Outputs (1609)

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. (2025). Valence shell electronically excited states of 1-phenylimidazole and 1-benzylimidazole. Molecular Physics, 123(2), Article e2353878. 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. (in press). 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.