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Gallium incorporation into phosphate based glasses: bulk and thin film properties (2018)
Journal Article
Stuart, B. W., Grant, C. A., Stan, G. E., Popa, A. C., Titman, J. J., & Grant, D. M. (2018). Gallium incorporation into phosphate based glasses: bulk and thin film properties. Journal of the Mechanical Behavior of Biomedical Materials, 82, https://doi.org/10.1016/j.jmbbm.2018.03.041

The osteogenic ions Ca2+, P5+, Mg2+, and antimicrobial ion Ga3+ were homogenously dispersed into a 1.45 mum thick phosphate glass coating by plasma assisted sputtering onto CP grade titanium. The objective was to deliver therapeutic ions in orthopedi... Read More about Gallium incorporation into phosphate based glasses: bulk and thin film properties.

Basis sets for the calculation of core-electron binding energies (2018)
Journal Article
Hanson-Heine, M. W., George, M. W., & Besley, N. A. (2018). Basis sets for the calculation of core-electron binding energies. Chemical Physics Letters, 699, https://doi.org/10.1016/j.cplett.2018.03.066

Core-electron binding energies (CEBEs) computed within a !self-consistent field approach require large basis sets to achieve convergence with respect to the basis set limit. It is shown that supplementing a basis set with basis functions from the cor... Read More about Basis sets for the calculation of core-electron binding energies.

Ground-based hyperspectral imaging as a tool to identify different carbonate phases in natural cliffs (2018)
Journal Article
Beckert, J., Vandeginste, V., McKean, T. J., Alroichdi, A., & John, C. M. (in press). Ground-based hyperspectral imaging as a tool to identify different carbonate phases in natural cliffs. International Journal of Remote Sensing, 39(12), https://doi.org/10.1080/01431161.2018.1452068

Recent research has shown hyperspectral imaging to be a powerful tool to distinguish carbonate phases with slight compositional differences on quarry cliff faces. The traditional remote sensing set5up uses an optimal short distance between the hypers... Read More about Ground-based hyperspectral imaging as a tool to identify different carbonate phases in natural cliffs.

Structure of ancient glass by 29Si magic angle spinning NMR (2018)
Journal Article
Bradford, H., Ryder, A., Henderson, J., & Titman, J. J. (2018). Structure of ancient glass by 29Si magic angle spinning NMR. Chemistry - A European Journal, 24(29), 7474-7479. https://doi.org/10.1002/chem.201800483

29Si magic angle spinning (MAS) NMR spectroscopy is applied for the first time to the structural analysis of ancient glass samples obtained from archaeological excavations. The results show that it is possible to establish the distribution of Si envi... Read More about Structure of ancient glass by 29Si magic angle spinning NMR.

High capacity surface route discharge at the potassium-O 2 electrode (2018)
Journal Article
Chen, Y., Jovanov, Z. P., Gao, X., Liu, J., Holc, C., Johnson, L. R., & Bruce, P. G. (2018). High capacity surface route discharge at the potassium-O 2 electrode. Journal of Electroanalytical Chemistry, 819, 542-546. https://doi.org/10.1016/j.jelechem.2018.03.041

Discharge by a surface route at the cathode of an aprotic metal-O2 battery typically results in surface passivation by the non-conducting oxide product. This leads to low capacity and early cell death. Here we investigate the cathode discharge reacti... Read More about High capacity surface route discharge at the potassium-O 2 electrode.

Keep the flow: in-line technologies for pure products (2018)
Journal Article
Contente, M. L. (2018). Keep the flow: in-line technologies for pure products. Chimica Oggi-Chemistry Today, 36(1), 35-47

Flow reactor technology represents one of the enabling technologies introduced in the last decade to advance the sustainability of organic synthesis and shows many advantages compared with batch methods, including increased safety, high control of re... Read More about Keep the flow: in-line technologies for pure products.

Controlled depolymerisation, as assessed by analytical ultracentrifugation, of low molecular weight chitosan for potential use in archaeological conservation (2018)
Journal Article
Wakefield, J. M., Gillis, R. B., Adams, G. G., McQueen, C., & Harding, S. E. (2018). Controlled depolymerisation, as assessed by analytical ultracentrifugation, of low molecular weight chitosan for potential use in archaeological conservation. European Biophysics Journal, 47(7), 769-775. https://doi.org/10.1007/s00249-018-1290-6

The heterogeneity and molecular weight of a chitosan of low molecular weight (molar mass) and low degree of acetylation (0.1), for potential use as a consolidant for decayed archaeological wood, has been examined by sedimentation velocity and sedimen... Read More about Controlled depolymerisation, as assessed by analytical ultracentrifugation, of low molecular weight chitosan for potential use in archaeological conservation.

