All Outputs (1442)

Skeletal Editing: Interconversion of Arenes and Heteroarenes (2023)
Journal Article
Joynson, B. W., & Ball, L. T. (2023). Skeletal Editing: Interconversion of Arenes and Heteroarenes. Helvetica Chimica Acta, 106(3), Article e202200182. https://doi.org/10.1002/hlca.202200182

Skeletal editing involves making specific point-changes to the core of a molecule through the selective insertion, deletion or exchange of atoms. It thus represents a potentially powerful strategy for the step-economic modification of complex substra... Read More about Skeletal Editing: Interconversion of Arenes and Heteroarenes.

Low-Dimensional Metal-Organic Magnets as a Route toward the S = 2 Haldane Phase (2023)
Journal Article
Pitcairn, J., Iliceto, A., Cañadillas-Delgado, L., Fabelo, O., Liu, C., Balz, C., …Cliffe, M. J. (2023). Low-Dimensional Metal-Organic Magnets as a Route toward the S = 2 Haldane Phase. Journal of the American Chemical Society, 145(3), 1783-1792. https://doi.org/10.1021/jacs.2c10916

Metal-organic magnets (MOMs), modular magnetic materials where metal atoms are connected by organic linkers, are promising candidates for next-generation quantum technologies. MOMs readily form low-dimensional structures and so are ideal systems to r... Read More about Low-Dimensional Metal-Organic Magnets as a Route toward the S = 2 Haldane Phase.

Oxidation of Monoterpenes to Form Diols and Triols: A Versatile Toolbox for Polymer Synthesis (2023)
Journal Article
Fowler, H. R., O'Brien, D. M., Keddie, D. J., Alexander, C., Irvine, D. J., Stockman, R. A., …Taresco, V. (2023). Oxidation of Monoterpenes to Form Diols and Triols: A Versatile Toolbox for Polymer Synthesis. Macromolecular Chemistry and Physics, 224(8), Article 2200446. https://doi.org/10.1002/macp.202200446

Polyols and polyacrylates have a wide range of applications in polymer synthesis as monomers, initiators, or building blocks in a variety of polymerization reaction types. With an ever-growing need to reduce the global dependency on fossil fuels, fin... Read More about Oxidation of Monoterpenes to Form Diols and Triols: A Versatile Toolbox for Polymer Synthesis.

Predictive Molecular Design and Structure–Property Validation of Novel Terpene-Based, Sustainably Sourced Bacterial Biofilm-Resistant Materials (2023)
Journal Article
Cuzzucoli Crucitti, V., Ilchev, A., Moore, J. C., Fowler, H. R., Dubern, J., Sanni, O., …Irvine, D. J. (2023). Predictive Molecular Design and Structure–Property Validation of Novel Terpene-Based, Sustainably Sourced Bacterial Biofilm-Resistant Materials. Biomacromolecules, https://doi.org/10.1021/acs.biomac.2c00721

Presented in this work is the use of a molecular descriptor, termed the α parameter, to aid in the design of a series of novel, terpene-based, and sustainable polymers that were resistant to biofilm formation by the model bacterial pathogen Pseudomon... Read More about Predictive Molecular Design and Structure–Property Validation of Novel Terpene-Based, Sustainably Sourced Bacterial Biofilm-Resistant Materials.

Highly electron deficient diketopyrrolopyrroles (2023)
Journal Article
Humphreys, J., Malagreca, F., Hume, P. A., Davies, E. S., Argent, S. P., Bradshaw, T. D., & Amabilino, D. B. (2023). Highly electron deficient diketopyrrolopyrroles. Chemical Communications, 59(12), 1613-1616. https://doi.org/10.1039/d2cc06770f

The synthesis, spectroelectrochemical and structural characteristics of highly electron-accepting diketopyrrrolopyrrole (DPP) molecules with adjoining pyridinium rings is reported, along with an assessment of their toxicity, which is apparently low.... Read More about Highly electron deficient diketopyrrolopyrroles.

