All Outputs (1450)

ERFVII action and modulation through oxygen-sensing in Arabidopsis thaliana (2023)
Journal Article
Zubrycka, A., Dambire, C., Dalle Carbonare, L., Sharma, G., Boeckx, T., Swarup, K., …Holdsworth, M. J. (2023). ERFVII action and modulation through oxygen-sensing in Arabidopsis thaliana. Nature Communications, 14, Article 4665. https://doi.org/10.1038/s41467-023-40366-y

Oxygen is a key signalling component of plant biology, and whilst an oxygen-sensing mechanism was previously described in Arabidopsis thaliana, key features of the associated PLANT CYSTEINE OXIDASE (PCO) N-degron pathway and Group VII ETHYLENE RESPON... Read More about ERFVII action and modulation through oxygen-sensing in Arabidopsis thaliana.

Understanding the limits of Li-NMC811 half-cells (2023)
Journal Article
McNulty, R. C., Hampson, E., Cutler, L. N., Grey, C. P., Dose, W. M., & Johnson, L. R. (2023). Understanding the limits of Li-NMC811 half-cells. Journal of Materials Chemistry A, 11(34), 18302-18312. https://doi.org/10.1039/d3ta00912b

As we push the boundaries of state-of-the-art lithium-ion intercalation materials, such as nickel-rich chemistries, the ability to isolate and understand specific degradation and performance limitations is becoming increasingly important. Half-cells,... Read More about Understanding the limits of Li-NMC811 half-cells.

Design, Synthesis, and Application of Fluorescent Ligands Targeting the Intracellular Allosteric Binding Site of the CXC Chemokine Receptor 2 (2023)
Journal Article
Casella, B. M., Farmer, J. P., Nesheva, D. N., Williams, H. E., Charlton, S. J., Holliday, N. D., …Mistry, S. N. (2023). Design, Synthesis, and Application of Fluorescent Ligands Targeting the Intracellular Allosteric Binding Site of the CXC Chemokine Receptor 2. Journal of Medicinal Chemistry, https://doi.org/10.1021/acs.jmedchem.3c00849

The inhibition of CXC chemokine receptor 2 (CXCR2), a key inflammatory mediator, is a potential strategy in the treatment of several pulmonary diseases and cancers. The complexity of endogenous chemokine interaction with the orthosteric binding site... Read More about Design, Synthesis, and Application of Fluorescent Ligands Targeting the Intracellular Allosteric Binding Site of the CXC Chemokine Receptor 2.

Phosphorus derivatives of mesoionic carbenes: synthesis and characterization of triazaphosphole-5-ylidene → BF 3 adducts † ‡ (2023)
Journal Article
Dettling, L., Limberg, N., Küppers, R., Frost, D., Weber, M., Coles, N. T., …Müller, C. (in press). Phosphorus derivatives of mesoionic carbenes: synthesis and characterization of triazaphosphole-5-ylidene → BF 3 adducts † ‡. Chemical Communications, 59(68), 10243-10246. https://doi.org/10.1039/d3cc03268j

Trimethylsilyl-substituted triazaphospholes were synthesized by a [3+2] cycloaddition reaction between organic azides and (CH3)3Si-C ≡ P. In an attempt to isolate their N-alkylated products, the formation of BF3 adducts of unprecedented triazaphospho... Read More about Phosphorus derivatives of mesoionic carbenes: synthesis and characterization of triazaphosphole-5-ylidene → BF 3 adducts † ‡.

Programmable Deuteration of Indoles via Reverse Deuterium Exchange (2023)
Journal Article
Fitzgerald, L. S., McNulty, R. L., Greener, A., & O'Duill, M. L. (2023). Programmable Deuteration of Indoles via Reverse Deuterium Exchange. Journal of Organic Chemistry, 88(15), 10772-10776. https://doi.org/10.1021/acs.joc.3c00819

Methods for selective deuterium incorporation into drug-like molecules have become extremely valuable due to the commercial, mechanistic, and biological importance of deuterated compounds. Herein, we report a programmable labeling platform that allow... Read More about Programmable Deuteration of Indoles via Reverse Deuterium Exchange.

