Outputs (148)

Direct routes to functional RAFT agents from substituted N-alkyl maleimides (2022)
Journal Article
Catania, R., Foralosso, R., Spanos, L., Russo, E., Mastrotto, F., Gurnani, P., Butler, K., Williams, H., Stolnik, S., & Mantovani, G. (2022). Direct routes to functional RAFT agents from substituted N-alkyl maleimides. Polymer Chemistry, 13(45), 6261-6267. https://doi.org/10.1039/d1py01565f

N-substituted maleimides have become an indispensable tool for the synthesis of bioconjugates and functional materials. Herein, we present three strategies for the incorporation of N-alkyl substituted maleimides into RAFT agents and show that these m... Read More about Direct routes to functional RAFT agents from substituted N-alkyl maleimides.

Slow magnetic relaxation in Fe(ii) m-terphenyl complexes (2022)
Journal Article
Valentine, A. J., Geer, A. M., Blundell, T. J., Tovey, W., Cliffe, M. J., Davies, E. S., Argent, S. P., Lewis, W., McMaster, J., Taylor, L. J., Reta, D., & Kays, D. L. (2022). Slow magnetic relaxation in Fe(ii) m-terphenyl complexes. Dalton Transactions, 51(47), 18118-18126. https://doi.org/10.1039/d2dt03531f

Two-coordinate transition metal complexes are exciting candidates for single-molecule magnets (SMMs) because their highly axial coordination environments lead to sizeable magnetic anisotropy. We report a series of five structurally related two-coordi... Read More about Slow magnetic relaxation in Fe(ii) m-terphenyl complexes.

Exploring ionic liquids based on pyrrolidinium and imidazolium cations with low toxicity towards Escherichia coli for designing sustainable bioprocesses (2022)
Journal Article
Hernández-Fernández, F. J., de los Ríos, A. P., Licence, P., & Stephens, G. (2022). Exploring ionic liquids based on pyrrolidinium and imidazolium cations with low toxicity towards Escherichia coli for designing sustainable bioprocesses. Journal of Biotechnology, 360, 192-197. https://doi.org/10.1016/j.jbiotec.2022.11.001

Ionic liquids (ILs) are widely applied in many bioprocesses involving microorganisms due to their unique properties. In this work, the toxicity of imidazolium and pyrrolidinium ionic liquids towards E. coli., a bacterium for which there are limited t... Read More about Exploring ionic liquids based on pyrrolidinium and imidazolium cations with low toxicity towards Escherichia coli for designing sustainable bioprocesses.

Exact constraints and appropriate norms in machine-learned exchange-correlation functionals (2022)
Journal Article
Pokharel, K., Furness, J. W., Yao, Y., Blum, V., Irons, T. J. P., Teale, A. M., & Sun, J. (2022). Exact constraints and appropriate norms in machine-learned exchange-correlation functionals. Journal of Chemical Physics, 157(17), Article 174106. https://doi.org/10.1063/5.0111183

Machine learning techniques have received growing attention as an alternative strategy for developing general-purpose density functional approximations, augmenting the historically successful approach of human-designed functionals derived to obey mat... Read More about Exact constraints and appropriate norms in machine-learned exchange-correlation functionals.

Triple dehydrofluorination as a route to amidine-functionalized, aromatic phosphorus heterocycles (2022)
Journal Article
Coles, N. T., Groth, L. J., Dettling, L., Frost, D. S., Rigo, M., Neale, S. E., & Müller, C. (2022). Triple dehydrofluorination as a route to amidine-functionalized, aromatic phosphorus heterocycles. Chemical Communications, 58(98), 13580-13583. https://doi.org/10.1039/d2cc05178h

Hitherto unknown amidine-functionalized phosphabenzenes selectively form by a cascade of dehydrofluorination reactions.