Host–Guest Chemistry in Boron Nitride Nanotubes: Interactions with Polyoxometalates and Mechanism of Encapsulation (2022)
Journal Article
Jordan, J. W., Chernov, A. I., Rance, G. A., Stephen Davies, E., Lanterna, A. E., Alves Fernandes, J., …Khlobystov, A. N. (2023). Host–Guest Chemistry in Boron Nitride Nanotubes: Interactions with Polyoxometalates and Mechanism of Encapsulation. Journal of the American Chemical Society, 145(2), 1206-1215. https://doi.org/10.1021/jacs.2c10961

Boron nitride nanotubes (BNNTs) are an emerging class of molecular container offering new functionalities and possibilities for studying molecules at the nanoscale. Herein, BNNTs are demonstrated as highly effective nanocontainers for polyoxometalate... Read More about Host–Guest Chemistry in Boron Nitride Nanotubes: Interactions with Polyoxometalates and Mechanism of Encapsulation.

Effect of sweeteners and carbonation on aroma partitioning and release in beverage systems (2022)
Journal Article
Yeo, H., Linforth, R., MacNaughtan, W., Williams, H., Hewson, L., & Fisk, I. D. (2023). Effect of sweeteners and carbonation on aroma partitioning and release in beverage systems. Food Research International, 164, Article 112373. https://doi.org/10.1016/j.foodres.2022.112373

The effect of monosaccharides (glucose, fructose and galactose) and disaccharides (sucrose and lactose) at 10, 20 and 30 % w/v on the in-vitro aroma partitioning of C - C aldehydes and ethyl esters, as well as limonene (concentration of aroma compo... Read More about Effect of sweeteners and carbonation on aroma partitioning and release in beverage systems.

Comparative analysis of protein expression systems and PTM landscape in the study of transcription factor ELK-1 (2022)
Journal Article
Ducker, C., Ratnam, M., Shaw, P. E., & Layfield, R. (2023). Comparative analysis of protein expression systems and PTM landscape in the study of transcription factor ELK-1. Protein Expression and Purification, 203, Article 106216. https://doi.org/10.1016/j.pep.2022.106216

Post-translational modifications (PTMs) are important for protein folding and activity, and the ability to recreate physiologically relevant PTM profiles on recombinantly-expressed proteins is vital for meaningful functional analysis. The ETS transcr... Read More about Comparative analysis of protein expression systems and PTM landscape in the study of transcription factor ELK-1.

Understanding ground and excited-state molecular structure in strong magnetic fields using the maximum overlap method (2022)
Journal Article
Wibowo, M., Huynh, B. C., Cheng, C. Y., Irons, T. J. P., & Teale, A. M. (2022). Understanding ground and excited-state molecular structure in strong magnetic fields using the maximum overlap method. Molecular Physics, Article e2152748. https://doi.org/10.1080/00268976.2022.2152748

The maximum overlap method (MOM) provides a simple but powerful approach for performing calculations on excited states by targeting solutions with non-Aufbau occupations from a reference set of molecular orbitals. In this work, the MOM is used to acc... Read More about Understanding ground and excited-state molecular structure in strong magnetic fields using the maximum overlap method.

meta-Selective C–H arylation of phenols via regiodiversion of electrophilic aromatic substitution (2022)
Journal Article
Senior, A., Ruffell, K., & Ball, L. T. (2022). meta-Selective C–H arylation of phenols via regiodiversion of electrophilic aromatic substitution. Nature Chemistry, https://doi.org/10.1038/s41557-022-01101-0

Electrophilic aromatic substitution is among the most widely used mechanistic manifolds in organic chemistry. Access to certain substitution patterns is, however, precluded by intrinsic and immutable substituent effects that ultimately restrict the d... Read More about meta-Selective C–H arylation of phenols via regiodiversion of electrophilic aromatic substitution.

