School of Chemistry journal papers published in 2009

1. K. Fahey and F. Aldabbagh. Highly Potent Bioreductive Benzimidazolequinone Anti-Tumour Agents. Irish Chemical News 2009, 25 (2) 24-27.

2. E. Moriarty and F. Aldabbagh. Synthesis of Aryl Ring-Fused Benzimidazolequinones using 6-exo-trig Radical Cyclizations. Tetrahedron Letters 2009, 50, 5251-5253.

3. P. B. Zetterlund, F. Aldabbagh, M. Okubo. Controlled/Living Heterogeneous Radical Polymerization in Supercritical Carbon Dioxide. Journal of Polymer Science: Part A: Polymer Chemistry 2009, 47, 3711-3728.

4. Product Class 18: Polystyrenes, F. Aldabbagh and O. Gibbons, Science of Synthesis, Houben-Weyl Methods of Molecular Transformations, Volume 45b, Chapter 45.18, pp 723-744. Georg Thieme Verlag KG 2010. ISBN 978-3-13-146551-1.

5. Luke A. Burke and R. N. Butler, Computational Investigation of Rearrangements in Huisgen Cycloadducts of Azolium N-Dicyanomethanide 1,3-Dipoles with Alkynes: A Mechanistic Panoply, J. Org. Chem. 2009, 74 (15), pp 5199–5210.

6. S. A. Shabalovskaya, H. Tian, J. W. Anderegg, D. U. Schryvers, W. M. Carroll and J. W. M. Van Humbeeck. The Influence of Surface Oxides on the Distribution and Release of Nckel from Nitinol Wires. Biomaterials. 2009, 30(4), 468-477.

7. B. O’Brien and W. M. Carroll. The Evolution of Cardiovascular Stent Materials and Surfaces in Response to Clinical Drivers. Acta Biomaterialia (Review). 2009, 5, 945-958.

8. P. B. Crowley, P. M. Matias, A. R. Khan, M. Roessle, D. I. Svergun. Metal-mediated self-assembly of a beta-sandwich protein. Chem. Eur. J. 2009, 15, 12672-12680.

9. M. V. Johnson, S. S. Goldsborough, Z. Serinyel, P. O'Toole, E. Larkin, G. O'Malley, H. J. Curran. A Shock Tube Study of n- and iso-Propanol Ignition. Energy and Fuels. 2009, 23, 5886–5898.

10. J. Moc, G. Black, J. M. Simmie and H. J. Curran. The unimolecular decomposition and H -abstraction reactions by OH and HO 2 from n-butanol. Computational Methods in Science and Engineering, Advances in Computational Science vol. 2, ed. T.E. Simos & G. Maroulis, American Inst. of Physics, 2009, 161–164.

11. J. M. Simmie and H. J. Curran. Energy Barriers for the Addition of H, CH 3, and C 2H 5 to CH 2 = CHX [X = H, CH 3, OH] and for H -Atom Addition to RCH="O" [R = H, CH 3, C 2H ¬5, n-C 3H 7]: Implications for the Gas-Phase Chemistry of Enols. Journal of Physical Chemistry A. 2009, 113(27), 7834–7845.

12. J. Moc, J. M. Simmie, H. J. Curran. The elimination of water from a comformationally complex alcohol: A computational study of the gas phase dehydration of n-butanol. Journal of Molecular Structure. 2009, 928, 149–157.

13. J. M. Simmie and H. J. Curran. Formation Enthalpies and Bond Dissociation Energies of Alkylfurans. The Strongest C-X Bonds Known? Journal of Physical Chemistry A. 2009, 113(17): 5128–5137.

14. Y. J. Wang, C. Ji, A. T. Holley, F. N. Egolfopolous, T. T. Tsotsis, H. J. Curran. Propagation and Extinction of Premixed Dimethyl Ether/Air Flames. Proceedings of the Combustion Institute.  2009, 32(1), 1035–1042.

