All Outputs (1450)

One-dimensional alignment of defects in a flexible metal-organic framework (2023)
Journal Article
Fu, Y., Forse, A. C., Kang, Z., Cliffe, M. J., Cao, W., Yin, J., …Kong, X. (2023). One-dimensional alignment of defects in a flexible metal-organic framework. Science Advances, 9(6), Article eade6975. https://doi.org/10.1126/sciadv.ade6975

Crystalline materials are often considered to have rigid periodic lattices, while soft materials are associated with flexibility and nonperiodicity. The continuous evolution of metal-organic frameworks (MOFs) has erased the boundaries between these t... Read More about One-dimensional alignment of defects in a flexible metal-organic framework.

Electronic Structure and Photoactivity of Organoarsenic Hybrid Polyoxometalates (2023)
Journal Article
Kibler, A. J., Tsang, N., Winslow, M., Argent, S. P., Lam, H. W., Robinson, D., & Newton, G. N. (2023). Electronic Structure and Photoactivity of Organoarsenic Hybrid Polyoxometalates. Inorganic Chemistry, 62(8), 3585-3591. https://doi.org/10.1021/acs.inorgchem.2c04249

Organofunctionalization of polyoxometalates (POMs) allows the preparation of hybrid molecular systems with tunable electronic properties. Currently, there are only a handful of approaches that allow for the fine-tuning of POM frontier molecular orbit... Read More about Electronic Structure and Photoactivity of Organoarsenic Hybrid Polyoxometalates.

Polarity Transduction Enables the Formal Electronically Mismatched Radical Addition to Alkenes (2023)
Journal Article
Paul, S., Filippini, D., & Silvi, M. (2023). Polarity Transduction Enables the Formal Electronically Mismatched Radical Addition to Alkenes. Journal of the American Chemical Society, 145(5), 2773-2778. https://doi.org/10.1021/jacs.2c12699

The formation of carbon-carbon bonds via the intermolecular addition of alkyl radicals to alkenes is a cornerstone of organic chemistry and plays a central role in synthesis. However, unless specific electrophilic radicals are involved, polarity matc... Read More about Polarity Transduction Enables the Formal Electronically Mismatched Radical Addition to Alkenes.

Time-resolved chiral x-ray photoelectron spectroscopy with enhanced atomic site-selectivity: a Free Electron Laser investigation of electronically excited fenchome enantiomers (2023)
Journal Article
Facciala, D., Devetta, M., Beauvarlet, S., Besley, N., Calegari, F., Callegari, C., …Vozzi, C. (2023). Time-resolved chiral x-ray photoelectron spectroscopy with enhanced atomic site-selectivity: a Free Electron Laser investigation of electronically excited fenchome enantiomers. Physical Review X, 13(1), Article 011044. https://doi.org/10.1103/PhysRevX.13.011044

Chirality is widespread in nature, playing a fundamental role in biochemical processes and in the origin of life itself. The observation of dynamics in chiral molecules is crucial for the understanding and control of the chiral activity of photoexcit... Read More about Time-resolved chiral x-ray photoelectron spectroscopy with enhanced atomic site-selectivity: a Free Electron Laser investigation of electronically excited fenchome enantiomers.

Interaction of human HelQ with DNA polymerase delta halts DNA synthesis and stimulates DNA single-strand annealing (2023)
Journal Article
He, L., Lever, R., Cubbon, A., Tehseen, M., Jenkins, T., Nottingham, A. O., …Bolt, E. L. (2023). Interaction of human HelQ with DNA polymerase delta halts DNA synthesis and stimulates DNA single-strand annealing. Nucleic Acids Research, 51(4), 1740-1749. https://doi.org/10.1093/nar/gkad032

DNA strand breaks are repaired by DNA synthesis from an exposed DNA end paired with a homologous DNA template. DNA polymerase delta (Pol δ) catalyses DNA synthesis in multiple eukaryotic DNA break repair pathways but triggers genome instability unles... Read More about Interaction of human HelQ with DNA polymerase delta halts DNA synthesis and stimulates DNA single-strand annealing.

A Scalable Synthesis of Chiral Himbert Diene Ligands for Asymmetric Catalysis (2023)
Journal Article
Rit, R., Li, H., Argent, S. P., Wheelhouse, K. M., Woodward, S., & Lam, H. W. (2023). A Scalable Synthesis of Chiral Himbert Diene Ligands for Asymmetric Catalysis. Advanced Synthesis and Catalysis, 365(10), 1629-1639. https://doi.org/10.1002/adsc.202300039

Chiral dienes are important ligands in asymmetric catalysis but they are less accessible than other commonly used ligands such as chiral bisphosphines. Here, we show that intramolecular [4 + 2] cycloaddition of a simply attained chiral allenecarboxan... Read More about A Scalable Synthesis of Chiral Himbert Diene Ligands for Asymmetric Catalysis.

The anticancer and EGFR-TK/CDK-9 dual inhibitory potentials of new synthetic pyranopyrazole and pyrazolone derivatives: X-ray crystallography, in vitro, and in silico mechanistic investigations (2023)
Journal Article
Musa, A., Ihmaid, S. K., Hughes, D. L., Said, M. A., Abulkhair, H. S., El-Ghorab, A. H., …El-Agrody, A. M. (2023). The anticancer and EGFR-TK/CDK-9 dual inhibitory potentials of new synthetic pyranopyrazole and pyrazolone derivatives: X-ray crystallography, in vitro, and in silico mechanistic investigations. Journal of Biomolecular Structure and Dynamics, https://doi.org/10.1080/07391102.2023.2167000

Treatment options for the management of breast cancer are still inadequate. This inadequacy is attributed to the lack of effective targeted medications, often resulting in the recurrence of metastatic disorders. Cumulative evidence suggests that epid... Read More about The anticancer and EGFR-TK/CDK-9 dual inhibitory potentials of new synthetic pyranopyrazole and pyrazolone derivatives: X-ray crystallography, in vitro, and in silico mechanistic investigations.

Self-Assembled Surfactant-Polyoxovanadate Soft Materials as Tuneable Vanadium Oxide Cathode Precursors for Lithium-Ion Batteries (2023)
Journal Article
McNulty, R. C., Penston, K., Amin, S. S., Stal, S., Lee, J. Y., Samperi, M., …Newton, G. N. (2023). Self-Assembled Surfactant-Polyoxovanadate Soft Materials as Tuneable Vanadium Oxide Cathode Precursors for Lithium-Ion Batteries. Angewandte Chemie International Edition, 62(12), Article e202216066. https://doi.org/10.1002/anie.202216066

The mixing of [V10O28]6− decavanadate anions with a dicationic gemini surfactant (gem) leads to the spontaneous self-assembly of surfactant-templated nanostructured arrays of decavanadate clusters. Calcination of the material under air yields highly... Read More about Self-Assembled Surfactant-Polyoxovanadate Soft Materials as Tuneable Vanadium Oxide Cathode Precursors for Lithium-Ion Batteries.

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.

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.