Microporous metallic scaffolds supported liquid infused icephobic construction (2022)
Journal Article
Wu, M., Wang, J., Ling, S., Wheatley, R., & Hou, X. (2023). Microporous metallic scaffolds supported liquid infused icephobic construction. Journal of Colloid and Interface Science, 634, 369-378. https://doi.org/10.1016/j.jcis.2022.12.034

Hypothesis: Ice accretion on component surfaces often causes severe impacts or accidents. Liquid-infused surfaces (LIS) have drawn much attention as icephobic materials for ice mitigation in recent years due to their outstanding icephobicity. However... Read More about Microporous metallic scaffolds supported liquid infused icephobic construction.

Reactions of polyaromatic molecules in crystals under electron beam of the transmission electron microscope (2022)
Journal Article
Fung, K. L., Weare, B. L., Fay, M. W., Argent, S. P., & Khlobystov, A. N. (2023). Reactions of polyaromatic molecules in crystals under electron beam of the transmission electron microscope. Micron, 165, Article 103395. https://doi.org/10.1016/j.micron.2022.103395

Reactivity of a series of related molecules under the 80 keV electron beam have been investigated and correlated with their structures and chemical composition. Hydrogenated and halogenated derivatives of hexaazatrinaphthylene, coronene, and phthaloc... Read More about Reactions of polyaromatic molecules in crystals under electron beam of the transmission electron microscope.

Glycosylated proteins in the protozoan alga Euglena gracilis: a proteomic approach (2022)
Journal Article
O'Neill, E. C. (2023). Glycosylated proteins in the protozoan alga Euglena gracilis: a proteomic approach. FEMS Microbiology Letters, 370, Article fnac120. https://doi.org/10.1093/femsle/fnac120

Protein glycosylation, and in particular N-linked glycans, is a hallmark of eukaryotic cells and has been well-studied in mammalian cells and parasites. However, little research has been conducted to investigate the conservation and variation of prot... Read More about Glycosylated proteins in the protozoan alga Euglena gracilis: a proteomic approach.

Nanostructured, Alkaline Titanate‐Converted, and Heat‐Treated Ti6Al4V Microspheres via Wet‐Chemical Alkaline Modification and their ORR Electrocatalytic Response (2022)
Journal Article
Wadge, M. D., Bird, M. A., Sankowski, A., Constantin, H., Fay, M. W., Cooper, T. P., …Grant, D. M. (2023). Nanostructured, Alkaline Titanate‐Converted, and Heat‐Treated Ti6Al4V Microspheres via Wet‐Chemical Alkaline Modification and their ORR Electrocatalytic Response. Advanced Materials Interfaces, 10(5), Article 2201523. https://doi.org/10.1002/admi.202201523

This study describes the chemical conversion and heat treatment of Ti6Al4V microspheres (Ti6_MS), and the resulting effects on their electrocatalytic properties. The wet-chemical conversion (5.0m NaOH, 60°C, 24h; Sample label: Ti6_TC) converts the to... Read More about Nanostructured, Alkaline Titanate‐Converted, and Heat‐Treated Ti6Al4V Microspheres via Wet‐Chemical Alkaline Modification and their ORR Electrocatalytic Response.

Design, and synthesis of selectively anticancer 4-cyanophenyl substituted thiazol-2-ylhydrazones (2022)
Journal Article
Mehmood, H., Musa, M., Woodward, S., Hossan, M. S., Bradshaw, T. D., Haroon, M., …Akhtar, T. (2022). Design, and synthesis of selectively anticancer 4-cyanophenyl substituted thiazol-2-ylhydrazones. RSC Advances, 12(52), 34126-34141. https://doi.org/10.1039/d2ra03226k

Cyclization of substituted thiosemicarbazones with α-bromo-4-cyanoacetophenone allows rapid single-step sustainable syntheses of 4-cyanophenyl-2-hydrazinylthiazoles libraries (30 examples, 66–79%). All show anticancer efficacy against HCT-116 and MCF... Read More about Design, and synthesis of selectively anticancer 4-cyanophenyl substituted thiazol-2-ylhydrazones.

