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A Manufacturing Perspective on Graphene Dispersions (2015)
Journal Article
Johnson, D., Dobson, B., & Coleman, K. (2015). A Manufacturing Perspective on Graphene Dispersions. Current Opinion in Colloid and Interface Science, 20(5-6), 367-382. https://doi.org/10.1016/j.cocis.2015.11.004

Harnessing the exceptional physical properties of graphene often requires its dispersion into aqueous or organic media. Dispersion must be achieved at a concentration and stability appropriate to the final application. However, the strong interaction... Read More about A Manufacturing Perspective on Graphene Dispersions.

Synthesis of polyfluorinated terphenyl and styrene derivatives by palladium catalysed C-F bond activation of polyfluoronitroaromatic substrates (2015)
Journal Article
Gadsby, J., McPake, C., Murray, C., & Sandford, G. (2016). Synthesis of polyfluorinated terphenyl and styrene derivatives by palladium catalysed C-F bond activation of polyfluoronitroaromatic substrates. Journal of Fluorine Chemistry, 181, 51-55. https://doi.org/10.1016/j.jfluchem.2015.10.015

Short series of polyfluorinated terphenyl and styrene derivatives were synthesised by palladium catalysed carbon–fluorine bond activation processes involving cross coupling reactions of polyfluorinated nitrobenzene and aryl- and vinyl-boron substrate... Read More about Synthesis of polyfluorinated terphenyl and styrene derivatives by palladium catalysed C-F bond activation of polyfluoronitroaromatic substrates.

Metal–ion promoted cleavage of nucleoside diphosphosugars: A model for reactions of phosphodiester bonds in carbohydrates (2015)
Journal Article
Dano, M., Elmeranta, M., Hodgson, D. R., Jaakkola, J., Korhonen, H., & Mikkola, S. (2015). Metal–ion promoted cleavage of nucleoside diphosphosugars: A model for reactions of phosphodiester bonds in carbohydrates. JBIC Journal of Biological Inorganic Chemistry, 20(8), 1299-1306. https://doi.org/10.1007/s00775-015-1308-9

Cleavage of five different nucleoside diphosphosugars has been studied in the presence of Cu2+ and Zn2+ complexes. The results show that metal ion catalysts promote the cleavage via intramolecular transesterification whenever a neighbouring HO group... Read More about Metal–ion promoted cleavage of nucleoside diphosphosugars: A model for reactions of phosphodiester bonds in carbohydrates.

Batch and Flow Synthesis of Pyrrolo[1,2-a]-quinolines via an Allene-Based Reaction Cascade (2015)
Journal Article
Baumann, B., & Baxendale, I. (2015). Batch and Flow Synthesis of Pyrrolo[1,2-a]-quinolines via an Allene-Based Reaction Cascade. Journal of Organic Chemistry, 80(21), 10806-10816. https://doi.org/10.1021/acs.joc.5b01982

An efficient reaction cascade delivering a series of pyrrolo[1,2-a]quinolines bearing phosphonate or phosphine oxide moieties is presented. This sequence exploits the in situ transformation of propargylic alcohols into transient allenes by means of a... Read More about Batch and Flow Synthesis of Pyrrolo[1,2-a]-quinolines via an Allene-Based Reaction Cascade.

Preparation of an antibacterial poly(ionic liquid) graft copolymer of hydroxyethyl cellulose (2015)
Journal Article
Joubert, F., Yeo, R. P., Sharples, G. J., Musa, O. M., Hodgson, D. R., & Cameron, N. R. (2015). Preparation of an antibacterial poly(ionic liquid) graft copolymer of hydroxyethyl cellulose. Biomacromolecules, 16(12), 397-3979. https://doi.org/10.1021/acs.biomac.5b01300

Poly(ionic liquid)s (P(IL)s) of different degrees of polymerisation (10, 50 and 100) were prepared via RAFT polymerisation using an alkyne-terminated xanthate as transfer agent, with a monomer conversion of up to ~80% and a ƉM of 1.5 for P(IL)100. Su... Read More about Preparation of an antibacterial poly(ionic liquid) graft copolymer of hydroxyethyl cellulose.

