64th Irish Universities Chemistry Research Colloquium June 14th, 15th 2012 Department of Chemical and Environmental Sciences UNIVERSITY of LIMERICK Ollscoil Luimnigh Under the auspices of the Institute of Chemistry of Ireland NOTES: Schedule: Thursday 14th June 14.00-18.00 Registration: Main Building, Near DG-016 on Level-O Poster Installation 16.15 Opening Address: DG-016 (Jean Monnet Lecture Theatre) Dr Mary Shire, VP Research, University of Limerick Institute of Chemistry of Ireland Representative 16.30 Plenary Lecture: DG-016 “P-Stereogenic Phosphorus: From Bench to Business" Prof Declan Gilheany, University College Dublin and Celtic Catalysts 17.15 Poster Session: C1-058, C1-059, C1-061 Tea/Coffee: C1 Corridor 19.30 20.45 22.00 Barbeque + Euro 2012 – Spain v Ireland Disco Industrial Sponsors: The organisers gratefully acknowledge the support of: Allergan Pharmaceuticals Ireland; Eli-Lilly; Fisher Scientific Ireland; Irish Cement; Merck Sharp & Dohme; Roche Ireland; Sarstedt; Sigma-Aldrich; Reagecon Diagnostics; Rilta Envionmental Ltd; Rusal Auginish; SciChem; UCB Manufacturing Ireland Ltd; VWR. NOTES: Scientific Schedule: Friday 15th June Session A1 – Organic. DG-016. Chair: Prof Declan Gilheany (UCD) 9.15 Jakub T. Flasz QUB “A new stereoselective synthesis of (-)-Echinosporin” 9.40 Kimberly Geoghegan “Synthesis and reactivity of cyclic sulphonamides: synthesis UCD of amarylidaceae alkaloids Mesembrane and Mesembrine” Session B1 – Inorganic. D1-050. Chair: Dr John McGinley (NUIM) 9.15 Aurora Walshe TCD “Novel reactivities of the uranyl moiety” 9.40 Anna L. Blackburn QUB “Luminescent dinuclear ruthenium(ll) and rhenium(l) complexes and their application in anion recognition” 10.05 Rachel Christie DIT “Synthesis and characterisation of new psychoactive substances of abuse” 10.05 Mooneerah Heerah Booluck “Uptake and activation of carbon dioxide by UCD dinuclear macrocyclic and macrobicyclic complexes” 10.30 – 11.05 POSTER SESSION, Tea/Coffee, C1 corridor 10.30 – 11.05 Session A2 – Organic. DG-016. Chair: Dr Eoin Scanlon (TCD) POSTER SESSION, Tea/Coffee, C1 corridor Session B2 – Bio-Inorganic. D1-050. Chair: Dr Christine O’Connor (DIT) 11.15 Roisin O’Flaherty “Synthesis of O-serinyl glycolipid derivatives of the NUIM immunostimulant -GalCer” 11.15 Ziga Ude RCSI “Exploiting new molecular targets beyond DNA for the development of novel cancer metallochemotherapeutics” 11.40 Kevin Sheerin UCD 11.40 Laura O’Toole NUIM “Self-assembly of calix[4]arene amine derivatives” “Approaches toward the synthesis of heparin analogues” 12.05 Lorna Moynihan “Synthesis of iminosugar C-glycosides via a tandem allylic NUIGalway azide rearrangement – Huisgen cycloadition” 12.30 LUNCH, Canteen off the C1 corridor Session A3 – Organic. DG-016. Chair: Dr Noreen Hanly (UL) 12.05 Lorraine Blackmore “Novel phosphorescent chromophores for peptide labelling” RCSI LUNCH, Canteen off the C1 corridor 12.30 Session B3 – Bio-Organic. D1-050. Chair: Dr Frances Heaney (NUIM) 14.00 Carla A Daly UCC “Designing a molecular switch based on hydrogen bonding in organosulfur compounds” 14.00 Jennifer Geraghty DIT “Identification of Azaspiracid biotransformation pathways” 14.25 Sarah Maher ITT-Dublin “Synthesis of double-armed calixarene compounds for metal-ion sensing” 14.25 Brendan Kelly TCD “Design, synthesis and evaluation of 2-adrenoreceptor antagonists: towards new and improved antidepressants” 14.50 Mary T Lohan NUIGalway “Photochemical generation of carbon-carbon bonds using supported photomediators” 14.50 Sandra Gannon DIT “Artemisinin derived hybrids as potential antitumour agents” 15.15 POSTER SESSION, Tea/Coffee, C1 corridor 15.15 16.00 DG-016 PLENARY LECTURE: “From Quantum Mechanics to PurAtiteTM”, Dr Donncha Haverty, HKPB Scientific (http://hkpb.ie/) 16.40 DG-016 AWARDS PRESENTATION and CLOSE of COLLOQUIUM POSTER SESSION, Tea/Coffee, C1 corridor NOTES: Scientific Schedule: Friday 15th June Session C1 – Physical. C1-063. 