Formation routes and structural details of the CaF1 layer on Si(111) from high-resolution noncontact atomic force microscopy data (2018)
Journal Article
Rahe, P., Smith, E. F., Wollschläger, J., & Moriarty, P. J. (2018). Formation routes and structural details of the CaF1 layer on Si(111) from high-resolution noncontact atomic force microscopy data. Physical Review B, 97(12), https://doi.org/10.1103/PhysRevB.97.125418

We investigate the CaF1/Si(111) interface using a combination of high-resolution scanning tunnelling and noncontact atomic force microscopy operated at cryogenic temperature as well as x-ray photoelectron spectroscopy. Submonolayer CaF1 films grown a... Read More about Formation routes and structural details of the CaF1 layer on Si(111) from high-resolution noncontact atomic force microscopy data.

Electrochemical Sensor for Bilirubin Detection Using Screen Printed Electrodes Functionalized with Carbon Nanotubes and Graphene (2018)
Journal Article
Thangamuthu, M., Gabriel, W., Santschi, C., & Martin, O. (2018). Electrochemical Sensor for Bilirubin Detection Using Screen Printed Electrodes Functionalized with Carbon Nanotubes and Graphene. Sensors, 18(3), Article 800. https://doi.org/10.3390/s18030800

Practice oriented point-of-care diagnostics require easy-to-handle, miniaturized, and low-cost analytical tools. In a novel approach, screen printed carbon electrodes (SPEs), which were functionalized with nanomaterials, are employed for selective me... Read More about Electrochemical Sensor for Bilirubin Detection Using Screen Printed Electrodes Functionalized with Carbon Nanotubes and Graphene.

Synthesis and thermoelectric properties of 2- and 2,8-substituted tetrathiotetracenes (2018)
Journal Article
Robert Garrett, M., Durán-Peña, M. J., Lewis, W., Pudzs, K., Uzulis, J., Mihailovs, I., …Woodward, S. (2018). Synthesis and thermoelectric properties of 2- and 2,8-substituted tetrathiotetracenes. Journal of Materials Chemistry C, 6(13), 3403-3409. https://doi.org/10.1039/c8tc00073e

Reaction of elemental sulfur with 2-R1 and 2,8-R1,R2-substituted tetracenes (2) in refluxing DMF affords 5,6,11,12 tetrathiotetracenes (1) in good yields (74-99%) for a range of substituents where R1,R2 are: H,H (a); Me,H (b); MeO,H (c); Ph,H (d); Me... Read More about Synthesis and thermoelectric properties of 2- and 2,8-substituted tetrathiotetracenes.

Intense vibronic modulation of the chiral photoelectron angular distribution generated by photoionization of limonene enantiomers with circularly polarized synchrotron radiation (2018)
Journal Article
Fanood, M. M. R., Garcia, G. A., Ganjitabar, H., Nahon, L., Turchini, S., & Powis, I. (2018). Intense vibronic modulation of the chiral photoelectron angular distribution generated by photoionization of limonene enantiomers with circularly polarized synchrotron radiation. ChemPhysChem, 19(8), 921-933. https://doi.org/10.1002/cphc.201701248

Photoionization of the chiral monoterpene limonene has been investigated using polarized synchrotron radiation between the adiabatic ionization threshold, 8.505 eV, and 23.5 eV. A rich vibrational structure is seen in the threshold photoelectron spec... Read More about Intense vibronic modulation of the chiral photoelectron angular distribution generated by photoionization of limonene enantiomers with circularly polarized synchrotron radiation.

High-temperature molecular beam epitaxy of hexagonal boron nitride layers (2018)
Journal Article
Cheng, T. S., Summerfield, A., Mellor, C. J., Davies, A., Khlobystov, A. N., Eaves, L., …Novikov, S. V. (in press). High-temperature molecular beam epitaxy of hexagonal boron nitride layers. Journal of Vacuum Science and Technology B, 36(2), Article 02D103-1. https://doi.org/10.1116/1.5011280

The growth and properties of hexagonal boron nitride (hBN) have recently attracted much attention due to applications in graphene-based monolayer thick 2D-structures and at the same time as a wide band gap material for deep-ultraviolet device (DUV) a... Read More about High-temperature molecular beam epitaxy of hexagonal boron nitride layers.

Coulomb fission in multiply-charged ammonia clusters: accurate measurements of the Rayleigh instability limit from fragmentation patterns (2018)
Journal Article
Harris, C., & Stace, A. J. (2018). Coulomb fission in multiply-charged ammonia clusters: accurate measurements of the Rayleigh instability limit from fragmentation patterns. Journal of Physical Chemistry A, 122(10), 2634-2644. https://doi.org/10.1021/acs.jpca.8b00815

A series of experiments have been undertaken on the fragmentation of multiply charged ammonia clusters, (NH3)nz+, where z  8 and n  800, to establish Rayleigh instability limits, whereby clusters at certain critical sizes become unstable due to Cou... Read More about Coulomb fission in multiply-charged ammonia clusters: accurate measurements of the Rayleigh instability limit from fragmentation patterns.

