Browsing School of Chemistry (Scholarly Articles) by Author "|~|"
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Additive tuning redox potential in metallacarboranes by sequencial halogen substitution
González-Cardoso, Patricia; Stoica, Anca-Lulia; Farràs, Pau; Pepiol, Ariadna; Viñas, Clara; Teixidor, Francesc (Wiley, 2010-04-21)The first artificially made set of electron acceptors is presented that are derived from a unique platform Cs[3,3′-Co(C2B9H11)2], for which the redox potential of each differs from its predecessor by a fixed amount. The ... -
Adsorption and conformations of lysozyme and α-lactalbumin at a water-octane interface
Cheung, David L. (AIP Publishing, 2017-11)As proteins contain both hydrophobic and hydrophilic amino acids, they will readily adsorb onto interfaces between water and hydrophobic fluids such as oil. This adsorption normally causes changes in the protein structure, ... -
Aggregation of nanoparticles on one and two-component bilayer membranes
Cheung, David L. (AIP Publishing, 2014)Using dissipative particle dynamics simulations the aggregation of nanoparticles on single and two-component bilayers is investigated. For a uniform bilayer the aggregation of nanoparticlesdepends strongly on the location ... -
Allelopathic interactions between the brown algal genus lobophora (dictyotales, phaeophyceae) and scleractinian corals
Vieira, Christophe; Thomas, Olivier P.; Culioli, Gerald; Genta-Jouve, Gregory; Houlbreque, Fanny; Gaubert, Julie; De Clerck, Olivier; Payri, Claude E. (Nature Publishing Group, 2016-01-05)Allelopathy has been recently suggested as a mechanism by which macroalgae may outcompete corals in damaged reefs. Members of the brown algal genus Lobophora are commonly observed in close contact with scleractinian corals ... -
Alternating bimetallic Na/Mn covalent and ionic chains
Berg, Nelly; Jones, Leigh F. (RSC, 2010-07-30)The first coordination polymers constructed using the 2,2'-biphenol ligand are described along with their ionic supramolecular counterparts. -
Application of vibrational spectroscopy to study solid-state transformations of pharmaceuticals
Erxleben, Andrea (2016-09-01)Understanding the properties, stability and transformations of the solid-state forms of an active pharmaceutical ingredient (API) in the development pipeline is of crucial importance for process-development, formulation ... -
Assessing the predictions of a NOx kinetic mechanism on recent hydrogen and syngas experimental data
Zhang, Yingjia; Mathieu, Olivier; Petersen, Eric L.; Bourque, Gilles; Curran, Henry J. (Elsevier, 2017-05-02)A detailed chemical kinetic mechanism has been developed to describe the pyrolysis and oxidation of the hydrogen/NOx and syngas/NOx systems. The thermodynamic data of nitrogenous compounds have been updated based on the ... -
Autoignition of ethanol in a rapid compression machine
Mittal, Gaurav; Burke, Sinéad M.; Davies, Varun A.; Parajuli, Bikash; Metcalfe, Wayne K.; Curran, Henry J. (Elsevier, 2013-12-09)Ethanol is a renewable source of energy and significant attention has been directed to the development of a validated chemical kinetic mechanism for this fuel. The experimental data for the autoignition of ethanol in the ... -
Bi- to tetravalent glycoclusters presenting GlcNAc/GalNAc as inhibitors: from plant agglutinins to human macrophage galactose-type lectin (CD301) and galectins
Sabine André, Sabine; O'Sullivan, Shane; Koller, Christiane; Murphy, Paul V.; Gabius, Hans-Joachim (Royal Society of Chemistry, 2015-02-17)Emerging insights into the functional spectrum of tissue lectins leads to identification of new targets for the custom-made design of potent inhibitors, providing a challenge for synthetic chemistry. The affinity and ... -
Bi- to tetravalent glycoclusters: synthesis, structure-activity profiles as lectin inhibitors and impact of combining both valency and headgroup tailoring on selectivity.
