All Outputs (1452)

Triplet Excitation and Electroluminescence from a Supramolecular Monolayer Embedded in a Boron Nitride Tunnel Barrier (2019)
Journal Article
Svatek, S. A., Kerfoot, J., Summerfield, A., Nizovtsev, A. S., Korolkov, V. V., Taniguchi, T., …Beton, P. H. (2020). Triplet Excitation and Electroluminescence from a Supramolecular Monolayer Embedded in a Boron Nitride Tunnel Barrier. Nano Letters, 20(1), 278-283. https://doi.org/10.1021/acs.nanolett.9b03787

© 2019 American Chemical Society. We show that ordered monolayers of organic molecules stabilized by hydrogen bonding on the surface of exfoliated few-layer hexagonal boron nitride (hBN) flakes may be incorporated into van der Waals heterostructures... Read More about Triplet Excitation and Electroluminescence from a Supramolecular Monolayer Embedded in a Boron Nitride Tunnel Barrier.

Protein Encapsulation of Experimental Anticancer Agents 5F 203 and Phortress: Towards Precision Drug Delivery (2019)
Journal Article
Breen, A. F., Scurr, D., Cassioli, M. L., Wells, G., Thomas, N. R., Zhang, J., …Bradshaw, T. D. (2019). Protein Encapsulation of Experimental Anticancer Agents 5F 203 and Phortress: Towards Precision Drug Delivery. International Journal of Nanomedicine, 14, 9525-9534. https://doi.org/10.2147/IJN.S226293

Introduction: Advancment of novel anticancer drugs into clinic is frequently halted by their lack of solubility, reduced stability under physiological conditions, and non-specific uptake by normal tissues, causing systemic toxicity. Their progress to... Read More about Protein Encapsulation of Experimental Anticancer Agents 5F 203 and Phortress: Towards Precision Drug Delivery.

Indigo Formation and Rapid NADPH Consumption Provide Robust Prediction of Raspberry Ketone Synthesis by Engineered Cytochrome P450 BM3 (2019)
Journal Article
Pelletier, J. N., Rousseau, O., Ebert, M. C. C. J. C., Quaglia, D., Fendri, A., Parisien, A. H., …Iyathurai, S. (2020). Indigo Formation and Rapid NADPH Consumption Provide Robust Prediction of Raspberry Ketone Synthesis by Engineered Cytochrome P450 BM3. ChemCatChem, 12(3), 837-845. https://doi.org/10.1002/cctc.201901974

Natural raspberry ketone has a high value in the flavor, fragrance and pharmaceutical industries. Its extraction is costly, justifying the search for biosynthetic routes. We hypothesized that cytochrome P450 BM3 (P450 BM3) could be engineered to cata... Read More about Indigo Formation and Rapid NADPH Consumption Provide Robust Prediction of Raspberry Ketone Synthesis by Engineered Cytochrome P450 BM3.

Conjugate Addition Routes to 2-alkyl-2,3-dihydroquinolin-4(1H)-ones and 2-alkyl-4-hydroxy-1,2-dihydroquinoline-3-carboxylates (2019)
Journal Article
Kingsbury, A., Brough, S., Pedrina McCarthy, A., Lewis, W., & Woodward, S. (2020). Conjugate Addition Routes to 2-alkyl-2,3-dihydroquinolin-4(1H)-ones and 2-alkyl-4-hydroxy-1,2-dihydroquinoline-3-carboxylates. European Journal of Inorganic Chemistry, 2020(11-12), 1011-1017. https://doi.org/10.1002/ejic.201901036

Under CuBr·SMe2/PPh3 catalysis (5/10 mol-%) RMgCl (R = Me, Et, nPr, CH=CH2, nBu, iBu, nC5H11, cC6H11, Bn, CH2Bn, nC11H23) readily (-78 oC) undergo 1,4-addition to Cbz or Boc protected quinolin-4(1H)-ones to provide 2-alkyl-2,3-dihydroquinolin-4(1H)-o... Read More about Conjugate Addition Routes to 2-alkyl-2,3-dihydroquinolin-4(1H)-ones and 2-alkyl-4-hydroxy-1,2-dihydroquinoline-3-carboxylates.

