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A new avenue to relaxor-like ferroelectric behaviour found by probing the structure and dynamics of [NH3NH2]Mg(HCO2)3 (2023)
Journal Article
Hitchings, T. J., Wickins, H. M., Peat, G. U. L., Hodgkinson, P., Srivastava, A. K., Lu, T., …Saines, P. J. (2023). A new avenue to relaxor-like ferroelectric behaviour found by probing the structure and dynamics of [NH3NH2]Mg(HCO2)3. Journal of Materials Chemistry C Materials for optical and electronic devices, 11(28), 9695-9706. https://doi.org/10.1039/d3tc00480e

The field of relaxor ferroelectrics has long been dominated by ceramic oxide materials exhibiting large polarisations with temperature and frequency dependence. Intriguingly, the dense metal–organic framework (MOF) [NH3NH2]Mg(HCO2)3 was reported as o... Read More about A new avenue to relaxor-like ferroelectric behaviour found by probing the structure and dynamics of [NH3NH2]Mg(HCO2)3.

Anionic surfactant solutions under shear using dissipative particle dynamics (2023)
Journal Article
Hendrikse, R., Bayly, A., & Jimack, P. (2023). Anionic surfactant solutions under shear using dissipative particle dynamics. The Journal of Chemical Physics, 158(21), Article 214906. https://doi.org/10.1063/5.0152673

We present a dissipative particle dynamics study of surfactant solutions under shear, which allows us to investigate their rheological properties. We consider a variety of concentrations and phase structures, including micellar solutions and liquid c... Read More about Anionic surfactant solutions under shear using dissipative particle dynamics.

Independent Membrane Binding Properties of the Caspase Generated Fragments of the Beaded Filament Structural Protein 1 (BFSP1) Involves an Amphipathic Helix (2023)
Journal Article
Jarrin, M., Kalligeraki, A. A., Uwineza, A., Cawood, C. S., Brown, A. P., Ward, E. N., …Quinlan, R. A. (2023). Independent Membrane Binding Properties of the Caspase Generated Fragments of the Beaded Filament Structural Protein 1 (BFSP1) Involves an Amphipathic Helix. Cells, https://doi.org/10.3390/cells12121580

Background: BFSP1 (beaded filament structural protein 1) is a plasma membrane, Aqua- 21 porin 0 (AQP0/MIP)-associated intermediate filament protein expressed in the eye lens. BFSP1 is 22 myristoylated, a post-translation modification that requires ca... Read More about Independent Membrane Binding Properties of the Caspase Generated Fragments of the Beaded Filament Structural Protein 1 (BFSP1) Involves an Amphipathic Helix.

Metal-based gels: Synthesis, properties, and applications (2023)
Journal Article
Picci, G., Caltagirone, C., Garau, A., Lippolis, V., Milia, J., & Steed, J. W. (2023). Metal-based gels: Synthesis, properties, and applications. Coordination Chemistry Reviews, 492, https://doi.org/10.1016/j.ccr.2023.215225

This review covers various aspects of recent developments on the design, the synthesis, the characterization of gels that: (i) are formed in the presence of metal ions (metallogels); (ii) are based on coordination complexes as gelators. Particular at... Read More about Metal-based gels: Synthesis, properties, and applications.

Aggregation-induced emission switch showing high contrast mehanofluorochromism and solvatofluorochromism: Specifically detects HSO3− in bioimaging studies (2023)
Journal Article
Das, S., Pratim Das, P., Walton, J. W., Kheng Quah, C., Ghoshal, K., & Bhattacharyya, M. (2023). Aggregation-induced emission switch showing high contrast mehanofluorochromism and solvatofluorochromism: Specifically detects HSO3− in bioimaging studies. Dyes and Pigments, 217, Article 111413. https://doi.org/10.1016/j.dyepig.2023.111413

In this work, a novel mechanoresponsive luminescent (MRL) and aggregation induced emission (AIE) switch, 2-(4-((9-butyl-9H-carbazol-3-yl)ethynyl)benzylidene)malononitrile (CABM) has been synthesized by a perfect blending of the carbazole-based triple... Read More about Aggregation-induced emission switch showing high contrast mehanofluorochromism and solvatofluorochromism: Specifically detects HSO3− in bioimaging studies.

