A Tale of Two Bioconjugations: pH Controlled Divergent Reactivity of Protein α-oxo-Aldehydes in Competing α-oxo-Mannich and Catalyst-Free Aldol Ligations (2021)
Journal Article
Keenan, T., Spears, R. J., Akkad, S., Mahon, C. S., Hatton, N. E., Walton, J., …Fascione, M. A. (2021). A Tale of Two Bioconjugations: pH Controlled Divergent Reactivity of Protein α-oxo-Aldehydes in Competing α-oxo-Mannich and Catalyst-Free Aldol Ligations. ACS Chemical Biology, 16(11), 2387-2400. https://doi.org/10.1021/acschembio.1c00531

Site-selective chemical methods for protein bioconjugation have revolutionized the fields of cell and chemical biology through the development of novel protein/enzyme probes bearing fluorescent, spectroscopic, or even toxic cargos. Herein, we report... Read More about A Tale of Two Bioconjugations: pH Controlled Divergent Reactivity of Protein α-oxo-Aldehydes in Competing α-oxo-Mannich and Catalyst-Free Aldol Ligations.

Pathogenic variants in the CYP21A2 gene cause isolated autosomal dominant congenital posterior polar cataracts (2021)
Journal Article
Berry, V., Pontikos, N., Ionides, A., Kalitzeos, A., Quinlan, R. A., & Michaelides, M. (2022). Pathogenic variants in the CYP21A2 gene cause isolated autosomal dominant congenital posterior polar cataracts. Ophthalmic Genetics, 43(2), 218-223. https://doi.org/10.1080/13816810.2021.1998556

Background: Congenital cataracts are the most common cause of visual impairment worldwide. Inherited cataract is a clinically and genetically heterogeneous disease. Here we report disease-causing variants in a novel gene, CYP21A2, causing autosomal d... Read More about Pathogenic variants in the CYP21A2 gene cause isolated autosomal dominant congenital posterior polar cataracts.

Derisking the Polymorph Landscape: The Complex Polymorphism of Mexiletine Hydrochloride (2021)
Journal Article
Andrews, J. L., Nilsson Lill, S. O., Freitag-Pohl, S., Apperley, D. C., Yufit, D. S., Batsanov, A. S., …Steed, J. W. (2021). Derisking the Polymorph Landscape: The Complex Polymorphism of Mexiletine Hydrochloride. Crystal Growth and Design, 21(12), 7150-7167. https://doi.org/10.1021/acs.cgd.1c01009

This work presents an updated solid form discovery approach to the polymorphism of the anti-arrhythmic drug mexiletine hydrochloride, in which experimental and computational techniques are combined to provide a rigorous characterisation of the solid-... Read More about Derisking the Polymorph Landscape: The Complex Polymorphism of Mexiletine Hydrochloride.

Improving social sustainability and reducing supply chain risks through blockchain implementation: role of outcome and behavioural mechanisms (2021)
Journal Article
Chaudhuri, A., Bhatia, M., Kayikci, Y., Fernandes, K., & FossoWamba, S. (2023). Improving social sustainability and reducing supply chain risks through blockchain implementation: role of outcome and behavioural mechanisms. Annals of Operations Research, 327, 401–433. https://doi.org/10.1007/s10479-021-04307-6

The implementation of blockchain technology holds promise for improving social sustainability and minimizing risks across the supply chain. A theory-driven analysis of how blockchain implementation affects social sustainability and minimizes risks (o... Read More about Improving social sustainability and reducing supply chain risks through blockchain implementation: role of outcome and behavioural mechanisms.

Supereruption doublet at a climate transition (2021)
Journal Article
Paine, A. R., Wadsworth, F. B., & Baldini, J. U. (2021). Supereruption doublet at a climate transition. Communications Earth & Environment, 2(1), Article 219. https://doi.org/10.1038/s43247-021-00293-6

Tuning the Bulk and Surface Properties of PDMS Networks through Cross-Linker and Surfactant Concentration (2021)
Journal Article
Litwinowicz, M., Rogers, S., Caruana, A., Kinane, C., Tellam, J., & Thompson, R. (2021). Tuning the Bulk and Surface Properties of PDMS Networks through Cross-Linker and Surfactant Concentration. Macromolecules, 54(20), https://doi.org/10.1021/acs.macromol.1c01600

The elastic modulus and hydrophilicity of cross-linked poly(dimethylsiloxane) (PDMS) are tunable via cross-linker concentration and the addition of a simple surfactant, C12E4, before curing. However, the surfactant concentration, [C12E4], reduces the... Read More about Tuning the Bulk and Surface Properties of PDMS Networks through Cross-Linker and Surfactant Concentration.

Rheology of three-phase suspensions determined via dam-break experiments (2021)
Journal Article
Birnbaum, J., Lev, E., & Llewellin, E. W. (2021). Rheology of three-phase suspensions determined via dam-break experiments. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 477(2254), Article 20210394. https://doi.org/10.1098/rspa.2021.0394

Three-phase suspensions, of liquid that suspends dispersed solid particles and gas bubbles, are common in both natural and industrial settings. Their rheology is poorly constrained, particularly for high total suspended fractions (0.5). We use a dam-... Read More about Rheology of three-phase suspensions determined via dam-break experiments.

