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
Complementary pairs for next generation self-assembled systems . This project will employ a set of complementary pairings where separate sites fit together at metal ions in a specific fashion orthogonal to other pairings, like two jigsaw pieces, while forming a poor fit with other pairings. These pairings will allow retention and transfer of structural information. In this way, the bulk combination of relatively simple precursors will lead to self-assembled structures with well-defined seque ....Complementary pairs for next generation self-assembled systems . This project will employ a set of complementary pairings where separate sites fit together at metal ions in a specific fashion orthogonal to other pairings, like two jigsaw pieces, while forming a poor fit with other pairings. These pairings will allow retention and transfer of structural information. In this way, the bulk combination of relatively simple precursors will lead to self-assembled structures with well-defined sequence identity. This program will make and use complex abiotic molecules, enhancing outcomes in molecular information storage and transfer, molecular recognition and sensing, chemical transformations, and energy transport events, leading to economic and environmental benefits for Australia in industry and manufacturing.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
Next generation supramolecular frameworks. This project aims to prepare new supramolecular frameworks assembled by hydrogen or halogen bonds. It is anticipated that this work will increase fundamental understanding of supramolecular self-assembly processes and the dynamic processes that are possible within these rearrangeable systems. The project aims to prepare a family of related frameworks, which will allow a detailed comparison of the stability, porosity and biotechnological applicability of ....Next generation supramolecular frameworks. This project aims to prepare new supramolecular frameworks assembled by hydrogen or halogen bonds. It is anticipated that this work will increase fundamental understanding of supramolecular self-assembly processes and the dynamic processes that are possible within these rearrangeable systems. The project aims to prepare a family of related frameworks, which will allow a detailed comparison of the stability, porosity and biotechnological applicability of new supramolecular materials. The expected outcomes are the development of lightweight and benign organic systems that will have applications in the removal of toxic organic and heavy metal pollutants from water, and in the encapsulation and stabilisation of catalytically-active enzymes.Read moreRead less
Discovery Early Career Researcher Award - Grant ID: DE200100421
Funder
Australian Research Council
Funding Amount
$427,116.00
Summary
A New Breed of Metallosupramolecular Assembly. Self-assembly is the ready formation of complex structures from simple components. Nature uses this to generate its most impressive molecular machinery to carry out complex tasks. Metallosupramolecular chemists combine simple components (metal ions and organic ligands) to create synthetic variants to fulfil similar roles. Current methods have limitations, and this project aims to create a new structural type: large and controllably variable metallo- ....A New Breed of Metallosupramolecular Assembly. Self-assembly is the ready formation of complex structures from simple components. Nature uses this to generate its most impressive molecular machinery to carry out complex tasks. Metallosupramolecular chemists combine simple components (metal ions and organic ligands) to create synthetic variants to fulfil similar roles. Current methods have limitations, and this project aims to create a new structural type: large and controllably variable metallo-foldamers (structures consisting of metal ions and ligands that coil like DNA). As well as benefiting fundamental knowledge, these molecules will be functional. They are expected to improve performance with enhanced outcomes in photophysical, photochemical, catalytic, and sensing applications.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