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Green enzymatic synthesis and processing of poly (cis-9,10-epoxy-18-hydroxyoctadecanoic acid) in supercritical carbon dioxide (scCO2) (2021)
Journal Article
Sagnelli, D., Vestri, A., Curia, S., Taresco, V., Santagata, G., Johansson, M. K., & Howdle, S. M. (2021). Green enzymatic synthesis and processing of poly (cis-9,10-epoxy-18-hydroxyoctadecanoic acid) in supercritical carbon dioxide (scCO2). European Polymer Journal, 161, Article 110827. https://doi.org/10.1016/j.eurpolymj.2021.110827

There is significant potential for industrial use of renewables for a wide range of materials demanded by society. Plants, trees and algae are increasingly attracting attention as sustainable sources for functionalised and polymerizable building bloc... Read More about Green enzymatic synthesis and processing of poly (cis-9,10-epoxy-18-hydroxyoctadecanoic acid) in supercritical carbon dioxide (scCO2).

Gaussian Process Models of Potential Energy Surfaces with Boundary Optimisation (2021)
Journal Article
Broad, J., Preston, S., Wheatley, R. J., & Graham, R. S. (2021). Gaussian Process Models of Potential Energy Surfaces with Boundary Optimisation. Journal of Chemical Physics, 155(14), Article 144106. https://doi.org/10.1063/5.0063534

A strategy is outlined to reduce the number of training points required to model intermolecular potentials using Gaussian processes, without reducing accuracy. An asymptotic function is used at long range and the cross-over distance between this mode... Read More about Gaussian Process Models of Potential Energy Surfaces with Boundary Optimisation.

Gaussian process models of potential energy surfaces with boundary optimization (2021)
Journal Article
Broad, J., Preston, S., Wheatley, R. J., & Graham, R. S. (2021). Gaussian process models of potential energy surfaces with boundary optimization. Journal of Chemical Physics, 155(14), Article 144106. https://doi.org/10.1063/5.0063534

A strategy is outlined to reduce the number of training points required to model intermolecular potentials using Gaussian processes, without reducing accuracy. An asymptotic function is used at a long range, and the crossover distance between this mo... Read More about Gaussian process models of potential energy surfaces with boundary optimization.

Light-controlled micron-scale molecular motion (2021)
Journal Article
Samperi, M., Bdiri, B., Sleet, C. D., Markus, R., Mallia, A. R., Pérez-García, L., & Amabilino, D. B. (2021). Light-controlled micron-scale molecular motion. Nature Chemistry, 13(12), 1200-1206. https://doi.org/10.1038/s41557-021-00791-2

The micron-scale movement of biomolecules along supramolecular pathways, mastered by nature, is a remarkable system requiring strong yet reversible interactions between components under the action of a suitable stimulus. Responsive microscopic system... Read More about Light-controlled micron-scale molecular motion.

GPhos Ligand Enables Production of Chiral N-Arylamines in a Telescoped Transaminase-Buchwald-Hartwig Amination Cascade in the Presence of Excess Amine Donor (2021)
Journal Article
Heckmann, C. M., & Paradisi, F. (2021). GPhos Ligand Enables Production of Chiral N-Arylamines in a Telescoped Transaminase-Buchwald-Hartwig Amination Cascade in the Presence of Excess Amine Donor. Chemistry - A European Journal, 27(67), 16616-16620. https://doi.org/10.1002/chem.202103472

The combination of biocatalysis and chemocatalysis can be more powerful than either technique alone. However, combining the two is challenging due to typically very different reaction conditions. Herein, chiral N-aryl amines, key features of many act... Read More about GPhos Ligand Enables Production of Chiral N-Arylamines in a Telescoped Transaminase-Buchwald-Hartwig Amination Cascade in the Presence of Excess Amine Donor.

Phosphine-Catalyzed Aryne Oligomerization: Direct Access to α,ω-Bisfunctionalized Oligo(ortho-arylenes) (2021)
Journal Article
Bürger, M., Ehrhardt, N., Barber, T., Ball, L. T., Namyslo, J. C., Jones, P. G., & Werz, D. B. (2021). Phosphine-Catalyzed Aryne Oligomerization: Direct Access to α,ω-Bisfunctionalized Oligo(ortho-arylenes). Journal of the American Chemical Society, 143(40), 16796-16803. https://doi.org/10.1021/jacs.1c08689

A phosphine-catalyzed oligomerization of arynes using selenocyanates was developed. The use of JohnPhos as a bulky phosphine is the key to accessing α,ω-bisfunctionalized oligo(ortho-arylenes) with RSe as the substituent at one terminus and CN as the... Read More about Phosphine-Catalyzed Aryne Oligomerization: Direct Access to α,ω-Bisfunctionalized Oligo(ortho-arylenes).