Differing Impacts of Blended Fullerene Acceptors on the Performance of Ternary Organic Solar Cells (2021)
Journal Article
Palacios-Gómez, D. A., Huerta Flores, A. M., MacKenzie, R. C., Pearson, C., Alanazi, F., Mendis, B. G., & Groves, C. (2021). Differing Impacts of Blended Fullerene Acceptors on the Performance of Ternary Organic Solar Cells. ACS Applied Energy Materials, 4(10), 10867-10876. https://doi.org/10.1021/acsaem.1c01833

Organic photovoltaic (OPV) devices offer the ability to tune the electronic and optical properties of the active layer by selection of a wide range of molecules; however, their power conversion efficiencies currently lag other competing photovoltaic... Read More about Differing Impacts of Blended Fullerene Acceptors on the Performance of Ternary Organic Solar Cells.

Water-Resistant Surface Modification of Hydrophobic Polymers with Water-Soluble Surfactant Additives (2021)
Journal Article
Gibson, C. P., Litwinowicz, M. A., Tellam, J. P., Welbourn, R. J., Skoda, M. W., Claussen, J., & Thompson, R. L. (2021). Water-Resistant Surface Modification of Hydrophobic Polymers with Water-Soluble Surfactant Additives. Polymers, 13(19), Article 3407. https://doi.org/10.3390/polym13193407

Water-soluble nonionic surfactant, pentaethylene glycol monododecyl ether, C12E5 , spontaneously blooms to the surface of spin-cast hydrophobic polyisoprenes, generating hydrophilic surfaces. This system provides a simple model for hydrophilic chemic... Read More about Water-Resistant Surface Modification of Hydrophobic Polymers with Water-Soluble Surfactant Additives.

Real-time tracking of ionic nano-domains under shear flow (2021)
Journal Article
Cafolla, C., & Voïtchovsky, K. (2021). Real-time tracking of ionic nano-domains under shear flow. Scientific Reports, 11, Article 19540. https://doi.org/10.1038/s41598-021-98137-y

The behaviour of ions at solid–liquid interfaces underpins countless phenomena, from the conduction of nervous impulses to charge transfer in solar cells. In most cases, ions do not operate as isolated entities, but in conjunction with neighbouring i... Read More about Real-time tracking of ionic nano-domains under shear flow.

Evaporation of a thin droplet in a shallow well: theory and experiment (2021)
Journal Article
D'Ambrosio, H., Colosimo, T., Duffy, B., Wilson, S., Yang, L., Bain, C., & Walker, D. (2021). Evaporation of a thin droplet in a shallow well: theory and experiment. Journal of Fluid Mechanics, 927, Article A43. https://doi.org/10.1017/jfm.2021.772

Motivated by the industrial manufacture of OLED displays, we formulate and analyse a mathematical model for the evolution of a thin droplet in a shallow axisymmetric well of rather general shape both before and after touchdown that accounts for the s... Read More about Evaporation of a thin droplet in a shallow well: theory and experiment.

Development of a flexure-based nano-actuator for high-frequency in-plane directional sensing with atomic force microscopy (2021)
Journal Article
Payam, A., Piantanida, L., & Voïtchovsky, K. (2021). Development of a flexure-based nano-actuator for high-frequency in-plane directional sensing with atomic force microscopy. Review of Scientific Instruments, 92(9), Article 093703. https://doi.org/10.1063/5.0057032

Scanning probe microscopies typically rely on the high-precision positioning of a nanoscale probe in order to gain local information about the properties of a sample. At a given location, the probe is used to interrogate a minute region of the sample... Read More about Development of a flexure-based nano-actuator for high-frequency in-plane directional sensing with atomic force microscopy.

Biphasic epoxy-ionic liquid structural electrolytes: minimising feature size through cure cycle and multifunctional block-copolymer addition (2021)
Journal Article
Wendong, Q., Dent, J., Arrighi, V., Cavalcanti, L., Shaffer, M. S., & Shirshova, N. (2021). Biphasic epoxy-ionic liquid structural electrolytes: minimising feature size through cure cycle and multifunctional block-copolymer addition. Multifunctional materials, 4(3), Article 035003. https://doi.org/10.1088/2399-7532/ac1ea7

Structural electrolytes provide mechanical properties approaching structural resin combined with a high degree of ionic conductivity. Here, structural electrolytes based on bisphenol A diglycidyl ether and the ionic liquid 1-ethyl-3-methylimidazolium... Read More about Biphasic epoxy-ionic liquid structural electrolytes: minimising feature size through cure cycle and multifunctional block-copolymer addition.