Molecular charge distributions in strong magnetic fields: a conceptual and current DFT study (2022)
Journal Article
Irons, T. J. P., Huynh, B. C., Teale, A. M., De Proft, F., & Geerlings, P. (2022). Molecular charge distributions in strong magnetic fields: a conceptual and current DFT study. Molecular Physics, https://doi.org/10.1080/00268976.2022.2145245

The effect of strong magnetic fields on the charge distribution of the hydrogen halides, H2O and NH3 is studied in the context of recent extensions of conceptual density functional theory to include additional variables such as external magnetic fiel... Read More about Molecular charge distributions in strong magnetic fields: a conceptual and current DFT study.

Development of nanoparticle loaded microneedles for drug delivery to a brain tumour resection site (2022)
Journal Article
Muresan, P., McCrorie, P., Smith, F., Vasey, C., Taresco, V., Scurr, D. J., …Marlow, M. (2023). Development of nanoparticle loaded microneedles for drug delivery to a brain tumour resection site. European Journal of Pharmaceutics and Biopharmaceutics, 182, 53-61. https://doi.org/10.1016/j.ejpb.2022.11.016

Systemic drug delivery to the central nervous system (CNS) has been historically impeded by the presence of the blood brain barrier rendering many therapies inefficacious to any cancer cells residing within the brain. Therefore, local drug delivery s... Read More about Development of nanoparticle loaded microneedles for drug delivery to a brain tumour resection site.

SirA inhibits the essential DnaA:DnaD interaction to block helicase recruitment during Bacillus subtilis sporulation (2022)
Journal Article
Winterhalter, C., Stevens, D., Fenyk, S., Pelliciari, S., Marchand, E., Soultanas, P., …Murray, H. (2023). SirA inhibits the essential DnaA:DnaD interaction to block helicase recruitment during Bacillus subtilis sporulation. Nucleic Acids Research, 51(9), 4302-4321. https://doi.org/10.1093/nar/gkac1060

Bidirectional DNA replication from a chromosome origin requires the asymmetric loading of two helicases, one for each replisome. Our understanding of the molecular mechanisms underpinning helicase loading at bacterial chromosome origins is incomplete... Read More about SirA inhibits the essential DnaA:DnaD interaction to block helicase recruitment during Bacillus subtilis sporulation.

An Embedded Fragment Method for Molecules in Strong Magnetic Fields (2022)
Journal Article
Speake, B. T., Irons, T. J. P., Wibowo, M., Johnson, A. G., David, G., & Teale, A. M. (2022). An Embedded Fragment Method for Molecules in Strong Magnetic Fields. Journal of Chemical Theory and Computation, 18(12), 7412-7427. https://doi.org/10.1021/acs.jctc.2c00865

An extension of the embedded fragment method for calculations on molecular clusters is presented, which includes strong external magnetic fields. The approach is flexible, allowing for calculations at the Hartree-Fock, current-density-functional theo... Read More about An Embedded Fragment Method for Molecules in Strong Magnetic Fields.

Euglena International Network (EIN): Driving euglenoid biotechnology for the benefit of a challenged world (2022)
Journal Article
Ebenezer, T. G. E., Low, R. S., O'Neill, E. C., Huang, I., DeSimone, A., Farrow, S. C., …Field, M. C. (2022). Euglena International Network (EIN): Driving euglenoid biotechnology for the benefit of a challenged world. Biology Open, 11(11), Article 059561. https://doi.org/10.1242/bio.059561

Euglenoids (Euglenida) are unicellular flagellates possessing exceptionally wide geographical and ecological distribution. Euglenoids combine a biotechnological potential with a unique position in the eukaryotic tree of life. In large part these micr... Read More about Euglena International Network (EIN): Driving euglenoid biotechnology for the benefit of a challenged world.