Wang, Guan-Nan; Murphy, Paul V. (Royal Society of Chemistry, 2012-06-29)The emerging functional versatility of cellular glycans makes research on the design of synthetic inhibitors a timely topic. In detail, the combination of ligand (or headgroup or contact site) structure with spatial ... -
Bodipy-ruthenium(II) tris-bipyridyl dyads for homogeneous photochemical oxidations
Farràs, Pau; Benniston, Andrew C. (Elsevier, 2014-10-28)Two Bodipy-ruthenium(II) tris-bipyridyl dyads were synthesized for use as sensitizers in photochemical oxidation reactions of organic substrates. The synthetic strategy involved the use of a simple ‘click’ CuAAC reaction ... -
Chain transfer to solvent in the radical polymerization of structurally diverse acrylamide monomers using straight-chain and branched alcohols as solvents
Magee, Christopher; Sugihara, Yusuke; Zetterlund, Per B.; Aldabbagh, Fawaz (Royal Society of Chemistry, 2014-01-02)Chain transfer to solvent in conventional radical polymerizations of N-tert-butylacrylamide (TBAM) and N-(2-morpholin-4-ylethyl) acrylamide (MEA) in a range of alcohol solvents is investigated. Mayo analysis of polymerization ... -
Chemical, electrochemical and photochemical catalytic oxidation of water to dioxygen with mononuclear ru complexes
Roeser, Stephen; Farràs, Pau; Bozoglian, Fernando; Martínez, Marta; Benet-Buchholz, Jordi; Llobet, Antoni (Wiley, 2011-01-27)Four new RuII[BOND]Cl and RuII[BOND]H2O complexes containing the meridional 2,2’:6’,2”-terpyridine (trpy) ligand and the chelating 2-(5-phenyl-1H-pyrazol-3-yl)pyridine (H3p) ligand of general formula in- and out-[RuII(tr ... -
Coiled coil type neoglycoproteins presenting three lactose residues
Sweeney, Sinclair M.; Bullen, Gemma A.; Gillis, Richard B.; Adams, Gary G.; Rowe, Arthur J.; Harding, Stephen E.; Tucker, James H.R.; Peacock, Anna F.A.; Murphy, Paul V. (Elsevier, 2016-02-06)Scaffold design, synthesis and application are relevant for biomedical research. For example, multivalent interactions, such as those between cell surface glycoproteins and lectins can influence the potency and duration ... -
Combining glycocluster synthesis with protein engineering: an approach to probe into the significance of linker length in a tandem-repeat-type lectin (galectin-4)
Andre, Sabine; Wang, Guan-Nan; Gabius, Hans-Joachim; Murphy, Paul V. (Elsevier, 2014-05-07)Complementarity in lectin-glycan interactions in situ is assumed to involve spatial features in both the lectin and the glycan, giving a functional meaning to structural aspects of the lectin beyond its carbohydrate-binding ... -
Comparison of the fluorescence behavior of a biocrude oil and crude petroleum oils
Ryder, Alan G. (ACS Publications (American Chemical Society), 2006-02-15)The production and characterization of biocrude and petroleum like products from natural, renewable resources such as oil-bearing plant seeds is an interesting area of research at the moment. The present article discusses ... -
Comparison of the performance of several recent hydrogen combustion mechanisms
Olm, Carsten; Zsély, István; Pálvölgyi, Róbert; Varga, Tamás; Nagy, Tibor; Curran, Henry J.; Turányi, Tamás (Elsevier ScienceDirect, 2014-03-12)A large set of experimental data was accumulated for hydrogen combustion: ignition measurements in shock tubes (770 data points in 53 datasets) and rapid compression machines (229/20), concentration time profiles in flow ... -
Comparison of the performance of several recent syngas combustion mechanisms
Olm, Carsten; Zsély, István Gy; Varga, Tamás; Curran, Henry J. (Elsevier ScienceDirect, 2015-01-22)A large set of experimental data was accumulated for syngas combustion: ignition studies in shock tubes (732 data points in 62 datasets) and in rapid compression machines (492/47), flame velocity determinations (2116/217) ... -
A comprehensive combustion chemistry study of 2,5-dimethylhexane
Sarathy, S. Mani; Javed, Tamour; Karsenty, Florent; Heufer, Alexander; Wang, Weijing; Park, Sungwoo; Elwardany, Ahmed; Farooq, Aamir; Westbrook, Charles K.; Pitz, William J.; Oehlschlaeger, Matthew A.; Dayma, Guillaume; Curran, Henry J.; Dagaut, Philippe (Elsevier ScienceDirect, 2014-01-16)Iso-paraffinic molecular structures larger than seven carbon atoms in chain length are commonly found in conventional petroleum, Fischer-Tropsch (FT), and other alternative hydrocarbon fuels, but little research has been ... -
A comprehensive experimental and modeling study of isobutene oxidation
Zhou, Chong-Wen; Li, Yang; O'Connor, Eoin; Somers, Kieran P.; Thion, Sébastien; Keesee, Charles; Mathieu, Olivier; Petersen, Eric L.; DeVerter, Trent A.; Oehlschlaeger, Matthew A.; Kukkadapu, Goutham; Sung, Chih-Jen; Alrefae, Majed; Khaled, Fathi; Farooq, Aamir; Dirrenberger, Patricia; Glaude, Pierre-Alexandre Glaude; Battin-Leclerc, Frédérique; Santner, Jeffrey; Ju, Yiguang; Held, Timothy; Haas, Francis M.; Dryer, Frederick L.; Curran, Henry J. (Elsevier, 2016-03-17)Isobutene is an important intermediate in the pyrolysis and oxidation of higher-order branched alkanes, and it is also a component of commercial gasolines. To better understand its combustion characteristics, a series of ...