All Outputs (1451)

Four Redox Isomers of a [3 × 3] Copper–Iron Heterometal Grid (2023)
Journal Article
Sato, H., Onuki, T., Newton, G. N., Shiga, T., & Oshio, H. (2023). Four Redox Isomers of a [3 × 3] Copper–Iron Heterometal Grid. Inorganic Chemistry, 62(44), 18003-18008. https://doi.org/10.1021/acs.inorgchem.3c02498

A mixed-valence heterometallic nonanuclear [3 × 3] grid complex, [CuI2CuII6FeIII(L)6](BF4)5·MeOH·9H2O (1; MeOH = methanol), was synthesized by a one-pot reaction of copper and iron ions with multidentate ligand 2,6-bis[5-(2-pyridinyl)-1H-pyrazol-3-yl... Read More about Four Redox Isomers of a [3 × 3] Copper–Iron Heterometal Grid.

Synergistic engineering of heteronuclear Ni-Ag dual-atom catalysts for high-efficiency CO2 electroreduction with nearly 100% CO selectivity (2023)
Journal Article
Guo, Z., Zhu, H., Yang, G., Wu, A., Chen, Q., Yan, Z., …Xu, M. (2023). Synergistic engineering of heteronuclear Ni-Ag dual-atom catalysts for high-efficiency CO2 electroreduction with nearly 100% CO selectivity. Chemical Engineering Journal, 476, Article 146556. https://doi.org/10.1016/j.cej.2023.146556

Single-atom catalysts (SACs) have emerged as attractive materials for the electrocatalytic carbon dioxide reduction (ECO2R). Dual-atom catalysts (DACs), an extension of SACs, exhibit more compelling functionalities due to the synergistic effects betw... Read More about Synergistic engineering of heteronuclear Ni-Ag dual-atom catalysts for high-efficiency CO2 electroreduction with nearly 100% CO selectivity.

Pea aphid odorant-binding protein ApisOBP6 discriminates between aphid sex pheromone components, aphid alarm pheromone and a host plant volatile (2023)
Journal Article
Sims, C., Birkett, M. A., Oldham, N. J., Stockman, R. A., & Withall, D. M. (2023). Pea aphid odorant-binding protein ApisOBP6 discriminates between aphid sex pheromone components, aphid alarm pheromone and a host plant volatile. Insect Biochemistry and Molecular Biology, 162, Article 104026. https://doi.org/10.1016/j.ibmb.2023.104026

Olfactory perception of pheromones in insects involves odorant-binding proteins (OBPs), relatively small proteins (ca.110-240 amino acid residues) that can bind reversibly to behaviourally active olfactory ligands. In this study, we investigated the... Read More about Pea aphid odorant-binding protein ApisOBP6 discriminates between aphid sex pheromone components, aphid alarm pheromone and a host plant volatile.

Antibody-based sex determination of human skeletal remains (2023)
Journal Article
Shaw, B., Foggin, S., Hamilton-Stanley, P., Barlow, A., Pickard, C., Fibiger, L., …Layfield, R. (2023). Antibody-based sex determination of human skeletal remains. iScience, 26(11), Article 108191. https://doi.org/10.1016/j.isci.2023.108191

Assignment of biological sex to skeletal remains is critical in the accurate reconstruction of the past. Analysis of sex-chromosome encoded AMELX and AMELY peptides from the enamel protein amelogenin underpins a minimally destructive mass spectrometr... Read More about Antibody-based sex determination of human skeletal remains.

Conducting poly(3,4-ethylenedioxythiophene) materials with sustainable carrageenan counter-ions and their thermoelectric properties (2023)
Journal Article
Duan, Z., Phillips, J., Liirò-Peluso, L., Woodward, S., Makarovsky, O., Weir, M. P., …Amabilino, D. B. (2023). Conducting poly(3,4-ethylenedioxythiophene) materials with sustainable carrageenan counter-ions and their thermoelectric properties. Materials Advances, 22(4), Article 5573. https://doi.org/10.1039/d3ma00547j

The preparation and properties of conducting polymers comprising poly(3,4-ethylenedioxythiophene) (PEDOT) and two types of carrageenan – each on their own or combined – as counter-ions are described. The aim of the work is to provide alternative, mor... Read More about Conducting poly(3,4-ethylenedioxythiophene) materials with sustainable carrageenan counter-ions and their thermoelectric properties.

High-pressure behavior of the magnetic van der Waals molecular framework Ni(NCS) 2 (2023)
Journal Article
Geers, M., Jarvis, D. M., Liu, C., Saxena, S. S., Pitcairn, J., Myatt, E., …Cliffe, M. J. (2023). High-pressure behavior of the magnetic van der Waals molecular framework Ni(NCS) 2. Physical Review B, 108(14), Article 144439. https://doi.org/10.1103/PhysRevB.108.144439

Two-dimensional materials offer a unique range of magnetic, electronic, and mechanical properties which can be controlled by external stimuli. Pressure is a particularly important stimulus, as it can be achieved readily and can produce large response... Read More about High-pressure behavior of the magnetic van der Waals molecular framework Ni(NCS) 2.

Self-assembled chitosan-sodium usnate drug delivery nanosystems: Synthesis, characterization, stability studies, in vitro cytotoxicity and in vivo biocompatibility against 143 B cells (2023)
Journal Article
Brugnoli, B., Mariano, A., Simonis, B., Bombelli, C., Sennato, S., Piozzi, A., …Francolini, I. (2023). Self-assembled chitosan-sodium usnate drug delivery nanosystems: Synthesis, characterization, stability studies, in vitro cytotoxicity and in vivo biocompatibility against 143 B cells. Carbohydrate Polymer Technologies and Applications, 6, Article 100373. https://doi.org/10.1016/j.carpta.2023.100373

Polymers are among the most studied materials as drug carriers, due to their tunable chemical structure and ability to self-assemble to give different types of nanostructures. In this study, chitosan (CS) nanoparticles (NPs) were investigated as carr... Read More about Self-assembled chitosan-sodium usnate drug delivery nanosystems: Synthesis, characterization, stability studies, in vitro cytotoxicity and in vivo biocompatibility against 143 B cells.

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.

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.

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.

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.

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.

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.

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.