Outputs (158)

Methyl-torsion-facilitated internal energy delocalization following electronic excitation in m -fluorotoluene: Can meta and para substitution be directly compared? (2020)
Journal Article
Davies, A. R., Kemp, D. J., & Wright, T. G. (2020). Methyl-torsion-facilitated internal energy delocalization following electronic excitation in m -fluorotoluene: Can meta and para substitution be directly compared?. AIP Advances, 10(12), Article 125206. https://doi.org/10.1063/5.0032146

Coupling between vibrations, and between vibrations and torsions - a generalization of intramolecular vibrational redistribution (IVR) - provides routes to internal energy delocalization, which can stabilize molecules following photoexcitation. Follo... Read More about Methyl-torsion-facilitated internal energy delocalization following electronic excitation in m -fluorotoluene: Can meta and para substitution be directly compared?.

Simulation of vibrationally resolved absorption spectra of neutral and cationic polyaromatic hydrocarbons (2020)
Journal Article
Chadwick, R. J., Wickham, K., & Besley, N. A. (2020). Simulation of vibrationally resolved absorption spectra of neutral and cationic polyaromatic hydrocarbons. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 139(12), Article 185. https://doi.org/10.1007/s00214-020-02697-7

The identification of the carriers of the absorption features associated with the diffuse interstellar bands (DIBs) is a long-standing problem in astronomical spectroscopy. Computational simulations can contribute to the assignment of the carriers of... Read More about Simulation of vibrationally resolved absorption spectra of neutral and cationic polyaromatic hydrocarbons.

General synthesis of single atom electrocatalysts: via a facile condensation-carbonization process (2020)
Journal Article
Chen, W., Luo, X., Slater, T. . J., Ling, S., Zhou, Y., Bao, R., Alves Fernandes, J., Wang, J., & Shen, Y. (2020). General synthesis of single atom electrocatalysts: via a facile condensation-carbonization process. Journal of Materials Chemistry A, 8(48), 25959-25969. https://doi.org/10.1039/d0ta08115a

The general and cost-effective synthesis of single atom electrocatalysts (SAECs) still remains a great challenge. Herein, we report a general synthetic protocol for the synthesis of SAECs via a simple condensation-carbonization process, in which furf... Read More about General synthesis of single atom electrocatalysts: via a facile condensation-carbonization process.

Flame spheroidisation of dense and porous Ca2Fe2O5 microspheres (2020)
Journal Article
Molinar Díaz, J., Samad, S. A., Steer, E., Neate, N., Constantin, H., Islam, M. T., Brown, P. D., & Ahmed, I. (2020). Flame spheroidisation of dense and porous Ca2Fe2O5 microspheres. Materials Advances, 1(9), 3539-3544. https://doi.org/10.1039/d0ma00564a

Compositionally uniform magnetic Ca2Fe2O5 (srebrodolskite) microspheres created via a rapid, single-stage flame spheroidisation (FS) process using magnetite and carbonate based porogen (1:1 Fe3O4:CaCO3) feedstock powders, are described. Two types of... Read More about Flame spheroidisation of dense and porous Ca2Fe2O5 microspheres.

An experimental and theoretical study of the valence shell photoelectron spectrum of oxalyl chloride (2020)
Journal Article
Holland, D., Nandi, S., Nicolas, C., Bozek, J., Patanen, M., & Powis, I. (2021). An experimental and theoretical study of the valence shell photoelectron spectrum of oxalyl chloride. Chemical Physics, 542, Article 111050. https://doi.org/10.1016/j.chemphys.2020.111050

Polarization dependent photoelectron spectra encompassing the outer valence orbitals of oxalyl chloride have been recorded in the photon energy range 19 – 91 eV. These have allowed photoelectron anisotropy parameters and branching ratios to be determ... Read More about An experimental and theoretical study of the valence shell photoelectron spectrum of oxalyl chloride.

