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Phosphine and Selenoether peri-Substituted Acenaphthenes and Their Transition-Metal Complexes: Structural and NMR Investigations (2023)
Journal Article
Zhang, L., Christie, F. A., Tarcza, A. E., Lancaster, H. G., Taylor, L. J., Bühl, M., …Kilian, P. (2023). Phosphine and Selenoether peri-Substituted Acenaphthenes and Their Transition-Metal Complexes: Structural and NMR Investigations. Inorganic Chemistry, 62(39), 16084–16100. https://doi.org/10.1021/acs.inorgchem.3c02255

A series of -substituted acenaphthene-based phosphine selenoether bidentate ligands Acenap( Pr P)(SeAr) ( - , Acenap = acenaphthene-5,6-diyl, Ar = Ph, mesityl, 2,4,6-trisopropylphenyl and supermesityl) were prepared. The rigid acenaphthene framework... Read More about Phosphine and Selenoether peri-Substituted Acenaphthenes and Their Transition-Metal Complexes: Structural and NMR Investigations.

Redox processes in Cu-binding proteins: the “in-between” states in intrinsically disordered peptides (2023)
Journal Article
Falcone, E., & Hureau, C. (2023). Redox processes in Cu-binding proteins: the “in-between” states in intrinsically disordered peptides. Chemical Society Reviews, 52, 6595-6600. https://doi.org/10.1039/d3cs00443k

We report on a concept that some of us first described a decade ago for pure electron transfer [V. Balland, C. Hureau and J.-M. Savéant, Proc. Natl. Acad. Sci. U. S. A., 2010, 107, 17113]. In the present viewpoint, based on more recent results, we re... Read More about Redox processes in Cu-binding proteins: the “in-between” states in intrinsically disordered peptides.

Real-time time-dependent self-consistent field methods with dynamic magnetic fields (2023)
Journal Article
Wibowo-Teale, M., Ennifer, B. J., & Wibowo-Teale, A. M. (2023). Real-time time-dependent self-consistent field methods with dynamic magnetic fields. Journal of Chemical Physics, 159(10), Article 104102. https://doi.org/10.1063/5.0160317

The first finite basis set implementation of the real-time time-dependent self-consistent field method in a dynamic (time-dependent) magnetic field using London atomic orbitals (LAOs) is presented. The accuracy of the finite basis approach using LAOs... Read More about Real-time time-dependent self-consistent field methods with dynamic magnetic fields.

Semiempirical Methods for Molecular Systems in Strong Magnetic Fields (2023)
Journal Article
Cheng, C. Y., & Wibowo-Teale, A. M. (2023). Semiempirical Methods for Molecular Systems in Strong Magnetic Fields. Journal of Chemical Theory and Computation, 19(18), 6226-6241. https://doi.org/10.1021/acs.jctc.3c00671

A general scheme is presented to extend semiempirical methods to include the effects of arbitrary strength magnetic fields, while maintaining computational efficiency. The approach utilizes three main modifications; a London atomic orbital (LAO) basi... Read More about Semiempirical Methods for Molecular Systems in Strong Magnetic Fields.

Osteological, multi-isotope and proteomic analysis of poorly-preserved human remains from a Dutch East India Company burial ground in South Africa (2023)
Journal Article
Olszewski, J., Hall, R. A., Kootker, L. M., Oldham, N. J., Layfield, R., Shaw, B., …Schrader, S. A. (2023). Osteological, multi-isotope and proteomic analysis of poorly-preserved human remains from a Dutch East India Company burial ground in South Africa. Scientific Reports, 13, Article 14666. https://doi.org/10.1038/s41598-023-41503-9

Skeletal remains discovered in Simon’s Town, South Africa, were hypothesised as being associated with a former Dutch East India Company (VOC) hospital. We report a novel combined osteological and biochemical approach to these poorly-preserved remains... Read More about Osteological, multi-isotope and proteomic analysis of poorly-preserved human remains from a Dutch East India Company burial ground in South Africa.