An Electrochemistry and Computational Study at an Electrified Liquid–Liquid Interface for Studying Beta-Amyloid Aggregation (2023)
Journal Article
Silwane, B., Wilson, M., & Kataky, R. (2023). An Electrochemistry and Computational Study at an Electrified Liquid–Liquid Interface for Studying Beta-Amyloid Aggregation. Membranes, 13(6), Article 584. https://doi.org/10.3390/membranes13060584

Amphiphilic peptides, such as Aß amyloids, can adsorb at an interface between two immiscible electrolyte solutions (ITIES). Based on previous work (vide infra), a hydrophilic/hydrophobic interface is used as a simple biomimetic system for studying dr... Read More about An Electrochemistry and Computational Study at an Electrified Liquid–Liquid Interface for Studying Beta-Amyloid Aggregation.

Formation of Ultracold Molecules by Merging Optical Tweezers (2023)
Journal Article
Ruttley, D. K., Guttridge, A., Spence, S., Bird, R. C., Le Sueur, C. R., Hutson, J. M., & Cornish, S. L. (2023). Formation of Ultracold Molecules by Merging Optical Tweezers. Physical Review Letters, 130(22), https://doi.org/10.1103/physrevlett.130.223401

We demonstrate the formation of a single RbCs molecule during the merging of two optical tweezers, one containing a single Rb atom and the other a single Cs atom. Both atoms are initially predominantly in the motional ground states of their respectiv... Read More about Formation of Ultracold Molecules by Merging Optical Tweezers.

Swelling of compacted bentonite in organic solvents: Correlation of rate and extent of swelling with solvent properties (2023)
Journal Article
Erdogan, A. R., Whitford, A. C., Underwood, T. R., Sellick, C., Patel, R., Skipper, N. T., & Greenwell, H. C. (2023). Swelling of compacted bentonite in organic solvents: Correlation of rate and extent of swelling with solvent properties. Applied Clay Science, 241, https://doi.org/10.1016/j.clay.2023.107000

The swelling of clay minerals within shale formations during oil and gas exploration, and within compacted bentonite barriers for radioactive waste containment, presents a number of challenges to operators. Whilst much work has been devoted to unders... Read More about Swelling of compacted bentonite in organic solvents: Correlation of rate and extent of swelling with solvent properties.

Influence of polyvinylpyrrolidone (PVP) in the synthesis of luminescent NaYF4:Yb,Er upconversion nanoparticles (2023)
Journal Article
Birch, R., Bruckbauer, J., Gajewska, M., Cios, G., Pal, R., & MacKenzie, L. E. (2023). Influence of polyvinylpyrrolidone (PVP) in the synthesis of luminescent NaYF4:Yb,Er upconversion nanoparticles. Methods and Applications in Fluorescence, 11(3), Article 034001. https://doi.org/10.1088/2050-6120/acd837

Polyvinylpyrrolidone (PVP) can be used to produce upconversion nanoparticles (UCNPs) in an advantageous manner, i.e. at modest temperatures in open-to-air conditions with simple hotplate and flask apparatus. However, the influence of PVP parameters o... Read More about Influence of polyvinylpyrrolidone (PVP) in the synthesis of luminescent NaYF4:Yb,Er upconversion nanoparticles.