Influence of structure and solubility of chain transfer agents on the RAFT control of dispersion polymerisation in scCO2 (2020)
Journal Article
Alves Costa Pacheco, A., Fernandes Da Silva Filho, A., Kortsen, K., Hanson-Heine, M., Taresco, V., Hirst, J. D., Lansalot, M., D'Agosto, F., & Howdle, S. M. (2021). Influence of structure and solubility of chain transfer agents on the RAFT control of dispersion polymerisation in scCO2. Chemical Science, 12(3), 1016-1030. https://doi.org/10.1039/d0sc05281g

Reversible addition-fragmentation chain transfer (RAFT) dispersion polymerisation of methyl methacrylate (MMA) is performed in supercritical carbon dioxide (scCO2) with 2-(dodecylthiocarbonothioylthio)-2-methylpropionic acid (DDMAT) present as chain... Read More about Influence of structure and solubility of chain transfer agents on the RAFT control of dispersion polymerisation in scCO2.

Synthesis and Antibacterial Evaluation of New Pyrazolo[3,4-d]pyrimidines Kinase Inhibitors (2020)
Journal Article
Greco, C., Catania, R., Balacco, D. L., Taresco, V., Musumeci, F., Alexander, C., Huett, A., & Schenone, S. (2020). Synthesis and Antibacterial Evaluation of New Pyrazolo[3,4-d]pyrimidines Kinase Inhibitors. Molecules, 25(22), Article 5354. https://doi.org/10.3390/molecules25225354

Pyrazolo[3,4-d]pyrimidines represent an important class of heterocyclic compounds well-known for their anticancer activity exerted by the inhibition of eukaryotic protein kinases. Recently, pyrazolo[3,4-d]pyrimidines have become increasingly attracti... Read More about Synthesis and Antibacterial Evaluation of New Pyrazolo[3,4-d]pyrimidines Kinase Inhibitors.

Molecular Control of the Catalytic Properties of Rhodium Nanoparticles in Supported Ionic Liquid Phase (SILP) Systems (2020)
Journal Article
Bordet, A., Moos, G., Welsh, C., Licence, P., Luska, K. L., & Leitner, W. (2020). Molecular Control of the Catalytic Properties of Rhodium Nanoparticles in Supported Ionic Liquid Phase (SILP) Systems. ACS Catalysis, 10(23), 13904-13912. https://doi.org/10.1021/acscatal.0c03559

Rhodium nanoparticles (NPs) immobilized on imidazolium-based supported ionic liquid phases (Rh@SILP) act as effective catalysts for the hydrogenation of biomass-derived furfuralacetone. The structure of ionic liquid-type (IL) molecular modifiers was... Read More about Molecular Control of the Catalytic Properties of Rhodium Nanoparticles in Supported Ionic Liquid Phase (SILP) Systems.

Molecular Quantum Rings Formed from a π -Conjugated Macrocycle (2020)
Journal Article
Judd, C. J., Nizovtsev, A. S., Plougmann, R., Kondratuk, D. V., Anderson, H. L., Besley, E., & Saywell, A. (2020). Molecular Quantum Rings Formed from a π -Conjugated Macrocycle. Physical Review Letters, 125(20), Article 206803. https://doi.org/10.1103/PhysRevLett.125.206803

The electronic structure of a molecular quantum ring (stacks of 40-unit cyclic porphyrin polymers) is characterized via scanning tunneling microscopy and scanning tunneling spectroscopy. Our measurements access the energetic and spatial distribution... Read More about Molecular Quantum Rings Formed from a π -Conjugated Macrocycle.

Polymerisation-induced self-assembly (PISA) as a straightforward formulation strategy for stimuli-responsive drug delivery systems and biomaterials: recent advances (2020)
Journal Article
Phan, H., Taresco, V., Penelle, J., & Couturaud, B. (2021). Polymerisation-induced self-assembly (PISA) as a straightforward formulation strategy for stimuli-responsive drug delivery systems and biomaterials: recent advances. Biomaterials Science, 9(1), 38-50. https://doi.org/10.1039/d0bm01406k

Stimuli-responsive amphiphilic block copolymers have emerged as promising nanocarriers for enhancing site-specific and on-demand drug release in response to a range of stimuli such as pH, the presence of redox agents, and temperature. The formulation... Read More about Polymerisation-induced self-assembly (PISA) as a straightforward formulation strategy for stimuli-responsive drug delivery systems and biomaterials: recent advances.