Outputs (1525)

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.

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.