Counting molecules in nano test tubes: a method for determining the activation parameters of thermally driven reactions through direct imaging (2021)
Journal Article
Fung, K. L. Y., Skowron, S. T., Allen, C. S., & Khlobystov, A. N. (2021). Counting molecules in nano test tubes: a method for determining the activation parameters of thermally driven reactions through direct imaging. Chemical Communications, 57(81), 10628-10631. https://doi.org/10.1039/d1cc03827c

A methodology for measuring activation parameters of a thermally driven chemical reaction by direct imaging and counting reactant molecules has been developed. The method combines the use of single walled carbon nanotubes (SWNTs) as a nano test tube,... Read More about Counting molecules in nano test tubes: a method for determining the activation parameters of thermally driven reactions through direct imaging.

Synthesis of Quinolone Antibiotic Analogues: A Multistep Synthetic Chemistry Experiment for Undergraduates (2021)
Journal Article
Bailie, A. E., & Nortcliffe, A. (2021). Synthesis of Quinolone Antibiotic Analogues: A Multistep Synthetic Chemistry Experiment for Undergraduates. Journal of Chemical Education, 98(10), 3333-3340. https://doi.org/10.1021/acs.jchemed.1c00459

A multistep synthesis of quinolone antibiotic analogues was developed as a laboratory experiment for intermediate/advanced undergraduate students. Students can synthesize a range of desfluoroenoxacin analogues via a five-step sequence. The experiment... Read More about Synthesis of Quinolone Antibiotic Analogues: A Multistep Synthetic Chemistry Experiment for Undergraduates.

Palladium Nanoparticles Hardwired in Carbon Nanoreactors Enable Continually Increasing Electrocatalytic Activity During the Hydrogen Evolution Reaction (2021)
Journal Article
Aygün, M., Guillen-Soler, M., Manuel Vila-Fungueiriño, J., Kurtoglu, A., Chamberlain, T., Khlobystov, A. N., & del Carmen Gimenez Lopez, M. (2021). Palladium Nanoparticles Hardwired in Carbon Nanoreactors Enable Continually Increasing Electrocatalytic Activity During the Hydrogen Evolution Reaction. ChemSusChem, 14(22), 4973-4984. https://doi.org/10.1002/cssc.202101236

Catalysts typically lose effectiveness during operation, with much effort invested in stabilising active metal centres to prolong their functional lifetime for as long as possible. In this study palladium nanoparticles (PdNP) supported inside hollow... Read More about Palladium Nanoparticles Hardwired in Carbon Nanoreactors Enable Continually Increasing Electrocatalytic Activity During the Hydrogen Evolution Reaction.

A ring of grids: a giant spin-crossover cluster (2021)
Journal Article
Shiga, T., Tachibana, M., Sagayama, H., Kumai, R., Newton, G. N., Oshio, H., & Nihei, M. (2021). A ring of grids: a giant spin-crossover cluster. Chemical Communications, 57(79), 10162-10165. https://doi.org/10.1039/d1cc04346c

Mononuclear and icosanuclear spin-crossover complexes, [FeII(HL)2](BF4)2(1) and [FeII 20(L)24](BF4)16(2), were synthesized using an asymmetric multidentate ligand (HL).1has a bis-chelate structure with two protonated ligands, while2has a ring-shape s... Read More about A ring of grids: a giant spin-crossover cluster.

Stereochemistry and Twisted Crystals (2021)
Journal Article
Killalea, C. E., & Amabilino, D. B. (2021). Stereochemistry and Twisted Crystals. Israel Journal of Chemistry, 61(9-10), 629-644. https://doi.org/10.1002/ijch.202100063

This review article discusses a link between stereochemistry and structural and morphological chirality. We present the remarkably frequent, but less often reported, growth of twisted crystals and discuss the reasons for their formation and ways to f... Read More about Stereochemistry and Twisted Crystals.

Integrated Multistep Photochemical and Thermal Continuous Flow Reactions: Production of Bicyclic Lactones with Kilogram Productivity (2021)
Journal Article
Howie, R. A., Elliott, L. D., Kayal, S., Sun, X. Z., Hanson-Heine, M. W., Hunter, J., …George, M. W. (2021). Integrated Multistep Photochemical and Thermal Continuous Flow Reactions: Production of Bicyclic Lactones with Kilogram Productivity. Organic Process Research and Development, 25(9), 2052-2059. https://doi.org/10.1021/acs.oprd.1c00089

Combining continuous photochemistry and flow reactions in high-temperature/high-pressure water has enabled us to integrate a multistep sequence into a single process with a reduction in reaction time to 24 h in batch. At the same time, applying this... Read More about Integrated Multistep Photochemical and Thermal Continuous Flow Reactions: Production of Bicyclic Lactones with Kilogram Productivity.