Shining a light on the photo-sensitisation of organic-inorganic hybrid polyoxometalates (2018)
Journal Article
Cameron, J. M., Wales, D. J., & Newton, G. (in press). Shining a light on the photo-sensitisation of organic-inorganic hybrid polyoxometalates. Dalton Transactions, https://doi.org/10.1039/C8DT00400E

Finding new ways of using visible light (or, more specifically, solar irradiation) to drive commercially significant and/or challenging chemical processes is an ongoing research goal. Polyoxometalates (POMs) are discrete, metal-oxide clusters which a... Read More about Shining a light on the photo-sensitisation of organic-inorganic hybrid polyoxometalates.

An ancient family of lytic polysaccharide monooxygenases with roles in arthropod development and biomass digestion (2018)
Journal Article
Sabbadin, F., Hemsworth, G. R., Ciano, L., Henrissat, B., Dupree, P., Tryfona, T., …McQueen-Mason, S. J. (2018). An ancient family of lytic polysaccharide monooxygenases with roles in arthropod development and biomass digestion. Nature Communications, 9, Article 756. https://doi.org/10.1038/s41467-018-03142-x

Thermobia domestica belongs to an ancient group of insects and has a remarkable ability to digest crystalline cellulose without microbial assistance. By investigating the digestive proteome of Thermobia, we have identified over 20 members of an uncha... Read More about An ancient family of lytic polysaccharide monooxygenases with roles in arthropod development and biomass digestion.

Kinetics of lithium peroxide oxidation by redox mediators and consequences for the lithium–oxygen cell (2018)
Journal Article
Chen, Y., Gao, X., Johnson, L. R., & Bruce, P. G. (in press). Kinetics of lithium peroxide oxidation by redox mediators and consequences for the lithium–oxygen cell. Nature Communications, 9, https://doi.org/10.1038/s41467-018-03204-0

Lithium–oxygen cells in which lithium peroxide forms in solution rather than on the electrode surface, can sustain relatively high cycling rates but require redox mediators to charge. The mediators are oxidised at the electrode surface and then oxidi... Read More about Kinetics of lithium peroxide oxidation by redox mediators and consequences for the lithium–oxygen cell.

Heterobimetallic [NiFe] complexes containing mixedCO/CN− ligands: analogs of the active site of the [NiFe]hydrogenases (2018)
Journal Article
Perotto, C. U., Sodipo, C. L., Jones, G. J., Tidey, J. P., Blake, A. J., Lewis, W., …Schröder, M. (in press). Heterobimetallic [NiFe] complexes containing mixedCO/CN− ligands: analogs of the active site of the [NiFe]hydrogenases. Inorganic Chemistry, 57(5), https://doi.org/10.1021/acs.inorgchem.7b02905

The development of synthetic analogs of the active sites of [NiFe] hydrogenases remains challenging and, in spite of the number of complexes featuring a [NiFe] center, those featuring CO and CN− ligands at the Fe center are under-represented. We repo... Read More about Heterobimetallic [NiFe] complexes containing mixedCO/CN− ligands: analogs of the active site of the [NiFe]hydrogenases.

Author Correction: Additive manufacture of complex 3D Au-containing nanocomposites by simultaneous two-photon polymerisation and photoreduction (2018)
Journal Article
Hu, Q., Sun, X., Parmenter, C. D. J., Fay, M. W., Smith, E. F., Rance, G. A., …Wildman, R. (2018). Author Correction: Additive manufacture of complex 3D Au-containing nanocomposites by simultaneous two-photon polymerisation and photoreduction. Scientific Reports, 8(1), Article 3512. https://doi.org/10.1038/s41598-018-21513-8

A correction to this article has been published and is linked from the HTML and PDF versions of this paper. The error has not been fixed in the paper.

Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes (2018)
Journal Article
Hanson-Heine, M. W., George, M. W., & Besley, N. A. (in press). Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes. Chemical Physics Letters, https://doi.org/10.1016/j.cplett.2018.02.028

The non-resonant X-ray emission spectroscopy of fullerenes and carbon nanotubes is studied with density functional theory in conjunction with short-range corrected functionals. For C60 and C70 the X-ray emission spectra are insensitive to modest stru... Read More about Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes.

Magnetic shepherding of nanocatalysts through hierarchically-assembled Fe-filled CNTs hybrid (2018)
Journal Article
Melchionna, M., Beltram, A., Stopin, A., Montini, T., Lodge, R. W., Khlobystov, A. N., …Fornasiero, P. (2018). Magnetic shepherding of nanocatalysts through hierarchically-assembled Fe-filled CNTs hybrid. Applied Catalysis B: Environmental, 227, https://doi.org/10.1016/j.apcatb.2018.01.049

Mechanically robust, chemically stable and electronically active carbon nanotubes (CNTs) are widely used as supports in catalysis. Synergistic effects between CNT and the active phase critically depend on the homogeneity of the carbon/inorganic inter... Read More about Magnetic shepherding of nanocatalysts through hierarchically-assembled Fe-filled CNTs hybrid.