Mapping the Evolution of Activity-Based Protein Profiling: A Bibliometric Review (2023)
Journal Article
Porta, E. O. J. (2023). Mapping the Evolution of Activity-Based Protein Profiling: A Bibliometric Review. Advanced Pharmaceutical Bulletin, 13(4), 639-645. https://doi.org/10.34172/apb.2023.082

Activity-based protein profiling (ABPP) is a chemoproteomic approach that employs small-molecule probes to directly evaluate protein functionality within complex proteomes. This technology has proven to be a potent strategy for mapping ligandable sit... Read More about Mapping the Evolution of Activity-Based Protein Profiling: A Bibliometric Review.

Cysteine synthase: multiple structures of a key enzyme in cysteine synthesis and a potential drug target for Chagas disease and leishmaniasis (2023)
Journal Article
Sowerby, K., Freitag-Pohl, S., Murillo, A. M., Silber, A. M., & Pohl, E. (2023). Cysteine synthase: multiple structures of a key enzyme in cysteine synthesis and a potential drug target for Chagas disease and leishmaniasis. Acta Crystallographica Section D: Structural Biology, 79(6), 518-530. https://doi.org/10.1107/s2059798323003613

Chagas disease is a neglected tropical disease (NTD) caused by Trypanosoma cruzi, whilst leishmaniasis, which is caused by over 20 species of Leishmania, represents a group of NTDs endemic to most countries in the tropical and subtropical belt of the... Read More about Cysteine synthase: multiple structures of a key enzyme in cysteine synthesis and a potential drug target for Chagas disease and leishmaniasis.

Terahertz EPR spectroscopy using a 36-tesla high-homogeneity series-connected hybrid magnet (2023)
Journal Article
Dubroca, T., Wang, X., Mentink-Vigier, F., Trociewitz, B., Starck, M., Parker, D., Sherwin, M. S., Hill, S., & Krzystek, J. (2023). Terahertz EPR spectroscopy using a 36-tesla high-homogeneity series-connected hybrid magnet. Journal of Magnetic Resonance, 353, Article 107480. https://doi.org/10.1016/j.jmr.2023.107480

Electron Paramagnetic Resonance (EPR) is a powerful technique to study materials and biological samples on an atomic scale. High-field EPR in particular enables extracting very small g-anisotropies in organic radicals and half-filled 3d and 4f metal... Read More about Terahertz EPR spectroscopy using a 36-tesla high-homogeneity series-connected hybrid magnet.

A many-body dissipative particle dynamics parametrisation scheme to study behaviour at air–water interfaces (2023)
Journal Article
Hendrikse, R., Amador, C., & Wilson, M. R. (2023). A many-body dissipative particle dynamics parametrisation scheme to study behaviour at air–water interfaces. Soft Matter, 19(20), 3590-3604. https://doi.org/10.1039/d3sm00276d

In this article, we present a general parametrisation scheme for many-body dissipative particle dynamics (MDPD). The scheme is based on matching model components to experimental surface tensions and chemical potentials. This allows us to obtain the c... Read More about A many-body dissipative particle dynamics parametrisation scheme to study behaviour at air–water interfaces.

Quantitative Raman microscopy to describe structural organisation in hollow microcrystals built from silicon catecholate and amines (2023)
Journal Article
Volkov, V. V., Blundell, T. J., Argent, S., & Perry, C. C. (2023). Quantitative Raman microscopy to describe structural organisation in hollow microcrystals built from silicon catecholate and amines. Dalton Transactions, 52(21), 7249-7257. https://doi.org/10.1039/d3dt00856h

Macroscopic scale hollow microcrystals are a promising group of materials for gas and liquid uptake as well as sensing. In this contribution we describe the structure of hollow hexagonal cross-section crystals formulated as salts of a silicon catecho... Read More about Quantitative Raman microscopy to describe structural organisation in hollow microcrystals built from silicon catecholate and amines.