Key role of the linker in pyrene-linker-carboxylate surfactants for the efficient aqueous dispersion of multiwalled carbon nanotubes (2015)
Journal Article
Welsh, D. J., O'Driscoll, L. J., Bailey, S. W., Visontai, D., Howes, K., Frampton, H., …Lambert, C. J. (2015). Key role of the linker in pyrene-linker-carboxylate surfactants for the efficient aqueous dispersion of multiwalled carbon nanotubes. RSC Advances, 5(115), 95360-95368. https://doi.org/10.1039/c5ra20250g

This study establishes that the structure of the linker group between the hydrophobic and hydrophilic units in the new surfactants 1–13 plays an important role in the dispersibility of multiwalled carbon nanotubes (MWNTs) in water. The systematic var... Read More about Key role of the linker in pyrene-linker-carboxylate surfactants for the efficient aqueous dispersion of multiwalled carbon nanotubes.

Tuning the Lewis acid phenol ortho-prenylation as a molecular diversity tool (2015)
Journal Article
Jäger, S. N., Porta, E. O., & Labadie, G. R. (2016). Tuning the Lewis acid phenol ortho-prenylation as a molecular diversity tool. Molecular Diversity, 20(2), 407-419. https://doi.org/10.1007/s11030-015-9644-9

A diversity-oriented approach for the synthesis of various structurally different prenylated alcohols from readily accessible and common precursors was developed. With varying approaches, this article describes some successful examples of a Friedel–C... Read More about Tuning the Lewis acid phenol ortho-prenylation as a molecular diversity tool.

Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium (2015)
Journal Article
Radcliffe, J. E., Batsanov, A. S., Smith, D. M., Scott, J. A., Dyer, P. W., & Hanton, M. J. (2015). Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium. ACS Catalysis, 5(12), 7095-7098. https://doi.org/10.1021/acscatal.5b02106

1-Phosphanyl methanimine ligands, R2P–C(Ph)═NR′, may be prepared via a modular, convergent synthesis in good overall yield. Coordination chemistry studies with chromium confirm that they bind in a bidentate κ2-P,N mode. In combination with chromium a... Read More about Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium.

Modeling sympathetic cooling of molecules by ultracold atoms (2015)
Journal Article
Lim, J., Frye, M. D., Hutson, J. M., & Tarbutt, M. R. (2015). Modeling sympathetic cooling of molecules by ultracold atoms. Physical Review A, 92(5), Article 053419. https://doi.org/10.1103/physreva.92.053419

We model sympathetic cooling of ground-state CaF molecules by ultracold Li and Rb atoms. The molecules are moving in a microwave trap, while the atoms are trapped magnetically. We calculate the differential elastic cross sections for CaF-Li and CaF-R... Read More about Modeling sympathetic cooling of molecules by ultracold atoms.

Multi-scale Approaches to Dynamical Transmission of Protein Allostery (2015)
Presentation / Conference Contribution
Townsend, P., Rodgers, T., Pohl, E., Wilson, M., Cann, M., & McLeish, T. (2015). Multi-scale Approaches to Dynamical Transmission of Protein Allostery. In L. Olivares-Quiroz, O. Guzmán-López, & H. E. Jardón-Valadez (Eds.), Physical Biology of Proteins and Peptides: Theory, Experiment, and Simulation (141-152). https://doi.org/10.1007/978-3-319-21687-4_8

We review the idea that allosteric interactions can be transmitted not by structural switching but by the more subtle route of modulation of the amplitude of thermally-activated global dynamical modes in allosteric proteins. The effect is naturally a... Read More about Multi-scale Approaches to Dynamical Transmission of Protein Allostery.

Selective oxidation of cyclohexene through gold functionalized silica monolith microreactors (2015)
Journal Article
Alotaibi, M. T., Taylor, M. J., Liu, D., Beaumont, S. K., & Kyriakou, G. (2016). Selective oxidation of cyclohexene through gold functionalized silica monolith microreactors. Surface Science, 646, 179-185. https://doi.org/10.1016/j.susc.2015.10.039

Two simple, reproducible methods of preparing evenly distributed Au nanoparticle containing mesoporous silica monoliths are investigated. These Au nanoparticle containing monoliths are subsequently investigated as flow reactors for the selective oxid... Read More about Selective oxidation of cyclohexene through gold functionalized silica monolith microreactors.