Tailoring the multistability of origami-inspired, buckled magnetic structures via compression and creasing (2021)
Journal Article
Li, Y., Avis, S. J., Zhang, T., Kusumaatmaja, H., & Wang, X. (2021). Tailoring the multistability of origami-inspired, buckled magnetic structures via compression and creasing. Materials Horizons, 8(12), 3324-3333. https://doi.org/10.1039/d1mh01152a

Origami-inspired multistable structures are gaining increasing interest because of their potential applications in fields ranging from deployable structures to reconfigurable microelectronics. The multistability of such structures is critical for the... Read More about Tailoring the multistability of origami-inspired, buckled magnetic structures via compression and creasing.

Wetting of phase-separated droplets on plant vacuole membranes leads to a competition between tonoplast budding and nanotube formation (2021)
Journal Article
Kusumaatmaja, H., May, A. I., Feeney, M., McKenna, J. F., Mizushima, N., Frigerio, L., & Knorr, R. L. (2021). Wetting of phase-separated droplets on plant vacuole membranes leads to a competition between tonoplast budding and nanotube formation. Proceedings of the National Academy of Sciences, 118(36), Article e2024109118. https://doi.org/10.1073/pnas.2024109118

Seeds of dicotyledonous plants store proteins in dedicated membrane-bounded organelles called protein storage vacuoles (PSVs). Formed during seed development through morphological and functional reconfiguration of lytic vacuoles in embryos [M. Feeney... Read More about Wetting of phase-separated droplets on plant vacuole membranes leads to a competition between tonoplast budding and nanotube formation.

Automated Coarse-Grained Mapping Algorithm for the Martini Force Field and Benchmarks for Membrane–Water Partitioning (2021)
Journal Article
Potter, T. D., Barrett, E. L., & Miller, M. A. (2021). Automated Coarse-Grained Mapping Algorithm for the Martini Force Field and Benchmarks for Membrane–Water Partitioning. Journal of Chemical Theory and Computation, 17(9), 5777-5791. https://doi.org/10.1021/acs.jctc.1c00322

With a view to high-throughput simulations, we present an automated system for mapping and parameterizing organic molecules for use with the coarse-grained Martini force field. The method scales to larger molecules and a broader chemical space than e... Read More about Automated Coarse-Grained Mapping Algorithm for the Martini Force Field and Benchmarks for Membrane–Water Partitioning.

Intracellular wetting mediates contacts between liquid compartments and membrane-bound organelles (2021)
Journal Article
Kusumaatmaja, H., May, A. I., & Knorr, R. L. (2021). Intracellular wetting mediates contacts between liquid compartments and membrane-bound organelles. Journal of Cell Biology, 220(10), Article e202103175. https://doi.org/10.1083/jcb.202103175

Protein-rich droplets, such as stress granules, P-bodies, and the nucleolus, perform diverse and specialized cellular functions. Recent evidence has shown the droplets, which are also known as biomolecular condensates or membrane-less compartments, f... Read More about Intracellular wetting mediates contacts between liquid compartments and membrane-bound organelles.

Apparent contact angle of drops on liquid infused surfaces: geometric interpretation (2021)
Journal Article
Semprebon, C., Sadullah, M. S., McHale, G., & Kusumaatmaja, H. (2021). Apparent contact angle of drops on liquid infused surfaces: geometric interpretation. Soft Matter, 17(42), 9553-9559. https://doi.org/10.1039/d1sm00704a

We theoretically investigate the apparent contact angle of drops on liquid infused surfaces as a function of the relative size of the wetting ridge and the deposited drop. We provide an intuitive geometrical interpretation whereby the variation in th... Read More about Apparent contact angle of drops on liquid infused surfaces: geometric interpretation.

Variants in PAX6, PITX3 and HSF4 causing autosomal dominant congenital cataracts (2021)
Journal Article
Berry, V., Ionides, A., Pontikos, N., Moore, A. T., Quinlan, R. A., & Michaelides, M. (2022). Variants in PAX6, PITX3 and HSF4 causing autosomal dominant congenital cataracts. Eye, 36(8), 1694-1701. https://doi.org/10.1038/s41433-021-01711-x

Background: Lens development is orchestrated by transcription factors. Disease-causing variants in transcription factors and their developmental target genes are associated with congenital cataracts and other eye anomalies. Methods: Using whole exome... Read More about Variants in PAX6, PITX3 and HSF4 causing autosomal dominant congenital cataracts.

Crystal Habit Modification of Metronidazole by Supramolecular Gels with Complementary Functionality (2021)
Journal Article
Jayabhavan, S. S., Steed, J. W., & Damodaran, K. K. (2021). Crystal Habit Modification of Metronidazole by Supramolecular Gels with Complementary Functionality. Crystal Growth and Design, 21(9), 5383-5393. https://doi.org/10.1021/acs.cgd.1c00659

A series of bis(urea) compounds with complementary functional groups similar to the pharmaceutical drug metronidazole and a structural isomer isometronidazole have been synthesized. The gelation properties of these compounds were studied in various s... Read More about Crystal Habit Modification of Metronidazole by Supramolecular Gels with Complementary Functionality.