A to Z of polymorphs related by proton transfer (2023)
Journal Article
Woods-Ryan, A., Doherty, C. L., & Cruz-Cabeza, A. J. (2023). A to Z of polymorphs related by proton transfer. CrystEngComm, 25(19), 2845-2858. https://doi.org/10.1039/d3ce00216k

The occurrence of tautomeric polymorphism in the Cambridge Structural Database (CSD) was established to be very rare in a previous study by A. J. Cruz-Cabeza and C. R. Groom (CrystEngComm, 2011, 13, 93). A decade has now elapsed and the CSD has seen... Read More about A to Z of polymorphs related by proton transfer.

Partitioning into phosphatidylcholine-cholesterol membranes: liposome measurements, coarse-grained simulations, and implications for bioaccumulation (2023)
Journal Article
Potter, T. D., Haywood, N., Teixeira, A., Hodges, G., Barrett, E. L., & Miller, M. A. (2023). Partitioning into phosphatidylcholine-cholesterol membranes: liposome measurements, coarse-grained simulations, and implications for bioaccumulation. Environmental Science: Processes & Impacts, 1082-1093. https://doi.org/10.1039/d3em00081h

Membrane–water partitioning is an important physical property for the assessment of bioaccumulation and environmental impact. Here, we advance simulation methodology for predicting the partitioning of small molecules into lipid membranes and compare... Read More about Partitioning into phosphatidylcholine-cholesterol membranes: liposome measurements, coarse-grained simulations, and implications for bioaccumulation.

Going Full Circle with Organocatalysis and Biocatalysis: The Latent Potential of Cofactor Mimics in Asymmetric Synthesis (2023)
Journal Article
Murray, J., Hodgson, D. R., & O’Donoghue, A. C. (2023). Going Full Circle with Organocatalysis and Biocatalysis: The Latent Potential of Cofactor Mimics in Asymmetric Synthesis. Journal of Organic Chemistry, https://doi.org/10.1021/acs.joc.2c02747

Many enzymes work in tandem with small molecule cofactors, which have inspired organocatalyst designs. Chemical modification of cofactor scaffolds has increased organocatalytic reactivity and reaction scope. This synopsis presents a selection of rece... Read More about Going Full Circle with Organocatalysis and Biocatalysis: The Latent Potential of Cofactor Mimics in Asymmetric Synthesis.

Unraveling the decarboxylation dynamics of the fluorescein dianion with fragment action spectroscopy (2023)
Journal Article
Gibbard, J., & Verlet, J. (2023). Unraveling the decarboxylation dynamics of the fluorescein dianion with fragment action spectroscopy. The Journal of Chemical Physics, 158(15), Article 154306. https://doi.org/10.1063/5.0144851

The decarboxylation dynamics of the doubly deprotonated fluorescein dianion, Fl2−, are investigated by recording fragment action spectra for the anion, Fl−, and its decarboxylated analog, Fl–CO2−, using a new reflectron secondary mass spectrometer. T... Read More about Unraveling the decarboxylation dynamics of the fluorescein dianion with fragment action spectroscopy.

Oxidation State Tuning of Room Temperature Phosphorescence and Delayed Fluorescence in Phenothiazine and Phenothiazine‐5,5‐dioxide Dimers (2023)
Journal Article
Wright, I. A., Etherington, M. K., Batsanov, A. S., Monkman, A. P., & Bryce, M. R. (2023). Oxidation State Tuning of Room Temperature Phosphorescence and Delayed Fluorescence in Phenothiazine and Phenothiazine‐5,5‐dioxide Dimers. Chemistry - A European Journal, 29(30), Article e202300428. https://doi.org/10.1002/chem.202300428

Heterocyclic dimers consisting of combinations of butterfly-shaped phenothiazine (PTZ) and its chemically oxidized form phenothiazine-5,5-dioxide (PTZ(SO2)) have been synthesized. A twist is imposed across the dimers by ortho-substituents including m... Read More about Oxidation State Tuning of Room Temperature Phosphorescence and Delayed Fluorescence in Phenothiazine and Phenothiazine‐5,5‐dioxide Dimers.