Selective Excitation of Pd-decorated Titania Enables Consecutive C−C Couplings and Hydrogenations under Ambient Conditions (2023)
Journal Article
Whitehead, R. Z., Norman, L. T., Cull, W. J., Fernandes, J. A., & Lanterna, A. E. (2023). Selective Excitation of Pd-decorated Titania Enables Consecutive C−C Couplings and Hydrogenations under Ambient Conditions. ChemCatChem, 15(21), Article e202300528. https://doi.org/10.1002/cctc.202300528

Here, we discovered that Pd decorated TiO2 (Pd@TiO2) enables consecutive photocatalytic Sonogashira C−C coupling and hydrogenation steps by simply adjusting the excitation conditions of the reaction. We demonstrated that by-products containing iodine... Read More about Selective Excitation of Pd-decorated Titania Enables Consecutive C−C Couplings and Hydrogenations under Ambient Conditions.

Characterisation of geranylgeranyl diphosphate synthase from the sandfly Lutzomyia longipalpis (2023)
Journal Article
Ducker, C., French, S., Pathak, M., Taylor, H., Sainter, A., Askem, W., …Oldham, N. J. (2023). Characterisation of geranylgeranyl diphosphate synthase from the sandfly Lutzomyia longipalpis. Insect Biochemistry and Molecular Biology, 161, Article 104001. https://doi.org/10.1016/j.ibmb.2023.104001

Leishmaniasis is a debilitating and often fatal neglected tropical disease. Males from sub-populations of the Leishmania-harbouring sandfly, Lutzomyia longipalpis, produce the diterpene sex and aggregation pheromone, sobralene, for which geranylgeran... Read More about Characterisation of geranylgeranyl diphosphate synthase from the sandfly Lutzomyia longipalpis.

Chemical Kinetics of Metal Single Atom and Nanocluster Formation on Surfaces: An Example of Pt on Hexagonal Boron Nitride (2023)
Journal Article
Popov, I., Ghaderzadeh, S., Kohlrausch, E. C., Norman, L. T., Slater, T. J. A., Aliev, G. N., …Besley, E. (2023). Chemical Kinetics of Metal Single Atom and Nanocluster Formation on Surfaces: An Example of Pt on Hexagonal Boron Nitride. Nano Letters, https://doi.org/10.1021/acs.nanolett.3c01968

The production of atomically dispersed metal catalysts remains a significant challenge in the field of heterogeneous catalysis due to coexistence with continuously packed sites such as nanoclusters and nanoparticles. This work presents a comprehensiv... Read More about Chemical Kinetics of Metal Single Atom and Nanocluster Formation on Surfaces: An Example of Pt on Hexagonal Boron Nitride.

Nitrogen vacancy defects in single-particle nanodiamonds sense paramagnetic transition metal spin noise from nanoparticles on a transmission electron microscopy grid (2023)
Journal Article
Flinn, B. T., Radu, V., Fay, M. W., Tyler, A. J., Pitcairn, J., Cliffe, M. J., …Khlobystov, A. N. (2023). Nitrogen vacancy defects in single-particle nanodiamonds sense paramagnetic transition metal spin noise from nanoparticles on a transmission electron microscopy grid. Nanoscale Advances, 2023(23), 6423-6434. https://doi.org/10.1039/d3na00155e

Spin-active nanomaterials play a vital role in current and upcoming quantum technologies, such as spintronics, data storage and computing. To advance the design and application of these materials, methods to link size, shape, structure, and chemical... Read More about Nitrogen vacancy defects in single-particle nanodiamonds sense paramagnetic transition metal spin noise from nanoparticles on a transmission electron microscopy grid.

