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Supercritical RROP: Exploring the radical ring-opening polymerisation of 2-methylene-1,3,6-trioxocane in supercritical CO2 as a green solvent (2024)
Journal Article
Mehner, F., Hopkins, B., Reynolds-Green, M., Keddie, D. J., Howdle, S. M., & Gaitzsch, J. (2024). Supercritical RROP: Exploring the radical ring-opening polymerisation of 2-methylene-1,3,6-trioxocane in supercritical CO2 as a green solvent. Polymer, 309, Article 127373. https://doi.org/10.1016/j.polymer.2024.127373

Radical ring opening polymerisation (RROP) of cyclic ketene acetals (CKAs) is an attractive technique to synthesize branched, (bio)degradable polyesters. However, CKAs as monomers of RROP suffer from hydrolysis lability, making aqueous heterogeneous... Read More about Supercritical RROP: Exploring the radical ring-opening polymerisation of 2-methylene-1,3,6-trioxocane in supercritical CO2 as a green solvent.

An Improved Diabatization Scheme for Computing the Electronic Circular Dichroism of Proteins (2024)
Journal Article
Rogers, D. M., Do, H., & Hirst, J. D. (2024). An Improved Diabatization Scheme for Computing the Electronic Circular Dichroism of Proteins. Journal of Physical Chemistry B, 128(30), 7350-7361. https://doi.org/10.1021/acs.jpcb.4c02582

We advance the quality of first-principles calculations of protein electronic circular dichroism (CD) through an amelioration of a key deficiency of a previous procedure that involved diabatization of electronic states on the amide chromophore (to ob... Read More about An Improved Diabatization Scheme for Computing the Electronic Circular Dichroism of Proteins.

Sustainable, upscaled synthesis of pinene-derived (meth)acrylates and their application as high Tg monomers in styrene/acrylic-based bioderived copolymer coatings (2024)
Journal Article
Pin-Nó, M., Jacob, P. L., Taresco, V., Kastelijn, M., Nabuurs, T., Surti, C., Bilney, J., Daly, J., Keddie, D. J., Howdle, S. M., & Stockman, R. A. (2024). Sustainable, upscaled synthesis of pinene-derived (meth)acrylates and their application as high Tg monomers in styrene/acrylic-based bioderived copolymer coatings. RSC Sustainability, 2(9), 2515-2523. https://doi.org/10.1039/D4SU00210E

An improved synthesis of the pinene-derived monomers (3-pinanyl acrylate 1 and 3-pinanyl methacrylate 2), replacing hazardous and/or expensive reagents from established methods with cheaper, more innocuous and sustainable reagents, is reported; the m... Read More about Sustainable, upscaled synthesis of pinene-derived (meth)acrylates and their application as high Tg monomers in styrene/acrylic-based bioderived copolymer coatings.

Strategies for producing high value small molecules in microalgae (2024)
Journal Article
O'Neill, E., & Cagney, M. (2024). Strategies for producing high value small molecules in microalgae. Plant Physiology and Biochemistry, 214, Article 108942. https://doi.org/10.1016/j.plaphy.2024.108942

Eukaryotic microalgae are a diverse group of organisms that can be used for the sustainable production of a wide range of high value compounds, including lipids, flavours and colourants, bioplastics and cosmetics. Optimising total biomass production... Read More about Strategies for producing high value small molecules in microalgae.

Structure Determination of F4TCNQ on Ag(111): A Systematic Trend in Metal Adatom Incorporation (2024)
Journal Article
Hobson, A. L., Hussain, H., Mousley, P. J., Duncan, D. A., Braim, M., Costantini, G., Nicklin, C., & Woodruff, D. P. (2024). Structure Determination of F4TCNQ on Ag(111): A Systematic Trend in Metal Adatom Incorporation. ACS Omega, 9(29), 32193-32200. https://doi.org/10.1021/acsomega.4c04860

A structure determination of the commensurate phase formed by 7,7,8,8-tetracyano-2,3,5,6-tetrafluoroquinodimethane (F4TCNQ) absorbed on Ag(111) is reported. Initial characterization was performed using low-energy electron diffraction and synchrotron... Read More about Structure Determination of F4TCNQ on Ag(111): A Systematic Trend in Metal Adatom Incorporation.

Tuning the mechanical properties of molecular perovskites by controlling framework distortions via A-site substitution (2024)
Journal Article
Kronawitter, S. M., Park, S., Hallweger, S. A., Myatt, E., Pitcairn, J., Cliffe, M. J., Daisenberger, D., Drees, M., & Kieslich, G. (2024). Tuning the mechanical properties of molecular perovskites by controlling framework distortions via A-site substitution. Materials Advances, 5(16), 6440-6445. https://doi.org/10.1039/d4ma00587b

Molecular perovskites are important materials in the area of barocalorics, improper ferroelectrics and ferroelastics, where the search for principles that link composition, structure and mechanical properties is a key challenge. Herein, we report the... Read More about Tuning the mechanical properties of molecular perovskites by controlling framework distortions via A-site substitution.

Controlling Noncollinear Ferromagnetism in van der Waals Metal-Organic Magnets (2024)
Journal Article
Pitcairn, J., Ongkiko, M. A., Iliceto, A., Speakman, P. J., Calder, S., Cochran, M. J., Paddison, J. A., Liu, C., Argent, S. P., Morris, A. J., & Cliffe, M. J. (2024). Controlling Noncollinear Ferromagnetism in van der Waals Metal-Organic Magnets. Journal of the American Chemical Society, 146(28), 19146–19159. https://doi.org/10.1021/jacs.4c04102

Van der Waals (vdW) magnets both allow exploration of fundamental 2D physics and offer a route toward exploiting magnetism in next generation information technology, but vdW magnets with complex, noncollinear spin textures are currently rare. We repo... Read More about Controlling Noncollinear Ferromagnetism in van der Waals Metal-Organic Magnets.

Modeling interactions between rubidium atom and magnetometer cell wall molecules (2024)
Journal Article
David, G., Wibowo-Teale, A. M., & Rogers, D. M. (2024). Modeling interactions between rubidium atom and magnetometer cell wall molecules. Journal of Chemical Physics, 161(1), Article 014301. https://doi.org/10.1063/5.0201903

Magnetometer cell wall coat molecules play an important role in preserving the lifetime of pumped alkali metal atoms for use in magnetometers that are capable of measuring very small magnetic fields. The goal of this study is to help rationalize the... Read More about Modeling interactions between rubidium atom and magnetometer cell wall molecules.

All-Inorganic Electrical Insulation Systems for High-Power Density Electrical Machines (2024)
Presentation / Conference Contribution
Kudrynskyi, Z. R., Connor, P. H., Cooper, T. P., Wadge, M. D., Kerfoot, J., Zheng, X., Felfel, R. M., Korolkov, V. V., Kubal, M., Gerada, C., & Grant, D. M. (2024, June). All-Inorganic Electrical Insulation Systems for High-Power Density Electrical Machines. Presented at 2024 IEEE 5th International Conference on Dielectrics (ICD), Toulouse, France

This paper introduces the concept of ‘All-Inorganic Electrical Insulation (EI) System’ to enable the next generation of high-power-density electrical machines (EMs) that can operate at extreme conditions, namely high voltages (V) up to 1 kV DC and hi... Read More about All-Inorganic Electrical Insulation Systems for High-Power Density Electrical Machines.