Polyglycerol Adipate-Grafted Polycaprolactone Nanoparticles as Carriers for the Antimicrobial Compound Usnic Acid (2022)
Journal Article
Taresco, V., Tulini, I., Francolini, I., & Piozzi, A. (2022). Polyglycerol Adipate-Grafted Polycaprolactone Nanoparticles as Carriers for the Antimicrobial Compound Usnic Acid. International Journal of Molecular Sciences, 23(22), Article 14339. https://doi.org/10.3390/ijms232214339

Nanoparticle (NP) drug delivery systems are known to potentially enhance the efficacy of therapeutic agents. As for antimicrobial drugs, therapeutic solutions against drug-resistant microbes are urgently needed due to the worldwide antimicrobial resi... Read More about Polyglycerol Adipate-Grafted Polycaprolactone Nanoparticles as Carriers for the Antimicrobial Compound Usnic Acid.

N-Heterocyclic Carbenes: Molecular Porters of Surface Mounted Ru-Porphyrins (2022)
Journal Article
Knecht, P., Meier, D., Reichert, J., Duncan, D. A., Schwarz, M., Küchle, J. T., Lee, T., Deimel, P. S., Feulner, P., Allegretti, F., Auwärter, W., Médard, G., Seitsonen, A. P., Barth, J. V., & Papageorgiou, A. C. (2022). N-Heterocyclic Carbenes: Molecular Porters of Surface Mounted Ru-Porphyrins. Angewandte Chemie International Edition, 61(49), Article e202211877. https://doi.org/10.1002/anie.202211877

Ru-porphyrins act as convenient pedestals for the assembly of N-heterocyclic carbenes (NHCs) on solid surfaces. Upon deposition of a simple NHC ligand on a close packed Ru-porphyrin monolayer, an extraordinary phenomenon can be observed: Ru-porphyrin... Read More about N-Heterocyclic Carbenes: Molecular Porters of Surface Mounted Ru-Porphyrins.

Comparative hydrodynamic characterisation of two hydroxylated polymers based on α-pinene- or oleic acid-derived monomers for potential use as archaeological consolidants (2022)
Journal Article
Cutajar, M., Machado, F., Cuzzucoli Crucitti, V., Braovac, S., Stockman, R. A., Howdle, S. M., & Harding, S. E. (2022). Comparative hydrodynamic characterisation of two hydroxylated polymers based on α-pinene- or oleic acid-derived monomers for potential use as archaeological consolidants. Scientific Reports, 12(1), Article 18411. https://doi.org/10.1038/s41598-022-21027-4

The Oseberg Viking ship burial is one of the most extensive collections of Viking wooden artefacts ever excavated in Norway. In the early twentieth century, many of these artefacts were treated with alum in order to preserve them, inadvertently leadi... Read More about Comparative hydrodynamic characterisation of two hydroxylated polymers based on α-pinene- or oleic acid-derived monomers for potential use as archaeological consolidants.

Blockchain technology in quantum chemistry: A tutorial review for running simulations on a blockchain (2022)
Journal Article
Hanson‐Heine, M. W. D., & Ashmore, A. P. (2022). Blockchain technology in quantum chemistry: A tutorial review for running simulations on a blockchain. International Journal of Quantum Chemistry, Article e27035. https://doi.org/10.1002/qua.27035

Simulations of molecules have recently been performed directly on a blockchain virtual computer at atomic resolution. This tutorial review covers the current applications of blockchain technology for molecular modeling in physics, chemistry, and biol... Read More about Blockchain technology in quantum chemistry: A tutorial review for running simulations on a blockchain.

Evaluative judgement – a practitioner's case in chemistry research projects (2022)
Journal Article
Bertram, A., & Tomas, C. (2023). Evaluative judgement – a practitioner's case in chemistry research projects. Chemistry Education Research and Practice, 24(1), 312-326. https://doi.org/10.1039/d2rp00213b

Engaging students actively in assessment, using a range of formative activities, consistently over sustained periods is a common recommendation in the assessment for learning literature. Despite this, practice still lags behind. Our case study aims t... Read More about Evaluative judgement – a practitioner's case in chemistry research projects.