All Outputs (1512)

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.

Phase Transformation Driven by Oxygen Vacancy Redistribution as the Mechanism of Ferroelectric Hf0.5Zr0.5O2 Fatigue (2024)
Journal Article
Zhang, Z., Craig, I., Zhou, T., Holt, M., Flores, R., Sheridan, E., Inzani, K., Huang, X., Nag, J., Prasad, B., Griffin, S. M., & Ramesh, R. (2024). Phase Transformation Driven by Oxygen Vacancy Redistribution as the Mechanism of Ferroelectric Hf0.5Zr0.5O2 Fatigue. Advanced Electronic Materials, Article 2300877. https://doi.org/10.1002/aelm.202300877

As a promising candidate for nonvolatile memory devices, the hafnia-based ferroelectric system has recently been a hot research topic. Although significant progress has been made over the past decade, the endurance problem is still an obstacle to its... Read More about Phase Transformation Driven by Oxygen Vacancy Redistribution as the Mechanism of Ferroelectric Hf0.5Zr0.5O2 Fatigue.

Benzene-1,2,4,5-tetrol (2024)
Journal Article
Weare, B. L., Hoggett, S., Cull, W. J., Argent, S. P., Khlobystov, A. N., & Brown, P. D. (2024). Benzene-1,2,4,5-tetrol. IUCrData, 9(6), Article x240612. https://doi.org/10.1107/S2414314624006126

The crystal structure of the title compound was determined at 120 K. It crystallizes in the triclinic space group P\overline{1} with four independent molecules in the asymmetric unit. In the crystal, each symmetry-unique molecule forms π–π stacks on... Read More about Benzene-1,2,4,5-tetrol.

Direct formation of copper nanoparticles from atoms at graphitic step edges lowers overpotential and improves selectivity of electrocatalytic CO2 reduction (2024)
Journal Article
Burwell, T., Thangamuthu, M., Aliev, G. N., Ghaderzadeh, S., Kohlrausch, E. C., Chen, Y., Theis, W., Norman, L. T., Alves Fernandes, J., Besley, E., Licence, P., & Khlobystov, A. N. (2024). Direct formation of copper nanoparticles from atoms at graphitic step edges lowers overpotential and improves selectivity of electrocatalytic CO2 reduction. Communications Chemistry, 7(1), Article 140. https://doi.org/10.1038/s42004-024-01218-y

A key strategy for minimizing our reliance on precious metals is to increase the fraction of surface atoms and improve the metal-support interface. In this work, we employ a solvent/ligand/counterion-free method to deposit copper in the atomic form d... Read More about Direct formation of copper nanoparticles from atoms at graphitic step edges lowers overpotential and improves selectivity of electrocatalytic CO2 reduction.

Total synthesis, biological evaluation and biosynthetic re-evaluation of Illicium-derived neolignans (2024)
Journal Article
Arnold, R. E., Saska, J., Mesquita-Ribeiro, R., Dajas-Bailador, F., Taylor, L., Lewis, W., Argent, S., Shao, H., Houk, K. N., & Denton, R. M. (2024). Total synthesis, biological evaluation and biosynthetic re-evaluation of Illicium-derived neolignans. Chemical Science, 15(30), 11783-11793. https://doi.org/10.1039/d4sc03232b

We report the first total syntheses of simonsol F (3), simonsinol (5), fargenin (4), and macranthol (6) in addition to syntheses of simonsol C (2), simonsol G (1), and honokiol (14). The syntheses are based upon a phosphonium ylide-mediated cascade r... Read More about Total synthesis, biological evaluation and biosynthetic re-evaluation of Illicium-derived neolignans.

Artificial intelligence for small molecule anticancer drug discovery (2024)
Journal Article
Duo, L., Liu, Y., Ren, J., Tang, B., & Hirst, J. D. (2024). Artificial intelligence for small molecule anticancer drug discovery. Expert Opinion on Drug Discovery, 19(8), 933-948. https://doi.org/10.1080/17460441.2024.2367014

Introduction: The transition from conventional cytotoxic chemotherapy to targeted cancer therapy with small-molecule anticancer drugs has enhanced treatment outcomes. This approach, which now dominates cancer treatment, has several advantages. Despit... Read More about Artificial intelligence for small molecule anticancer drug discovery.

Valence shell electronically excited states of 1-phenylimidazole and 1-benzylimidazole (2024)
Journal Article
Powis, I., Shaw, D. A., Townsend, D., & Holland, D. M. P. (2024). Valence shell electronically excited states of 1-phenylimidazole and 1-benzylimidazole. Molecular Physics, https://doi.org/10.1080/00268976.2024.2353878

The valence shell electronically excited states of 1-phenylimidazole and 1-benzylimidazole have been studied by employing synchrotron radiation to measure the absolute photoabsorption cross-section of each molecule, from threshold up to an energy of... Read More about Valence shell electronically excited states of 1-phenylimidazole and 1-benzylimidazole.

