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Outputs (118)

Homogeneous Carbon Monoxide Homologation (2023)
Book Chapter
Geer, A. M., Kays, D. L., & Taylor, L. J. (2023). Homogeneous Carbon Monoxide Homologation. In Homologation Reactions: Reagents, Applications, and Mechanisms (831-846). Wiley. https://doi.org/10.1002/9783527830237.ch23

The homogeneous activation and homologation of carbon monoxide remains a challenging and highly attractive area of chemical research. This is due in part to the fundamental synthetic interest of using highly reactive complexes, spanning the full brea... Read More about Homogeneous Carbon Monoxide Homologation.

Predicting bioactivity of antibiotic metabolites by molecular docking and dynamics (2023)
Journal Article
Chio, H., Guest, E. E., Hobman, J. L., Dottorini, T., Hirst, J. D., & Stekel, D. J. (2023). Predicting bioactivity of antibiotic metabolites by molecular docking and dynamics. Journal of Molecular Graphics and Modelling, 123, Article 108508. https://doi.org/10.1016/j.jmgm.2023.108508

Antibiotics enter the environment through waste streams, where they can exert selective pressure for antimicrobial resistance in bacteria. However, many antibiotics are excreted as partly metabolized forms, or can be subject to partial breakdown in w... Read More about Predicting bioactivity of antibiotic metabolites by molecular docking and dynamics.

AI4Green: An Open-Source ELN for Green and Sustainable Chemistry (2023)
Journal Article
Boobier, S., Davies, J. C., Derbenev, I. N., Handley, C. M., & Hirst, J. D. (2023). AI4Green: An Open-Source ELN for Green and Sustainable Chemistry. Journal of Chemical Information and Modeling, 63(10), 2895–2901. https://doi.org/10.1021/acs.jcim.3c00306

An Electronic Laboratory Notebook (ELN) combining features, including data archival, collaboration tools, and green and sustainability metrics for organic chemistry, is presented. AI4Green is a web-based application, available as open-source code and... Read More about AI4Green: An Open-Source ELN for Green and Sustainable Chemistry.

Quantitative Raman microscopy to describe structural organisation in hollow microcrystals built from silicon catecholate and amines (2023)
Journal Article
Volkov, V. V., Blundell, T. J., Argent, S., & Perry, C. C. (2023). Quantitative Raman microscopy to describe structural organisation in hollow microcrystals built from silicon catecholate and amines. Dalton Transactions, 52(21), 7249-7257. https://doi.org/10.1039/d3dt00856h

Macroscopic scale hollow microcrystals are a promising group of materials for gas and liquid uptake as well as sensing. In this contribution we describe the structure of hollow hexagonal cross-section crystals formulated as salts of a silicon catecho... Read More about Quantitative Raman microscopy to describe structural organisation in hollow microcrystals built from silicon catecholate and amines.

Hydroperoxide-Mediated Degradation of Acetonitrile in the Lithium–Air Battery (2023)
Journal Article
McNulty, R. C., Jones, K. D., Holc, C., Jordan, J. W., Bruce, P. G., Walsh, D. A., Newton, G. N., Lam, H. W., & Johnson, L. R. (2023). Hydroperoxide-Mediated Degradation of Acetonitrile in the Lithium–Air Battery. Advanced Energy Materials, 13(3), Article 2300579. https://doi.org/10.1002/aenm.202300579

Understanding and eliminating degradation of the electrolyte solution is arguably the major challenge in the development of high energy density lithium–air batteries. The use of acetonitrile provides cycle stability comparable to current state-of-the... Read More about Hydroperoxide-Mediated Degradation of Acetonitrile in the Lithium–Air Battery.

Homotropic Cooperativity in Iron-Catalyzed Alkyne Cyclotrimerizations (2023)
Journal Article
Geer, A. M., Navarro, J., Alamán-Valtierra, P., Coles, N. T., Kays, D. L., & Tejel, C. (2023). Homotropic Cooperativity in Iron-Catalyzed Alkyne Cyclotrimerizations. ACS Catalysis, 13, 6610-6618. https://doi.org/10.1021/acscatal.3c00764

Enhancing catalytic activity through synergic effects is a current challenge in homogeneous catalysis. In addition to the well-established metal-metal and metal-ligand cooperation, we showcase here an example of self-activation by the substrate in co... Read More about Homotropic Cooperativity in Iron-Catalyzed Alkyne Cyclotrimerizations.

The DNA replication initiation protein DnaD recognises a specific strand of the Bacillus subtilis chromosome origin (2023)
Journal Article
Winterhalter, C., Pelliciari, S., Stevens, D., Fenyk, S., Marchand, E., Cronin, N., Costa, T. R., Soultanas, P., Costa, T. D., Ilangovan, A., & Murray, H. (2023). The DNA replication initiation protein DnaD recognises a specific strand of the Bacillus subtilis chromosome origin. Nucleic Acids Research, 51(9), 4322-4340. https://doi.org/10.1093/nar/gkad277

Genome replication is a fundamental biological activity shared by all organisms. Chromosomal replication proceeds bidirectionally from origins, requiring the loading of two helicases, one for each replisome. However, the molecular mechanisms underpin... Read More about The DNA replication initiation protein DnaD recognises a specific strand of the Bacillus subtilis chromosome origin.

Electroluminescence from a phthalocyanine monolayer encapsulated in a van der Waals tunnel diode (2023)
Journal Article
James, T., Bradford, J., Kerfoot, J., Korolkov, V. V., Alkhamisi, M., Taniguchi, T., Watanabe, K., Nizovtsev, A. S., Antolín, E., Besley, E., Svatek, S. A., & Beton, P. H. (2023). Electroluminescence from a phthalocyanine monolayer encapsulated in a van der Waals tunnel diode. Molecular Physics, 121(7-8), Article e2197081. https://doi.org/10.1080/00268976.2023.2197081

Monolayers of free base phthalocyanine (H2Pc) are grown on monolayer and few-layer exfoliated flakes of hexagonal boron nitride (hBN) which are subsequently integrated into a van der Waals tunnel diode. This heterostructure consists of two thin hBN f... Read More about Electroluminescence from a phthalocyanine monolayer encapsulated in a van der Waals tunnel diode.

The Replicative DnaE Polymerase of Bacillus subtilis Recruits the Glycolytic Pyruvate Kinase (PykA) When Bound to Primed DNA Templates (2023)
Journal Article
Holland, A., Pitoulias, M., Soultanas, P., & Janniere, L. (2023). The Replicative DnaE Polymerase of Bacillus subtilis Recruits the Glycolytic Pyruvate Kinase (PykA) When Bound to Primed DNA Templates. Life, 13(4), Article 965. https://doi.org/10.3390/life13040965

The glycolytic enzyme PykA has been reported to drive the metabolic control of replication through a mechanism involving PykA moonlighting functions on the essential DnaE polymerase, the DnaC helicase and regulatory determinants of PykA catalytic act... Read More about The Replicative DnaE Polymerase of Bacillus subtilis Recruits the Glycolytic Pyruvate Kinase (PykA) When Bound to Primed DNA Templates.