Synthesis of ultrathin rhenium disulfide nanoribbons using nano test tubes (2021)
Journal Article
Norman, L. T., Biskupek, J., Rance, G. A., Stoppiello, C. T., Kaiser, U., & Khlobystov, A. N. (2022). Synthesis of ultrathin rhenium disulfide nanoribbons using nano test tubes. Nano Research, 15(2), 1282-1287. https://doi.org/10.1007/s12274-021-3650-2

The synthesis of ultrathin rhenium disulfide (ReS2) nanoribbons within single-walled carbon nanotubes (SWNTs) has been established. Dirhenium decacarbonyl complex is encapsulated into the SWNTs to provide a source of confined rhenium atoms, which rea... Read More about Synthesis of ultrathin rhenium disulfide nanoribbons using nano test tubes.

Continuous‐Flow Synthesis of Orange Emitting Sn(II)‐Doped CsBr Materials (2021)
Journal Article
Das Adhikari, S., Masi, S., Echeverría‐Arrondo, C., Miralles‐Comins, S., Sánchez, R. S., Fernandes, J. A., …Mora‐Seró, I. (2021). Continuous‐Flow Synthesis of Orange Emitting Sn(II)‐Doped CsBr Materials. Advanced Optical Materials, 9(21), Article 2101024. https://doi.org/10.1002/adom.202101024

An ongoing demand toward lead-free all-inorganic cesium metal halide perovskites has presented Sn(II) as an ideal substitute of Pb(II) for applications in optoelectronic devices. The major concern regarding Sn(II) is the instability due to the ambien... Read More about Continuous‐Flow Synthesis of Orange Emitting Sn(II)‐Doped CsBr Materials.

Experimental measurement and prediction of ionic liquid ionisation energies (2021)
Journal Article
Seymour, J. M., Gousseva, E., Large, A. I., Clarke, C. J., Licence, P., Fogarty, R. M., …Lovelock, K. R. J. (2021). Experimental measurement and prediction of ionic liquid ionisation energies. Physical Chemistry Chemical Physics, 23(37), 20957-20973. https://doi.org/10.1039/d1cp02441h

Ionic liquid (IL) valence electronic structure provides key descriptors for understanding and predicting IL properties. The ionisation energies of 60 ILs are measured and the most readily ionised valence state of each IL (the highest occupied molecul... Read More about Experimental measurement and prediction of ionic liquid ionisation energies.

Selective suppression of {112} anatase facets by fluorination for enhanced TiO2 particle size and phase stability at elevated temperatures (2021)
Journal Article
Kohlrausch, E. C., Dos Reis, R., Lodge, R. W., Vicente, I., Brolo, A. G., Dupont, J., …Santos, M. J. L. (2021). Selective suppression of {112} anatase facets by fluorination for enhanced TiO2 particle size and phase stability at elevated temperatures. Nanoscale Advances, 3(21), 6223-6230. https://doi.org/10.1039/d1na00528f

Generally, anatase is the most desirable TiO2 polymorphic phase for photovoltaic and photocatalytic applications due to its higher photoconductivity and lower recombination rates compared to the rutile phase. However, in applications where temperatur... Read More about Selective suppression of {112} anatase facets by fluorination for enhanced TiO2 particle size and phase stability at elevated temperatures.

Generation and Characterization of a Library of Novel Biologically Active Functional Surfactants (Surfmers) Using Combined High-Throughput Methods (2021)
Journal Article
Cuzzucoli Crucitti, V., Contreas, L., Taresco, V., Howard, S. C., Dundas, A. A., Limo, M. J., …Irvine, D. J. (2021). Generation and Characterization of a Library of Novel Biologically Active Functional Surfactants (Surfmers) Using Combined High-Throughput Methods. ACS Applied Materials and Interfaces, 13(36), 43290-43300. https://doi.org/10.1021/acsami.1c08662

We report the first successful combination of three distinct high-throughput techniques to deliver the accelerated design, synthesis, and property screening of a library of novel, bio-instructive, polymeric, comb-graft surfactants. These three-dimens... Read More about Generation and Characterization of a Library of Novel Biologically Active Functional Surfactants (Surfmers) Using Combined High-Throughput Methods.