2,2-Difluoroethylation of heteroatom nucleophiles via a hypervalent iodine strategy (2024)
Preprint / Working Paper
Das, S., McIvor, C., Greener, A., Suwita, C., Argent, S., & O'Duill, M. 2,2-Difluoroethylation of heteroatom nucleophiles via a hypervalent iodine strategy

The 2,2-difluoroethyl group is an important lipophilic hydrogen bond donor in medicinal chemistry, but its incorporation into small molecules is often challenging. Herein, we demonstrate electrophilic 2,2 difluoroethylation of thiol, amine and alcoho... Read More about 2,2-Difluoroethylation of heteroatom nucleophiles via a hypervalent iodine strategy.

Cubic double perovskites host noncoplanar spin textures (2024)
Journal Article
Paddison, J. A., Zhang, H., Yan, J., Cliffe, M. J., McGuire, M. A., Do, S. H., Gao, S., Stone, M. B., Dahlbom, D., Barros, K., Batista, C. D., & Christianson, A. D. (2024). Cubic double perovskites host noncoplanar spin textures. npj Quantum Materials, 9(1), Article 48. https://doi.org/10.1038/s41535-024-00650-6

Magnetic materials with noncoplanar magnetic structures can show unusual physical properties driven by nontrivial topology. Topologically-active states are often multi-q structures, which are challenging to stabilize in models and to identify in mate... Read More about Cubic double perovskites host noncoplanar spin textures.

MRI and PFG NMR studies of percolation effects in advanced melting during a cryoporometry characterisation of disordered mesoporous alumina (2024)
Journal Article
Himona, E., Stevens, L., Williams, H., & Rigby, S. P. (2024). MRI and PFG NMR studies of percolation effects in advanced melting during a cryoporometry characterisation of disordered mesoporous alumina. Microporous and Mesoporous Materials, 377, Article 113202. https://doi.org/10.1016/j.micromeso.2024.113202

Cryoporometry (or thermoporometry) offers a way of pore structural characterisation for mesoporous materials that often needs little sample preparation, is relatively quick, and is statistically-representative for macroscopic samples. While it is wel... Read More about MRI and PFG NMR studies of percolation effects in advanced melting during a cryoporometry characterisation of disordered mesoporous alumina.

Native ESI-MS and Collision-Induced Unfolding (CIU) of the Complex between Bacterial Elongation Factor-Tu and the Antibiotic Enacyloxin IIa (2024)
Journal Article
Baines, C., Sargeant, J., Fage, C. D., Pugh, H., Alkhalaf, L. M., Challis, G. L., & Oldham, N. J. (2024). Native ESI-MS and Collision-Induced Unfolding (CIU) of the Complex between Bacterial Elongation Factor-Tu and the Antibiotic Enacyloxin IIa. Journal of The American Society for Mass Spectrometry, 35(7), 1490-1496. https://doi.org/10.1021/jasms.4c00087

Collision-induced unfolding (CIU) of protein ions, monitored by ion mobility-mass spectrometry, can be used to assess the stability of their compact gas-phase fold and hence provide structural information. The bacterial elongation factor EF-Tu, a key... Read More about Native ESI-MS and Collision-Induced Unfolding (CIU) of the Complex between Bacterial Elongation Factor-Tu and the Antibiotic Enacyloxin IIa.

The biomolecules of Euglena gracilis: Harnessing biology for natural solutions to future problems (2024)
Journal Article
Bedard, S., Roxborough, E., O'Neill, E., & Mangal, V. (2024). The biomolecules of Euglena gracilis: Harnessing biology for natural solutions to future problems. Protist, 175(4), Article 126044. https://doi.org/10.1016/j.protis.2024.126044

Over the past decade, the autotrophic and heterotrophic protist Euglena gracilis (E. gracilis) has gained popularity across the studies of environmental science, biosynthesis experiments, and nutritional substitutes. The unique physiology and versati... Read More about The biomolecules of Euglena gracilis: Harnessing biology for natural solutions to future problems.

Solvent flashcards: a visualisation tool for sustainable chemistry. (2024)
Journal Article
Heeley, J., Boobier, S., & Hirst, J. D. (2024). Solvent flashcards: a visualisation tool for sustainable chemistry. Journal of Cheminformatics, 16(1), Article 60. https://doi.org/10.1186/s13321-024-00854-9

Selecting greener solvents during experiment design is imperative for greener chemistry. While many solvent selection guides are currently used in the pharmaceutical industry, these are often paper-based guides which can make it difficult to identify... Read More about Solvent flashcards: a visualisation tool for sustainable chemistry..