Recent Developments in the Methods and Applications of Electrostatic Theory (2023)
Journal Article
Besley, E. (2023). Recent Developments in the Methods and Applications of Electrostatic Theory. Accounts of Chemical Research, 56(17), 2267–2277. https://doi.org/10.1021/acs.accounts.3c00068

The review improves our understanding of how electrostatic interactions in the electrolyte, gas phase, and on surfaces can drive the fragmentation and assembly of particles. This is achieved through the overview of our advanced theoretical and comput... Read More about Recent Developments in the Methods and Applications of Electrostatic Theory.

The metabolic control of DNA replication: mechanism and function (2023)
Journal Article
Soultanas, P., & Janniere, L. (2023). The metabolic control of DNA replication: mechanism and function. Open Biology, 13(8), Article 230220. https://doi.org/10.1098/rsob.230220

Metabolism and DNA replication are the two most fundamental biological functions in life. The catabolic branch of metabolism breaks down nutrients to produce energy and precursors used by the anabolic branch of metabolism to synthesize macromolecules... Read More about The metabolic control of DNA replication: mechanism and function.

Self-metalation of Tetraphenyl Porphyrin on Au(111): Structural Characterisation via X-ray Standing Wave Analysis (2023)
Journal Article
Frampton, E. S., Edmondson, M., Judd, C. J., Duncan, D. A., Jones, R. G., & Saywell, A. (2023). Self-metalation of Tetraphenyl Porphyrin on Au(111): Structural Characterisation via X-ray Standing Wave Analysis. Inorganica Chimica Acta, 558, Article 121718. https://doi.org/10.1016/j.ica.2023.121718

The study of surface-confined reactions provides a route towards characterising the mechanistic processes which underpin heterogeneous catalysis. On-surface reactions provide alternative pathways to solution phase synthesis, and can be studied by a r... Read More about Self-metalation of Tetraphenyl Porphyrin on Au(111): Structural Characterisation via X-ray Standing Wave Analysis.

Selective electrochemical CO 2 conversion with a hybrid polyoxometalate (2023)
Journal Article
Kuramochi, S., Cameron, J. M., Fukui, T., Jones, K. D., Argent, S. P., Kusaka, S., …Newton, G. N. (2023). Selective electrochemical CO 2 conversion with a hybrid polyoxometalate. Chemical Communications, 59(72), 10801-10804. https://doi.org/10.1039/d3cc02138f

A multi-component coordination compound, in which ruthenium antenna complexes are connected to a polyoxotungstate core is presented. This hybrid cluster effectively promotes the electrochemical conversion of CO2 to C1 feedstocks, the selectivity of w... Read More about Selective electrochemical CO 2 conversion with a hybrid polyoxometalate.

Modification of Poly(Glycerol Adipate) with Tocopherol and Cholesterol Modulating Nanoparticle Self-Assemblies and Cellular Responses of Triple-Negative Breast Cancer Cells to SN-38 Delivery (2023)
Journal Article
Suksiriworapong, J., Achayawat, C., Juangrattanakamjorn, P., Taresco, V., Cuzzucoli Crucitti, V., Sakchaisri, K., & Bunsupa, S. (2023). Modification of Poly(Glycerol Adipate) with Tocopherol and Cholesterol Modulating Nanoparticle Self-Assemblies and Cellular Responses of Triple-Negative Breast Cancer Cells to SN-38 Delivery. Pharmaceutics, 15(8), Article 2100. https://doi.org/10.3390/pharmaceutics15082100

This study aimed to fabricate new variations of glycerol-based polyesters by grafting poly(glycerol adipate) (PGA) with hydrophobic bioactive moieties, tocopherol (TOC), and cholesterol (CHO). Their effects on nanoparticle (NP) formation, drug releas... Read More about Modification of Poly(Glycerol Adipate) with Tocopherol and Cholesterol Modulating Nanoparticle Self-Assemblies and Cellular Responses of Triple-Negative Breast Cancer Cells to SN-38 Delivery.

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 † ‡.

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.

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.