Silver(I)-Catalyzed Synthesis of Cuneanes from Cubanes and their Investigation as Isosteres (2023)
Journal Article
Smith, E., Jones, K. D., O’Brien, L., Argent, S. P., Salome, C., Lefebvre, Q., …Lam, H. W. (2023). Silver(I)-Catalyzed Synthesis of Cuneanes from Cubanes and their Investigation as Isosteres. Journal of the American Chemical Society, 145(30), 16365-16373. https://doi.org/10.1021/jacs.3c03207

Bridged or caged polycyclic hydrocarbons have rigid structures that project substituents into precise regions of 3D space, making them attractive as linking groups in materials science and as building blocks for medicinal chemistry. The efficient syn... Read More about Silver(I)-Catalyzed Synthesis of Cuneanes from Cubanes and their Investigation as Isosteres.

A simple, sustainable route to flexible microporous carbon cloth for energy storage applications (2023)
Journal Article
Alkhaldi, T., Blankenship, L. S., & Mokaya, R. (2023). A simple, sustainable route to flexible microporous carbon cloth for energy storage applications. Materials Advances, 4(16), 3559-3571. https://doi.org/10.1039/d3ma00157a

Activated carbon cloth (ACC) has the potential to be extremely useful in gas capture and storage applications as it combines high porosity, robustness, and flexibility with ease of handling. While it has been produced by a few researchers, the synthe... Read More about A simple, sustainable route to flexible microporous carbon cloth for energy storage applications.

A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data (2023)
Working Paper
Zuffa, S., Schmid, R., Bauermeister, A., Gomes, P. W. P., Caraballo-Rodriguez, A. M., Abiead, Y. E., …Dorrestein, P. C. A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data

MicrobeMASST, a taxonomically-informed mass spectrometry (MS) search tool, tackles limited microbial metabolite annotation in untargeted metabolomics experiments. Leveraging a curated database of >60,000 microbial monocultures, users can search known... Read More about A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data.

ML meets MLn: machine learning in ligand promoted homogeneous catalysis (2023)
Journal Article
Hirst, J. D., Boobier, S., Coughlan, J., Streets, J., Jacob, P. L., Pugh, O., …Woodward, S. (2023). ML meets MLn: machine learning in ligand promoted homogeneous catalysis. Artificial Intelligence Chemistry, 1(2), Article 100006. https://doi.org/10.1016/j.aichem.2023.100006

The benefits of using machine learning approaches in the design, optimisation and understanding of homogeneous catalytic processes are being increasingly realised. We focus on the understanding and implementation of key concepts, which serve as condu... Read More about ML meets MLn: machine learning in ligand promoted homogeneous catalysis.

Oxetane Synthesis via Alcohol C–H Functionalization (2023)
Journal Article
Paul, S., Filippini, D., Ficarra, F., Melnychenko, H., Janot, C., & Silvi, M. (2023). Oxetane Synthesis via Alcohol C–H Functionalization. Journal of the American Chemical Society, 145(29), 15688–15694. https://doi.org/10.1021/jacs.3c04891

Oxetanes are strained heterocycles with unique properties that have triggered significant advances in medicinal chemistry. However, their synthesis still presents significant challenges that limit the use of this class of compounds in practical appli... Read More about Oxetane Synthesis via Alcohol C–H Functionalization.

A lithium-air battery and gas handling system demonstrator (2023)
Journal Article
Jordan, J. W., Vailaya, G., Holc, C., Jenkins, M., McNulty, R. C., Puscalau, C., …Johnson, L. R. (2024). A lithium-air battery and gas handling system demonstrator. Faraday Discussions, 248, 381-391. https://doi.org/10.1039/d3fd00137g

The lithium-air (Li-air) battery offers one of the highest practical specific energy densities of any battery system at >400 W h kgsystem−1. The practical cell is expected to operate in air, which is flowed into the positive porous electrode where it... Read More about A lithium-air battery and gas handling system demonstrator.