Infrared spectroscopy of a small ion solvated by helium: OH stretching region of HeN-HOCO+ (2019)
Journal Article
Davies, J. A., Besley, N. A., Yang, S., & Ellis, A. M. (2019). Infrared spectroscopy of a small ion solvated by helium: OH stretching region of HeN-HOCO+. Journal of Chemical Physics, 151(19), Article 194307. https://doi.org/10.1063/1.5124137

Messenger spectroscopy is a well-established method for recording infrared (IR) spectra of molecular ions. It relies upon the tagging of weakly bound atoms or molecules, known as the “messenger,” to the ion of interest. The ideal tag species is heliu... Read More about Infrared spectroscopy of a small ion solvated by helium: OH stretching region of HeN-HOCO+.

Synthesis of MIL-53 thin films by vapour-assisted conversion (2019)
Journal Article
Warfsmann, J., Tokay, B., & Champness, N. R. (2020). Synthesis of MIL-53 thin films by vapour-assisted conversion. CrystEngComm, 22(6), 1009-1017. https://doi.org/10.1039/c9ce01644a

A simple method for the preparation of MIL-53 thin films is reported. By employing a vapour-assisted conversion (VAC) approach we were able to prepare homogeneous MIL-53 films on a variety of glass, silicon or alumina substrates. Our strategy uses a... Read More about Synthesis of MIL-53 thin films by vapour-assisted conversion.

A general method to produce mesoporous oxide spherical particles through an aerosol method from aqueous solutions (2019)
Journal Article
Zelcer, A., Franceschini, E. A., Lombardo, M. V., Lanterna, A. E., & Soler-Illia, G. J. A. A. (2020). A general method to produce mesoporous oxide spherical particles through an aerosol method from aqueous solutions. Journal of Sol-Gel Science and Technology, 94(1), 195-204. https://doi.org/10.1007/s10971-019-05175-0

Mesoporous transition metal oxides (MTMO) with large surface area, nanocrystalline framework, and controlled porosity have brilliant prospects in fields such as energy, environment, catalysis, or nanomedicine. However, the green, reproducible, and sc... Read More about A general method to produce mesoporous oxide spherical particles through an aerosol method from aqueous solutions.

Niobium-based semiconductor electrodes for hydrogen evolution reaction (2019)
Journal Article
Franceschini, E. A., Hainer, A., & Lanterna, A. E. (2019). Niobium-based semiconductor electrodes for hydrogen evolution reaction. International Journal of Hydrogen Energy, 44(60), 31940-31948. https://doi.org/10.1016/j.ijhydene.2019.10.101

This contribution focusses on the use of Nb-based materials for the preparation of hybrid nickel-semiconductor electrodes for use in the electrochemical generation of hydrogen. The Nb-based semiconductors (i.e., Nb2O5 and Nb3(PO4)5) show good perform... Read More about Niobium-based semiconductor electrodes for hydrogen evolution reaction.

Stereoselective Reduction of Prochiral Cyclic 1,3-Diketones Using Different Biocatalysts (2019)
Journal Article
Contente, M. L., Dall’Oglio, F., Annunziata, F., Molinari, F., Rabuffetti, M., Romano, D., …Pinto, A. (2020). Stereoselective Reduction of Prochiral Cyclic 1,3-Diketones Using Different Biocatalysts. Catalysis Letters, 150(4), 1176-1185. https://doi.org/10.1007/s10562-019-03015-y

We have developed biocatalytic methods for the stereoselective reduction of cyclic prochiral 1,3-diketones for the production of optically active β-hydroxyketones and/or 1,3-diols. The recombinant ketoreductase KRED1-Pglu (formulated as purified cata... Read More about Stereoselective Reduction of Prochiral Cyclic 1,3-Diketones Using Different Biocatalysts.

Formation of a Copper(II)–Tyrosyl Complex at the Active Site of Lytic Polysaccharide Monooxygenases Following Oxidation by H2O2 (2019)
Journal Article
Paradisi, A., Johnston, E. M., Tovborg, M., Nicoll, C. R., Ciano, L., Dowle, A., …Walton, P. H. (2019). Formation of a Copper(II)–Tyrosyl Complex at the Active Site of Lytic Polysaccharide Monooxygenases Following Oxidation by H2O2. Journal of the American Chemical Society, 141(46), 18585-18599. https://doi.org/10.1021/jacs.9b09833

Hydrogen peroxide is a cosubstrate for the oxidative cleavage of saccharidic substrates by copper-containing lytic polysaccharide monooxygenases (LPMOs). The rate of reaction of LPMOs with hydrogen peroxide is high, but it is accompanied by rapid in... Read More about Formation of a Copper(II)–Tyrosyl Complex at the Active Site of Lytic Polysaccharide Monooxygenases Following Oxidation by H2O2.

