Supramolecular Rip-n-Sew - New Computational Tools for Modelling Supermolecules. This project will develop new computational tools for predicting the chemical behaviour of large molecular and supramolecular systems with an accuracy and efficiency that has not previously been possible. It will also increase our mechanistic understanding of the principles governing supramolecular assembly in chemical and biological systems. This will enable cost and time savings in the design of advanced material ....Supramolecular Rip-n-Sew - New Computational Tools for Modelling Supermolecules. This project will develop new computational tools for predicting the chemical behaviour of large molecular and supramolecular systems with an accuracy and efficiency that has not previously been possible. It will also increase our mechanistic understanding of the principles governing supramolecular assembly in chemical and biological systems. This will enable cost and time savings in the design of advanced materials in the medical and agricultural contexts.Read moreRead less
Self-assembled supramolecular cages for guest binding and catalysis. This project aims to construct a family of supramolecular metal-containing cage-shaped molecules that possess specialised binding pockets with unique chemical properties that mimic enzymes. Many existing cage molecules contain well-defined three dimensional cavities reminiscent of enzymes' active sites. However, unlike natural systems they do not contain "active" metals with free coordination sites, and this limits their cataly ....Self-assembled supramolecular cages for guest binding and catalysis. This project aims to construct a family of supramolecular metal-containing cage-shaped molecules that possess specialised binding pockets with unique chemical properties that mimic enzymes. Many existing cage molecules contain well-defined three dimensional cavities reminiscent of enzymes' active sites. However, unlike natural systems they do not contain "active" metals with free coordination sites, and this limits their catalytic ability. This project aims to prepare a large family of robust organic cages quickly and easily, and subsequently incorporate metals containing free active sites that point into the cage cavity. It is expected that this will deliver strong and selective guest binding, and efficient and selective catalysis.Read moreRead less
Design and synthesis of operating molecular machines and solution and solid-state devices. This project involves the construction of machines and other devices engineered at the molecular level, which therefore offer a greater degree of miniaturisation and sophistication than their macro-engineered counterparts. The work is expected to provide fundamental advances in nanotechnology and underpin new industries based on advanced materials.
Enzyme-inspired polymer nanomaterials. This project aims to develop new chemical methods and polymers inspired by nature. Enzymes are nature’s catalysts: they recognise a substrate and bind with it to provide the optimal environment for a reaction. However, they are easily degraded, limiting their industrial use. This project aims to develop new, highly stable polymer designs that can perform similar functions. This will be achieved by using polymer and supramolecular chemistry to control the re ....Enzyme-inspired polymer nanomaterials. This project aims to develop new chemical methods and polymers inspired by nature. Enzymes are nature’s catalysts: they recognise a substrate and bind with it to provide the optimal environment for a reaction. However, they are easily degraded, limiting their industrial use. This project aims to develop new, highly stable polymer designs that can perform similar functions. This will be achieved by using polymer and supramolecular chemistry to control the reaction environment, in combination with computational techniques to explore observed reactivity and guide nanoenvironment design. Expected outcomes include new polymers and materials capable of controlling a range of reactions and expanding the scope of bioinspired polymer design.Read moreRead less
Mixed-Metal Clusters for Catalysis and Optical Applications. This project aims to afford new heterometallic molecular materials as precursors to catalysts and as new optical materials, exploiting oxophilic and carbophilic transition metal atoms for synergistic cooperation in certain catalytic processes, and using the polarity of heterometallic bonds to achieve strong optical limiting. Expected outcomes of this project include cluster structure/composition - catalysis/optical properties correlati ....Mixed-Metal Clusters for Catalysis and Optical Applications. This project aims to afford new heterometallic molecular materials as precursors to catalysts and as new optical materials, exploiting oxophilic and carbophilic transition metal atoms for synergistic cooperation in certain catalytic processes, and using the polarity of heterometallic bonds to achieve strong optical limiting. Expected outcomes of this project include cluster structure/composition - catalysis/optical properties correlations that will signpost the route to efficient catalysts and optical limiters. This Project should provide significant benefits such as chemoselective catalysts needed for pharmaceutical drug and agricultural chemical production, and broad temporal range optical limiters needed for optical device protection.Read moreRead less
Supramolecular Assemblies as Nanoscale Devices to Control Chemical and Physical Processes. The aims of this project are: i) to develop molecular reaction vessels to enhance the rates and control the outcomes of chemical processes; ii) to design and construct supramolecular species with a range of topologies; and iii) to explore the potential use of these supramolecular assemblies as thermal and photochemical switches and molecular tweezers, and as the basis for molecular machines and microelectr ....Supramolecular Assemblies as Nanoscale Devices to Control Chemical and Physical Processes. The aims of this project are: i) to develop molecular reaction vessels to enhance the rates and control the outcomes of chemical processes; ii) to design and construct supramolecular species with a range of topologies; and iii) to explore the potential use of these supramolecular assemblies as thermal and photochemical switches and molecular tweezers, and as the basis for molecular machines and microelectronic devices. The research is expected to provide new and efficient methods for bench-top and industrial scale synthesis of chemicals in water, as well as fundamental advances in nanotechnology to underpin new industries based on advanced materials.Read moreRead less
Polymer-functionalised nanotubes: controlled formation by self-assembly. This project will develop new structures of nanotubes by combining peptide sequences and synthetic polymers. These nanostructured materials will form the basis of a wide range of technological applications, such as inorganic nanotubes, ion channels, drug carriers, and more broadly in nanotechnology and nanomedicine.
Responsive nanoporous organic cages. This project will generate advanced materials that are constructed from functional nanoscale building blocks. The general design principles developed in this work will be utilised to synthesise a nanoporous adsorbent system that is able to self regulate its physical properties through dynamic structural responses to its environment.
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
Nano-fibrous structure for high-performance organic photovoltaic thin films. This project aims to create nano-fibrous active thin films with high charge mobility for organic photovoltaic (OPV) devices, using a method inspired by molecular gelation. The significance of this project is that it addresses a major bottleneck, i.e. poor charge generation and transport, that limits the efficiency of OPV devices. The outcomes will provide insights into the crucial factors that affect the self-assembly o ....Nano-fibrous structure for high-performance organic photovoltaic thin films. This project aims to create nano-fibrous active thin films with high charge mobility for organic photovoltaic (OPV) devices, using a method inspired by molecular gelation. The significance of this project is that it addresses a major bottleneck, i.e. poor charge generation and transport, that limits the efficiency of OPV devices. The outcomes will provide insights into the crucial factors that affect the self-assembly of organic semiconducting materials, and the influences of nano-fibrous structure on the charge mobility and efficiency of an OPV device. The outcomes will greatly facilitate the development of highly efficient, lightweight and low-cost solar energy harvesting devices to reduce our carbon footprint.Read moreRead less