Chemoselective Late-Stage Functionalization of Peptides via Photocatalytic C2-Alkylation of Tryptophan (2023)
Journal Article
Lee, J. C., Cuthbertson, J. D., & Mitchell, N. J. (2023). Chemoselective Late-Stage Functionalization of Peptides via Photocatalytic C2-Alkylation of Tryptophan. Organic Letters, 25(29), 5459-5464. https://doi.org/10.1021/acs.orglett.3c01795

Across eukaryotic proteomes, tryptophan is the least abundant of the 20 canonical amino acids, which makes it an ideal chemical handle for the late-stage functionalization of peptide and protein scaffolds with minimal production of undesired isoforms... Read More about Chemoselective Late-Stage Functionalization of Peptides via Photocatalytic C2-Alkylation of Tryptophan.

Synthesis of Multifunctional Polymersomes Prepared by Polymerization-Induced Self-Assembly (2023)
Journal Article
Phan, H., Cavanagh, R., Jacob, P., Destouches, D., Vacherot, F., Brugnoli, B., …Couturaud, B. (2023). Synthesis of Multifunctional Polymersomes Prepared by Polymerization-Induced Self-Assembly. Polymers, 15(14), Article 3070. https://doi.org/10.3390/polym15143070

Polymersomes are an exciting modality for drug delivery due to their structural similarity to biological cells and their ability to encapsulate both hydrophilic and hydrophobic drugs. In this regard, the current work aimed to develop multifunctional... Read More about Synthesis of Multifunctional Polymersomes Prepared by Polymerization-Induced Self-Assembly.

Synthesis of Highly Functionalized Bismacycles via Post-Transmetallation Modification of Aryboronic Acids (2023)
Journal Article
Sivanandan, S. T., Guiry, P. J., Owen, B., & Ball, L. (2023). Synthesis of Highly Functionalized Bismacycles via Post-Transmetallation Modification of Aryboronic Acids. Journal of Organic Chemistry, 88(14), 9730-9736. https://doi.org/10.1021/acs.joc.3c00361

Bismacycles featuring a sulfone-bridged scaffold have recently been developed as versatile and convenient electrophilic arylating agents. Here, we report that the exocyclic aryl group, which is ultimately transferred to a nucleophilic coupling partne... Read More about Synthesis of Highly Functionalized Bismacycles via Post-Transmetallation Modification of Aryboronic Acids.

Synthesis of Highly Functionalized Bismacycles via Post-Transmetallation Modification of Arylboronic Acids (2023)
Journal Article
Sivanandan, S. T., Owen, B., Guiry, P. J., & Ball, L. T. (2023). Synthesis of Highly Functionalized Bismacycles via Post-Transmetallation Modification of Arylboronic Acids. Journal of Organic Chemistry, 88(14), 9730–9736. https://doi.org/10.1021/acs.joc.3c00361

Bismacycles featuring a sulfone-bridged scaffold have recently been developed as versatile and convenient electrophilic arylating agents. Here, we report that the exocyclic aryl group, which is ultimately transferred to a nucleophilic coupling partne... Read More about Synthesis of Highly Functionalized Bismacycles via Post-Transmetallation Modification of Arylboronic Acids.