15. S. Pichon, G. Black, N. Chaumeix, M. Yahyaoui, H. J. Curran, J. M. Simmie, R. Donohue. The Combustion Chemistry of a Fuel Tracer: measured flame speeds and ignition delays and a detailed chemical kinetic model for the oxidation of acetone. Combustion and Flame. 2009, 156(2), 494–504.

16. C. K. Westbrook, W. J. Pitz, O. Herbinet, H. J. Curran, E. J. Silke. A Comprehensive Detailed Chemical Kinetic Mechanism for Combustion of n-Alkane Hydrocarbons from n-Octane to n-Hexadecane. Combustion and Flame. 2009, 156(1), 181–199.

17. W. K. Metcalfe, C. Togbe, P. Dagaut, H. J. Curran, J. M. Simmie. A Jet-Stirred Reactor and Kinetic Modeling Study of Ethyl Propanoate. Combustion and Flame. 2009, 156(1), 250–260.

18. K. A. K. Musa and L. A. Eriksson. Photochemical and photophysical properties, and photodegradation mechanism, of non-steroid anti-inflammatory drug Flurbiprofen. J. Photochem. Photobiol. A: Chemistry, 2009, 202, 48-56.

19. R. b. Zhang and L. A. Eriksson. Distinct OH Radical-Induced Damage of 3’UMP in RNA – A Theoretical Study. Chem. Eur. J., 2009, 15, 2394-2402.

20. V. Labet, A. Grand, C. Morell, J. Cadet and L. A. Eriksson. Mechanism of nitric oxide induced deamination of cytosine. Phys. Chem. Chem. Phys., 2009, 11, 2379-2386.

21. V. Labet, C. Morell, J. Cadet, L. A. Eriksson and A. Grand. Hydrolytic Deamination of 5-Methylcytosine in Protic Medium– a Theoretical Study, J. Phys. Chem. A. 2009, 113, 2524-2533.

22. S. Omar and L.A. Eriksson. Interaction and Photobinding between 8-Methoxypsoralen and Thymine. Chem. Phys. Letters. 2009, 471, 128-132.

23. K. A. K. Musa and L. A. Eriksson. Photodegradation Mechanism of the Common Non-Steroidal Anti-Inflammatory Drug Diclofenac and its Main Carbazole Photoproduct, Phys. Chem. Chem. Phys., 2009, 11, 4601-4610.

24. P. Schyman, L. A. Eriksson and A. Laaksonen. Hydrogen Abstraction from Deoxyribose by a Neighboring 3’ Uracil Peroxyl Radical, J. Phys. Chem. B, 2009, 113, 6574-6578.

25. E. Erdtman, D. J.V. A. dos Santos, L. Löfgren and L. A. Eriksson. Erratum to “ Properties of 5-aminolevulinic acid and its alkyl esters in a lipid bilayer model. Chem. Phys. Letters, 2009, 470, 369.

26. K. A. K. Musa and L. A. Eriksson. Photodecomposition mechanisms of non-steroiald anti-inflammatory drugs containing thiophene moieties; suprofen and tiaprofenic acid. J Phys Chem B, 2009, 113, 11306-11313.

27. S. Omar and L. A. Eriksson. Computational Study of Khellin Excited States and Photobinding to DNA. Photochem. Photobiol. Sci., 2009, 8, 1179-1186.

28. J. M. Matxain, D. Padro, M. Ristilä, Å. Strid and L. A. Eriksson. Theoretical Evidence of High OH Radical Quenching Efficiency by Vitamin B6, J Phys Chem B (Letter), 2009, 113, 9629-9632.  

29. A. Erxleben. Invited contribution to the special issue dedicated to Bernhard Lippert. “Cu coordination to the aldehyde and hemiacetal form of 4-bromo-2-[(2-diethylaminoethyl)ethylaminomethyl]-6-formylphenol: synthesis and structure of [Cu(HL)2(X)2] (X = NO3, ClO4) and [Cu(L’)]2”. Inorg. Chim. Acta, 2009, 362, 839-844.