9.15 John J. Carey TCD 9.40 David Madden UL Session D1 – Nano. C1-060. “Understanding the chemical behaviour of the Rh(lll) metal surface for deNOx applications.” 9.15 Olan Lotty UCC “Seedless growth of germanium nanowires: coalescence and Ostwold ripening” “Hybrid porous solids for carbon dioxide capture” 9.40 Emma Mullane “Size controlled growth of germanium nanorods and nanowires UL solution pyrolysis directly on a substrate” 10.05 Jamal Touitou QUB “An in-situ spatially resolved method to probe gas phase reactions through a fixed bed catalyst” 10.05 Allen T Bellew TCD “Manipulating connectivity in random nanowire networks a route to intelligent materials” 10.30 – 11.05 POSTER SESSION, Tea/Coffee, C1 corridor 10.30 – 11.05 POSTER SESSION, Tea/Coffee, C1 corridor Session C2 – Physical. C1-063. Chair: Dr Eithne Dempsey (ITT-Dublin) Session D2 – Nano. C1-060. 11.15 Peter Connolly NUIGalway “Mediated enzyme electrochemistry: signal output and stability enhancement using tailored mediators” 11.15 Niall B. McGuinness, “Novel template-free electrochemical growth and postNUIM functionalization of N-substituted polypyrrole nanowires” 11.40 Lin Zhou UCC Chair: Dr Elisa Fadda (NUIG) “Separation of biological substrates by capillary electrophoresis with a boron doped diamond electrode for amperometric detection” 12.05 Amandine Calvet “Quantitative and qualitative analysis of cell culture media NUIGalway using spectroscopy coupled with chemometrics” Chair: Prof Mike Lyons (TCD) Chair: Dr Kevin M. Ryan (UL) 11.40 Sozaraj Rasappa UCC “Fabrication of 3D nano-dimensioned electric double layer capacitor structures using block copolymer templates” 12.05 Patrick Floris DCU “Development of metal-nanoparticle agglomerated polymer monoliths for capillary LC applications” 12.30 LUNCH, Canteen off the C1 corridor 12.30 LUNCH, Canteen off the C1 corridor Session C3 – Physical. C1-063. Chair: Dr Leigh F. Jones (NUIG) Session D3 – Nano. C1-060. 14.00 Zenefer Yeasmin ITT-Dublin “Controlling the geometry and binding studies of new rotameric molecular clips” 14.00 Sarah Clarke “Synthesis and characterisation of charged iron oxide nanoparticles DCU and their composites for potential targeted drug delivery” 14.25 Anthony Maher UL “Solution mediated polymorphic transformation Fll(6.403) to Flll(6.525) Piracetam” 14.25 Aoife O’Connor “(P(EO-co-glycidyl peptides) as nanomedicine candidates or RCSI polymeric carriers for targeted delivery of biopharmaceuticals” 14.50 Pavle Močilac DCU “Structural systematic studies of n x m grids” 14.50 David Garry “Assessment of nanoparticle cyctotoxicity using fluorescent UCD microscopy and high-content-analysis (HCA)” Chair: Prof Declan McCormack (DIT) 15.15 POSTER SESSION, Tea/Coffee, C1 corridor 16.00 DG-016 PLENARY LECTURE: “From Quantum Mechanics to PurAtiteTM”, Dr Donncha Haverty, HKPB Scientific (http://hkpb.ie/) 16.40 DG-016 AWARDS PRESENTATION and CLOSE of COLLOQUIUM Fr 15.15 POSTER SESSION, Tea/Coffee, C1 corridor POSTERS 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 Michael J. Reen, UCC Christina McSweeney, UCC Richard E O’Connor, UCC John Moran, ITT-Dublin Colm Duffy, RCSI Diana S. Illera, RCSI Claudia Del Fiandra, RCSI Colm Delaney, TCD Kamalraj Rajendran, UCD Rebecca Ulc, UCD P. A. Byrne, UCD Milosz Grabski, QUB Nadine Mc Cleary, NUIG C. Kyne, NUIG Laura Perdisatt, DIT Muhammad Zubair, TCD Pol MacFhionnghaile, NUIG Edel Houton, NUIG Stephen Roche, DCU Trish Owens ITT-Dublin Simon Gallagher, DCU Hannah Smith, NUIG Deirdre Murphy, TCD David Ward, ITT-Dublin Gangotri Dey, UCC Ian Godwin, TCD Gama Gnahore, NUIM O. Gaffney, DCU Alen Horvat, UL Caoimhe Ni Neill, DIT Keeley Baker, NUIM H. Diao, N. Maher, NUIM Deirdre Cogan, DCU Yen-Cheng Ho, QUB (Org): Development of novel chiral tethers for controlling intermolecular aryl-aryl-coupling