The Interface between Li6.5La3Zr1.5Ta0.5O12 and Liquid Electrolyte (2019)
Journal Article
Liu, J., Gao, X., Hartley, G. O., Rees, G. J., Gong, C., Richter, F. H., …Bruce, P. G. (2020). The Interface between Li6.5La3Zr1.5Ta0.5O12 and Liquid Electrolyte. Joule, 4(1), 101-108. https://doi.org/10.1016/j.joule.2019.10.001

An advantageous solid electrolyte/liquid electrolyte interface is crucial for the implementation of a protected lithium anode in liquid electrolyte cells. Li6.5La3Zr1.5Ta0.5O12 (LLZTO) garnet electrolytes are among the few solid electrolytes that are... Read More about The Interface between Li6.5La3Zr1.5Ta0.5O12 and Liquid Electrolyte.

Perylene‐Grafted Silicas: Mechanistic Study and Applications in Heterogeneous Photoredox Catalysis (2019)
Journal Article
Carrillo, A. I., Elhage, A., Marin, M. L., & Lanterna, A. E. (2019). Perylene‐Grafted Silicas: Mechanistic Study and Applications in Heterogeneous Photoredox Catalysis. Chemistry - A European Journal, 25(65), 14928-14934. https://doi.org/10.1002/chem.201903539

A mechanistic study is herein presented for the use of heterogeneous photocatalysts based on perylene moieties. First, the successful immobilization of perylene diimides (PDI) on silica matrices is demonstrated, including their full characterization... Read More about Perylene‐Grafted Silicas: Mechanistic Study and Applications in Heterogeneous Photoredox Catalysis.

Decorated titania fibers as photocatalysts for hydrogen generation and organic matter degradation (2019)
Journal Article
Mapukata, S., Hainer, A. S., Lanterna, A. E., Scaiano, J. C., & Nyokong, T. (2020). Decorated titania fibers as photocatalysts for hydrogen generation and organic matter degradation. Journal of Photochemistry and Photobiology A: Chemistry, 388, Article 112185. https://doi.org/10.1016/j.jphotochem.2019.112185

Heterogenous photocatalysts based on electrospun fibers composed of polyvinylpyrrolidone and titanium propoxide were prepared and heated at 500, 750 and 950 °C to obtain anatase and rutile fibers. The fibers were then decorated with Pd and Co nanopar... Read More about Decorated titania fibers as photocatalysts for hydrogen generation and organic matter degradation.

In vitro cytotoxicity assessment of monocationic and dicationic pyridinium-based ionic liquids on HeLa, MCF-7, BGM and EA.hy926 cell lines (2019)
Journal Article
Perez, S., Montalbán, M., Carissimi, G., Licence, P., & Villora, G. (2020). In vitro cytotoxicity assessment of monocationic and dicationic pyridinium-based ionic liquids on HeLa, MCF-7, BGM and EA.hy926 cell lines. Journal of Hazardous Materials, 385, Article 121513. https://doi.org/10.1016/j.jhazmat.2019.121513

Dicationic ionic liquids (ILs) generally possess higher thermal and electrochemical stability than the analogous monocationic ILs, which makes them more suitable for high-temperature applications as solvents for organic reactions, lubricants or stati... Read More about In vitro cytotoxicity assessment of monocationic and dicationic pyridinium-based ionic liquids on HeLa, MCF-7, BGM and EA.hy926 cell lines.

Interaction between particles with inhomogeneous surface charge distributions: Revisiting the Coulomb fission of dication molecular clusters (2019)
Journal Article
Filippov, A. V., Chen, X., Harris, C., Stace, A. J., & Besley, E. (2019). Interaction between particles with inhomogeneous surface charge distributions: Revisiting the Coulomb fission of dication molecular clusters. Journal of Chemical Physics, 151(15), https://doi.org/10.1063/1.5119347

An analytical solution describing the electrostatic interaction between particles with inhomogeneous surface charge distributions has been developed. For particles, each carrying a single charge, the solution equates to the presence of a point charge... Read More about Interaction between particles with inhomogeneous surface charge distributions: Revisiting the Coulomb fission of dication molecular clusters.