30. B. Zurowska, A. Erxleben, L. Glinka, M. Leczycka, E. Zyner, J. Ochocki. Synthesis, spectroscopy and magnetism of novel metal complexes of 3-aminoflavone (3-af). X-ray crystal structure of 3-af and [Cu(3-af)2(NO3)2]. Inorg. Chim. Acta. 2009, 362, 739-744

31. H. H. Monfared, M. Nazari, P. Mayer, M.-A. Kamyabi, A. Erxleben, Z. Asgari. Synthesis, Crystal Structure and Electrochemical Studies of a Hydrazone Schiff Base Complex of Titanium(IV). Zeitschrift für Naturforschung B: A Journal of Chemical Sciences. 2009, 64, 409-414.

32. N. Geraghty & E. M. Hernon. The reaction of photochemically generated α-hydroxyalkyl radicals with alkynes: a synthetic route to γ-butenolides. Tetrahedron Letters. 2009, 50, 570-573.

33. S. T. Meally, K. Mason, E. K. Brechin, A. G. Ryder, L. F. Jones. A F-bridged Mn(II) Molecular Square. Chem. Commun., 2009, 7024-7026.

34. A. Vaze, N. Hussain, C. Tang, D. Leech, J. Rusling. Biocatalytic anode for glucose oxidation utilizing carbon nanotubes for direct electron transfer with glucose oxidase, Electrochemistry Communications, 2009, 11, 2004–2007.

35. P. A. Jenkins, S. Boland, P. Kavanagh, D. Leech. Evaluation of performance and stability of biocatalytic redox films constructed with different copper oxygenases and osmium-based redox polymers. Bioelectrochemistry. 2009, 76, 162–168.

36. S. Boland, K. Foster, D. Leech. A stability comparison of redox-active layers produced by chemical coupling of an osmium redox complex to pre-functionalized gold and carbon electrodes, Electrochimica Acta. 2009, 54, 1986–1991.

37. J. Hajdukiewicz, S. Boland, P. Kavanagh, A. Nowicka, Z. Stojek, D. Leech. Enzyme-amplified amperometric detection of DNA using redox mediating films on gold microelectrodes, Electroanalysis. 2009, 21, 342 – 350.

38. P. Kavanagh, S. Boland, P. Jenkins, D. Leech. Performance of a glucose/O2 enzymatic biofuel cell containing a mediated melanocarpus albomyces laccase cathode in a physiological buffer. Fuel Cells. 2009, 09, 79–84.

39. S. Boland, P. Jenkins, Paul Kavanagh and D. Leech. Biocatalytic fuel cells: A comparison of surface pre-treatments for anchoring biocatalytic redox films on electrode surfaces. Journal of Electroanalytical Chemistry, 2009, 626(1-2), 111-115.

40. J. S. S. Rountree and P. V. Murphy. Synthesis of a novel polyhydroxylated salicylic acid lactone framework. Organic Letters. 2009, 11, 871-874

41. W. Pilgrim and P. V. Murphy. alpha-Glycosphingolipids via Chelation Induced Anomerisation of O- and S-Glucuronic and Galacturonic Acid Derivatives. Organic Letters. 2009, 11, 939-942.

41. R. Leyden, T. Velasco-Torrijos, S. André, S. G. Gouin, H.-J. Gabius and P. V. Murphy. Synthesis of bivalent lactosides based on terephthalamide, N,N’ diglucosylterephthalamide and glycophane scaffolds and assessment of their inhibitory capacity on medically relevant lectins. Journal of Organic Chemistry. 2009, 74, 9010-9026.

42. S. André, T. Velasco-Torrijos, R. Leyden, S. Gouin, M. Tosin, P. V. Murphy and H.-J. Gabius. Phenylenediamine-based bivalent glycocyclophanes: synthesis and analysis of the influence of scaffold rigidity and ligand spacing on lectin binding in cell systems with different glycomic profiles. Organic and Biomolecular Chemistry, 2009, 7, 4715-4725.