Solvothermal synthesis of organoclay/Cu-MOF composite and its application in film modified GCE for simultaneous electrochemical detection of deoxyepinephrine, acetaminophen and tyrosine (2023)
Journal Article
Mouafo-Tchinda, E., Kemmegne-Mbouguen, J. C., Nanseu-Njiki, C. P., Langmi, H. W., Kowenje, C., Musyoka, N. M., & Mokaya, R. (2023). Solvothermal synthesis of organoclay/Cu-MOF composite and its application in film modified GCE for simultaneous electrochemical detection of deoxyepinephrine, acetaminophen and tyrosine. RSC Advances, 13(30), 20816-20829. https://doi.org/10.1039/d3ra03850e

An organoclay/copper-based metal-organic framework (MOF) composite was synthesized using a solvothermal method by growing a Cu-BTC (copper(ii) benzene-1,3,5-tricarboxylate) MOF from a mixture of the MOF precursor solution in which various amounts of... Read More about Solvothermal synthesis of organoclay/Cu-MOF composite and its application in film modified GCE for simultaneous electrochemical detection of deoxyepinephrine, acetaminophen and tyrosine.

PDI-functionalised glass beads: efficient, metal-free heterogeneous photocatalysts suitable for flow photochemistry (2023)
Working Paper
Ali, H., Ahmed, I., Robertson, K., & Lanterna, A. PDI-functionalised glass beads: efficient, metal-free heterogeneous photocatalysts suitable for flow photochemistry

Perylene diimides (PDI) have an extraordinary ability to activate both energy and electron transfer process upon light excitation, however, their extremely low solubility has hindered their wide use as photocatalysts. Here, we show a series of suppor... Read More about PDI-functionalised glass beads: efficient, metal-free heterogeneous photocatalysts suitable for flow photochemistry.

Application of a Synthetic Ferredoxin‐Inspired [4Fe4S]‐Peptide Maquette as the Redox Partner for an [FeFe]‐Hydrogenase (2023)
Journal Article
Bombana, A., Shanmugam, M., Collison, D., Kibler, A. J., Newton, G. N., Jäger, C. M., …Mitchell, N. J. (2023). Application of a Synthetic Ferredoxin‐Inspired [4Fe4S]‐Peptide Maquette as the Redox Partner for an [FeFe]‐Hydrogenase. ChemBioChem, 24(18), Article e202300250. https://doi.org/10.1002/cbic.202300250

‘Bacterial-type’ ferredoxins host a cubane [4Fe4S]2+/+ cluster that enables these proteins to mediate electron transfer and facilitate a broad range of biological processes. Peptide maquettes based on the conserved cluster-forming motif have previous... Read More about Application of a Synthetic Ferredoxin‐Inspired [4Fe4S]‐Peptide Maquette as the Redox Partner for an [FeFe]‐Hydrogenase.

Graphene nanoribbons with hBN passivated edges grown by high-temperature molecular beam epitaxy (2023)
Journal Article
Bradford, J., Cheng, T. S., James, T. S., Khlobystov, A. N., Mellor, C. J., Watanabe, K., …Beton, P. H. (2023). Graphene nanoribbons with hBN passivated edges grown by high-temperature molecular beam epitaxy. 2D Materials, 10(3), Article 035035. https://doi.org/10.1088/2053-1583/acdefc

Integration of graphene and hexagonal boron nitride (hBN) in lateral heterostructures has provided a route to broadly engineer the material properties by quantum confinement of electrons or introduction of novel electronic and magnetic states at the... Read More about Graphene nanoribbons with hBN passivated edges grown by high-temperature molecular beam epitaxy.

Parallel Implementation of Nonadditive Gaussian Process Potentials for Monte Carlo Simulations (2023)
Journal Article
Broad, J., Wheatley, R. J., & Graham, R. S. (2023). Parallel Implementation of Nonadditive Gaussian Process Potentials for Monte Carlo Simulations. Journal of Chemical Theory and Computation, 19(13), 4322-4333. https://doi.org/10.1021/acs.jctc.3c00113

A strategy is presented to implement Gaussian process potentials in molecular simulations through parallel programming. Attention is focused on the three-body nonadditive energy, though all algorithms extend straightforwardly to the additive energy.... Read More about Parallel Implementation of Nonadditive Gaussian Process Potentials for Monte Carlo Simulations.