New Paper: “Modular software for generating and modelling diverse polymer databases”

Machine learning has the potential to revolutionize the design of new functional materials, but building the large and diverse databases of molecules required for training these methods remains a challenge. Automated computational chemistry workflows have become an essential tool in this data-driven search for new materials with novel properties, providing …

New Paper: “Conformational Heterogeneity and Interchain Percolation Revealed in an Amorphous Conjugated Polymer”

In this manuscript,  we provide new fundamental insights into the nanoscale structure of an archetypal donor-acceptor conjugated polymer, poly(9,9-di-n-octylfluorene-alt-benzothiadiazole (F8BT). F8BT is a widely-studied conjugated polymer, which is used in a variety of different application areas due to its bright fluorescence and biocompatibility, usually in the form of conjugated polymer …

New Paper: “NSAID solubilisation promotes morphological transitions in Triton X-114 surfactant micelles”

In this manuscript, we identify the underlying molecular scale mechanisms that drive the solubilisation of two different small molecule drugs within Triton X-114 surfactant micelles, and how the solubilisation affects the structural properties of the micelles. Specifically, we have investigated the solubilisation of the sodium salts of two different nonsteroidal …

Awarded a UKRI grant to develop a coronavirus sensor

Our project, entitled ‘DisCoVer: Aptamer biosensors for the detection of SARS-CoV-2 on surfaces’, is a collaboration between Dr Nunzianda Frascione and Dr James Gooch from the School of Population Health & Environmental Sciences and Professor Mark Green  from the Department of Physics.  Rob Ziolek is going to continue on working in the group as …

New Paper: “Unsupervised learning unravels the structure of four-arm and linear block copolymer micelles”

In our recent manuscript, we provide new fundamental insights into the microscopic structure of linear and four-arm block copolymers (members of the Pluronic and Tetronic families, respectively). The Pluronics and Tetronics typically self-assemble into small micelles in aqueous solution, which have found societally important applications in biomaterials and drug delivery. …

New Paper: “Interplay of lipid and surfactant: impact on nanoparticle structure”

In our recent manuscript we elucidate vital information into how the interactions between a surfactant and a lipid effect the internal structure and morphology of the nanoparticles that they form.  In doing so, we implement machine learning techniques alongside small angle neutron scattering experiments and molecular dynamics simulations to provide …

New Paper: “Understanding the pH-Directed Self-Assembly of a Four-Arm Block Copolymer”

In this work, we elucidate the pH-directed self-assembly of Tetronic 304 (T304), a four-arm block copolymer.  T304, as the smallest member of the Tetronics family, acts as an ideal testing ground to probe the underlying mechanisms that determine the self-assembly behaviour of this important class of polymers, which are of …

New Paper: “Morphology of bile salts micelles and mixed micelles with lipolysis products, from scattering techniques and atomistic simulations”

Bile salts (BS) are biosurfactants released into the small intestine, which play key and contrasting roles in lipid digestion: they adsorb at interfaces and promote the adsorption of digestive enzymes onto fat droplets, while they also remove lipolysis products from that interface, solubilising them into mixed micelles. Small architectural variations …

New Paper: “Time‐Resolved Fluorescence Anisotropy of a Molecular Rotor Resolves Microscopic Viscosity Parameters in Complex Environments”

Lipid droplets are cytoplasmic organelles that store neutral lipids (e.g. triacylglycerols & sterol esters) that serve as reservoirs of energy. The neutral lipid core of lipid droplets are bounded by a phospholipid monolayer, which differentiates them from most other organelles that have a bilayer membrane. There are various nano-environments of …