Gelation by supramolecular dimerization of mono(urea)s (2015)
Journal Article
Hooper, A. E., Kennedy, S. R., Jones, C. D., & Steed, J. W. (2016). Gelation by supramolecular dimerization of mono(urea)s. Chemical Communications, 52(1), 198-201. https://doi.org/10.1039/c5cc06995e

Mono-ureido salicylic acid derivatives form hydrogen bonded dimers that mimic the gelation behaviour of covalently linked bis(urea)s. The 5-ureido salicylic acid isomers are much more effective gelators because of the lowered conjugation and less pla... Read More about Gelation by supramolecular dimerization of mono(urea)s.

Are there ergodic limits to evolution? Ergodic exploration of genome space and convergence (2015)
Journal Article
McLeish, T. (2015). Are there ergodic limits to evolution? Ergodic exploration of genome space and convergence. Interface Focus, 5(6), Article 20150041. https://doi.org/10.1098/rsfs.2015.0041

We examine the analogy between evolutionary dynamics and statistical mechanics to include the fundamental question of ergodicity—the representative exploration of the space of possible states (in the case of evolution this is genome space). Several p... Read More about Are there ergodic limits to evolution? Ergodic exploration of genome space and convergence.

Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations (2015)
Journal Article
Gluyas, J., Manici, V., Gückel, S., Vincent, K., Yufit, D., Howard, J., …Low, P. (2015). Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations. Journal of Organic Chemistry, 80(22), 11501-11512. https://doi.org/10.1021/acs.joc.5b02240

A series of cross-conjugated compounds based on an (E)-4,4′-(hexa-3-en-1,5-diyne-3,4-diyl)bis(N,N-bis(4-methoxyphenyl)aniline) skeleton (1–6) have been synthesized. The linear optical absorption properties can be tuned by modification of the substitu... Read More about Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.

Total syntheses of natural products containing spirocarbocycles (2015)
Journal Article
Smith, L., & Baxendale, I. (2015). Total syntheses of natural products containing spirocarbocycles. Organic and Biomolecular Chemistry, 13(39), 9907-9933. https://doi.org/10.1039/c5ob01524c

The structures of natural products from a variety of sources contain spirocycles, two rings that share a common atom. The spiro motif is finding increasing inclusion in drug candidates, and as a structural component in several promising classes of ch... Read More about Total syntheses of natural products containing spirocarbocycles.

Intercombination effects in resonant energy transfer (2015)
Journal Article
Vaillant, C., Potvliege, R., & Jones, M. (2015). Intercombination effects in resonant energy transfer. Physical Review A, 92(4), Article 042705. https://doi.org/10.1103/physreva.92.042705

We investigate the effect of intercombination transitions in excitation hopping processes such as those found in Förster resonance energy transfer. Taking strontium Rydberg states as our model system, the breakdown of LS coupling leads to weakly allo... Read More about Intercombination effects in resonant energy transfer.

Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy (2015)
Journal Article
Willis, N., Fisher, C., Alder, C., Harsanyi, A., Shukla, L., Adams, J., & Sandford, G. (2016). Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy. Green Chemistry, 18(5), 1313-1318. https://doi.org/10.1039/c5gc02209f

Pharmaceutically important chiral fluorolactam derivatives bearing a fluorine atom at a stereogenic centre were synthesized by a route involving copper catalyzed selective direct fluorination using fluorine gas for the construction of the key C–F bon... Read More about Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy.

Fractional electron loss in approximate DFT and Hartree-Fock theory (2015)
Journal Article
Peach, M., Teale, A., Helgaker, T., & Tozer, D. (2015). Fractional electron loss in approximate DFT and Hartree-Fock theory. Journal of Chemical Theory and Computation, 11(11), 5262-5268. https://doi.org/10.1021/acs.jctc.5b00804

Plots of electronic energy vs electron number, determined using approximate density functional theory (DFT) and Hartree–Fock theory, are typically piecewise convex and piecewise concave, respectively. The curves also commonly exhibit a minimum and ma... Read More about Fractional electron loss in approximate DFT and Hartree-Fock theory.