome would be an extensive database of materials properties, clear direction on how to control material properties, and manufacturing protocols to build a wide range of new materials.Read moreRead less