43. R. Leyden and P. V. Murphy. Glycotriazolophane synthesis via click chemistry. Synlett., 2009, 1949-1950.

44. C. O’Reilly, C. O’Brien, P. V. Murphy. Synthesis of a constrained polyfunctional bicyclic iminocyclitol scaffold from L-sorbose via a tandem sequence including stereoselective intramolecular Huisgen cycloaddition. Tetrahedron Letters. 2009, 50, 4427-4429.

45. P. O'Leary and A. R. Maguire. Efficient construction of novel carbocyclic frameworks via intramolecular aromatic addition of diazoketones followed by Diels-Alder cycloaddition. ARKIVOC. 2009, (11): 130-151.

46. D. Frain, F. Kirby, P. McArdle and P. O'Leary. The Synthesis of AraBOX, a New 4,4’-bis(oxazoline), from Novel Pentitol-Derived Bis β-Aminoalcohol. Synlett., 2009, 1261 .
 
47. P. O’Leary, C. van Walree, N. C. Mehendale, J. Summerel, D. E. Morse, W. C. Kaska, G. van Koten and R. J.M. Klein Gebbink. Enzymatic immobilization of organometallic species: Biosilification of NCN- and PCP-pincer metal species using demosponge axial filaments. Dalton Trans., 2009, 4289-4291.

48. C. McDonagh and P. O'Leary. Electrostatically immobilised BOX and PYBOX metal catalysts: Application to ene reactions. Tetrahedron letters. 2009, 50, 979-982.

49. N. J. F. Blamey, J. F. Conliffe J. Parnell, A. G. Ryder and M. Feely. Application of fluorescence lifetime measurements on single petroleum-bearing fluid inclusions to demonstrate multicharge history in petroleum reservoirs. Geofluids, 2009, 9, 330-337.

50. D. M. Togashi, A. G. Ryder and G. Heiss, Quantifying Adsorbed Protein on Surfaces using Confocal Fluorescence Microscopy. Colloids and Surfaces B: Biointerfaces. 2009, 72(2), 219-229.

51. B. Szczupak, A. G. Ryder, D. M. Togashi, Y. A. Rotchev, A. Gorelov, and T. J. Glynn, Measuring the micro-polarity and hydrogen-bond donor/acceptor ability of thermoresponsive N-isopropylacrylamide/N-tert-butylacrylamide copolymer films using solvatochromic indicators. Applied Spectroscopy, 2009, 63(4), 442-449.

52. D. M. Togashi, B. Szczupak, A. G. Ryder, A. Calvet, and M. O'Loughlin. Investigating trypthopan quenching of fluorescein fluorescence under protolytic equilibrium. Journal of Physical Chemistry A. 2009, 113(12), 2757-2767.

53. S. Robin, D. M. Togashi, A. G. Ryder, and J. G. Wall. Trigger factor from the psychrophilic bacterium P. Frigidicola is a monomeric chaperone. Journal of Bacteriology, 2009, 191(4), 1162-1168.

54. W. J. Spillane, C. M. Coyle, B. G. Feeney and E. F. Thompson, Development of Structure-taste Relationships for the Thiazolyl-, benzothiazolyl- and thiadiazolylsulfamates, J. Agric. and Food Chem., 2009, 57, 5486-5493.

55. W. J. Spillane and E. F. Thompson. The Effect on Taste upon the Introduction of Heteroatoms in Sulfamates. Food Chemistry, 2009, 114, 217-225.

56. C. Watson, I. Janik, T. Zhuang, O. Charvátová, R. J. Woods and J. Sharp. Pulsed electron beam water radiolysis for sub-microsecond hydroxyl radical protein footprinting. Analytical Chemistry. 2009, 81, 2496-2505.

57. M. L. DeMarco and R. J. Woods. Atomic-resolution conformational analysis of the GM3 ganglioside in a lipid bilayer, and its implications for ganglioside-protein recognition at membrange surfaces. Glycobiology. 2009, 19, 344-355.

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