Identification of separate isoenergetic routes for vibrational energy flow in p-fluorotoluene (2019)
Journal Article
Gardner, A. M., Whalley, L. E., Kemp, D. J., Tuttle, W. D., & Wright, T. G. (2019). Identification of separate isoenergetic routes for vibrational energy flow in p-fluorotoluene. Journal of Chemical Physics, 151(15), https://doi.org/10.1063/1.5126179

A deceptively simple feature in the S1 ← S0 spectrum of p-fluorotoluene (pFT), 1013 cm−1 above the origin, is studied using both zero-electron-kinetic-energy (ZEKE) and two-dimensional laser-induced fluorescence (2D-LIF) spectroscopy. It is found to... Read More about Identification of separate isoenergetic routes for vibrational energy flow in p-fluorotoluene.

Zinc 1s Valence-to-Core X-ray Emission Spectroscopy of Halozincate Complexes (2019)
Journal Article
Clarke, C. J., Hayama, S., Hawes, A., Hallett, J. P., Chamberlain, T. W., Lovelock, K. R., & Besley, N. A. (2019). Zinc 1s Valence-to-Core X-ray Emission Spectroscopy of Halozincate Complexes. Journal of Physical Chemistry A, 123(44), 9552-9559. https://doi.org/10.1021/acs.jpca.9b08037

The Zn 1s valence-to-core (VtC) X-ray emission spectra of seven ionic liquids have been measured experimentally and simulated on the basis of time-dependent density-functional theory (TDDFT) calculations. Six of the ionic liquids were made by mixing... Read More about Zinc 1s Valence-to-Core X-ray Emission Spectroscopy of Halozincate Complexes.

Reversible coordinative binding and separation of sulfur dioxide in a robust metal–organic framework with open copper sites (2019)
Journal Article
Smith, G. L., Eyley, J. E., Han, X., Zhang, X., Li, J., Jacques, N. M., …Schröder, M. (2019). Reversible coordinative binding and separation of sulfur dioxide in a robust metal–organic framework with open copper sites. Nature Materials, 18(12), 1358-1365. https://doi.org/10.1038/s41563-019-0495-0

Emissions of SO2 from flue gas and marine transport have detrimental impacts on the environment and human health, but SO2 is also an important industrial feedstock if it can be recovered, stored and transported efficiently. Here we report the excepti... Read More about Reversible coordinative binding and separation of sulfur dioxide in a robust metal–organic framework with open copper sites.

Ionic and Electronic Conduction in TiNb2O7 (2019)
Journal Article
Grey, C. P., Griffith, K. J., Seymour, I. D., Hope, M. A., Butala, M. M., Lamontagne, L. K., …Dutton, S. E. (2019). Ionic and Electronic Conduction in TiNb2O7. Journal of the American Chemical Society, 141(42), 16706–16725. https://doi.org/10.1021/jacs.9b06669

TiNb2O7 is a Wadsley–Roth phase with a crystallographic shear structure and is a promising candidate for high-rate lithium ion energy storage. The fundamental aspects of the lithium insertion mechanism and conduction in TiNb2O7, however, are not well... Read More about Ionic and Electronic Conduction in TiNb2O7.

The effect of coordination of alkanes, Xe and CO2 (?1-OCO) on changes in spin state and reactivity in organometallic chemistry: a combined experimental and theoretical study of the photochemistry of CpMn(CO)3 (2019)
Journal Article
Wu, X., Liu, Z., Murphy, T. S., Sun, X. Z., Hanson-Heine, M. W. D., Towrie, M., …George, M. W. (2019). The effect of coordination of alkanes, Xe and CO2 (η1-OCO) on changes in spin state and reactivity in organometallic chemistry: a combined experimental and theoretical study of the photochemistry of CpMn(CO)3. Faraday Discussions, 220, 86-104. https://doi.org/10.1039/c9fd00067d

A combined experimental and theoretical study is presented of several ligand addition reactions of the triplet fragment 3CpMn(CO)2 formed upon photolysis of CpMn(CO)3. Experimental data are provided for reactions in n-heptane and perfluoromethylcyclo... Read More about The effect of coordination of alkanes, Xe and CO2 (?1-OCO) on changes in spin state and reactivity in organometallic chemistry: a combined experimental and theoretical study of the photochemistry of CpMn(CO)3.