Spectroscopy Unlocked: An Escape Room activity for Introductory Chemistry Courses (2024)
Journal Article
Mahomed, M., Sisodia, L., Williams, D. P., & Villa-Marcos, B. (2024). Spectroscopy Unlocked: An Escape Room activity for Introductory Chemistry Courses. Journal of Chemical Education, 101(6), 2570–2575. https://doi.org/10.1021/acs.jchemed.3c01320

Spectroscopy Unlocked is an escape room activity cocreated by student and staff authors. The escape room presents students with a series of activities that they must complete in the laboratory in order to reveal a series of codes and clues that can b... Read More about Spectroscopy Unlocked: An Escape Room activity for Introductory Chemistry Courses.

Porous isoreticular non-metal organic frameworks (2024)
Journal Article
O’Shaughnessy, M., Glover, J., Hafizi, R., Barhi, M., Clowes, R., Chong, S. Y., …Cooper, A. I. (2024). Porous isoreticular non-metal organic frameworks. Nature, 630(8015), 102-108. https://doi.org/10.1038/s41586-024-07353-9

Metal–organic frameworks (MOFs) are useful synthetic materials that are built by the programmed assembly of metal nodes and organic linkers1. The success of MOFs results from the isoreticular principle2, which allows families of structurally analogou... Read More about Porous isoreticular non-metal organic frameworks.

Nickel‐Catalysed syn‐Selective Arylnickelation and Cyclisation of Ketone/Imine‐Tethered Terminal Alkynes with Arylboronic Acids (2024)
Journal Article
Morgan, D. M., Lam, H. W., & Guiry, P. J. (2024). Nickel‐Catalysed syn‐Selective Arylnickelation and Cyclisation of Ketone/Imine‐Tethered Terminal Alkynes with Arylboronic Acids. European Journal of Organic Chemistry, 27(23), Article e202400445. https://doi.org/10.1002/ejoc.202400445

Herein we report a syn-arylnickelative cyclisation with ketone- and imine-tethered terminal alkynes (16 examples) in yields of up to 89 %. The reaction proceeds via a syn-aryl nickelation of a terminal alkyne followed by cyclisation of the resulting... Read More about Nickel‐Catalysed syn‐Selective Arylnickelation and Cyclisation of Ketone/Imine‐Tethered Terminal Alkynes with Arylboronic Acids.

Zero-valent iron (ZVI) facilitated in-situ selenium (Se) immobilization and its recovery by magnetic separation: Mechanisms and implications for microbial ecology (2024)
Journal Article
Wang, Z., Lü, C., Wang, Y., Gomes, R. L., Clarke, C. J., & Gomes, H. I. (2024). Zero-valent iron (ZVI) facilitated in-situ selenium (Se) immobilization and its recovery by magnetic separation: Mechanisms and implications for microbial ecology. Journal of Hazardous Materials, 473, Article 134591. https://doi.org/10.1016/j.jhazmat.2024.134591

Selenium (Se(VI)) is environmentally toxic. One of the most popular reducing agents for Se(VI) remediation is zero-valent iron (ZVI). However, most ZVI studies were carried out in water matrices, and the recovery of reduced Se has not been investigat... Read More about Zero-valent iron (ZVI) facilitated in-situ selenium (Se) immobilization and its recovery by magnetic separation: Mechanisms and implications for microbial ecology.

Enabling high-fidelity personalised pharmaceutical tablets through multimaterial inkjet 3D printing with a water-soluble excipient (2024)
Journal Article
Rivers, G., Lion, A., Putri, N. R. E., Rance, G. A., Moloney, C., Taresco, V., …He, Y. (2024). Enabling high-fidelity personalised pharmaceutical tablets through multimaterial inkjet 3D printing with a water-soluble excipient. Materials Today Advances, 22, Article 100493. https://doi.org/10.1016/j.mtadv.2024.100493

Additive manufacturing offers manufacture of personalised pharmaceutical tablets through design freedoms and material deposition control at an individual voxel level. This control goes beyond geometry and materials choices: inkjet based 3D printing e... Read More about Enabling high-fidelity personalised pharmaceutical tablets through multimaterial inkjet 3D printing with a water-soluble excipient.

Magnetic structure and properties of the honeycomb antiferromagnet [Na(OH2)3]Mn(NCS)3 (2024)
Journal Article
Geers, M., Gill, T. B., Burnett, A. D., Bassey, E. N., Fabelo, O., Cañadillas-Delgado, L., & Cliffe, M. J. (2024). Magnetic structure and properties of the honeycomb antiferromagnet [Na(OH2)3]Mn(NCS)3. Physical Chemistry Chemical Physics, 26(22), 15844-15849. https://doi.org/10.1039/d4cp01265h

We report the magnetic structure and properties of a thiocyanate-based honeycomb magnet [Na(OH2)3]Mn(NCS)3 which crystallises in the unusual low-symmetry trigonal space group P3̄. Magnetic measurements on powder samples show this material is an antif... Read More about Magnetic structure and properties of the honeycomb antiferromagnet [Na(OH2)3]Mn(NCS)3.