and application in the synthesis of Gomisin M1. (Org): New methods for the asymmetric -alkylation of ketones. (Org): Investigation into the synthesis and impurity profiling of known and novel routes to the -methylphenethylamine known as BDF. (Org): Molecular clips with heterocyclic pendants: towards a model for copper redox control. (Org): Enantioselective Kemp elimination of carboxyisoxazoles. (Org): N-Heterocyclic carbene catalysed homoelolate addition to 3-methyl-4-nitro-5-styrylisoxazoles. (Org): Development of enantioselective organocatalytic inter [4+2] inter [3+3] tandem cycloaddition of nitroalkenes. (Org): Thermally stable and multifunctional organic molecules. (Org): A general method to make P-stereogenic phosphorus compounds. (Org): Toward the development of glycoconjugate vaccines: synthesis of capsular polysaccharide structures of Crytococcus neoformans. (Org): Settled at last: the final word on the Wittig reaction mechanism. (Org): Formal total synthesis of (+)-Inthomycin C through O-directed hydrostannation. (Org): Design, synthesis and catalytic application of 4,4-bis(oxazoline) ligands. (Org-bio): Specific ion effectson protein interactions in the E. coli cytosol. (Inorg): Systematic study into substituent effects on the performance of a series of therapeutic Ru(III) complexes. (Inorg): Synthesis and characterisation of novel pyrazine-derived dithiolene complexes as models for the pyranopterin ligand in the molybdenum cofactor. (Inorg): Analysis of amorphous and crystalline sulfamerazine. (Inorg): Ferromagnetic exchange in twisted, oxime-bridged [Mn(lll)2] and [Mn(lll)2Zn(ll)2] dimers. (Inorg-bio): Intercalation of ruthenium (Ru) complexes into double-stranded DNA. (Inorg-bio): Siloxane polymers containing Ag(l) and Cu(ll) ions: synthesis and anti-fungal activity. (Phys): Thermophysical properties of pure and water-saturated ionic liquids. (Phys): Computational design of glycomimetics to inhibit pathogen-host interactions. (Phys): Investigation of the spontaneous grafting of polycyclic aryldiazonium salts at cabon surfaces. (Phys): Nanostructured polypyrrole films for polyoxometallate immobilisation. (Phys): Mechanism of ALD reaction with Cu. (Phys): Development of efficient, cost effective anode materials for large scale hydrogen production via alkaline water (photo) electrolysis. (Analyt): Modified carbon-paste composites for electrochemical detection of dopamine. (Analyt): The effect of modifier concentration and the addition of additives to modifiers in supercritical fluid chromatography. (Analyt): Tar analysis from fluidized bed gasification of the energy crop Miscanthus gigantus. (Analyt/sensor): Development of a portable analytical method for heavy metal speciation. (Analyt/Sensor): The development of a choline biosensor for real time monitoring of brain extracellular choline. (Analyt/Sensor): Click modified calix[4]arene fluorescent sensor for Cu 2+. (Analyt/Sensor): Next generation autonomous chemical sensors for environmental monitoring. (Analyt/Sensor): Development of a portable forensic raman instrument. POSTERS 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 Wayne Fogaty, Barbara Schaller, Monika Zacharska, Aine O’Driscoll, Michele Conroy, Shalini Singh, Cian Cummins, Eoin Fox, John O’Connell, Andrzej Pitek, Filippo Bertoli, Hazel McArdle, NUIM UL UL UL UCC UL UCC DCU UCC UCD UCD DCU (Env Chem): Novel ionic liquids and their potential use in the capture of anthropogenic carbon dioxide. (Catalysis): Direct catalytic conversion of bio-methane to methanol and higher alcohols. (Catalysis): The catalytic conversion of levulinic acid derived from biomass to fuels and chemicals. (Catalysis): The hydrogenation of furfural to furfuryl alcohol. (Mat-Chem): Structural characterisation of novel nitride semiconductor devices (Nano): Synthesis and Characterisation of homogeneously alloyed Cd(Se xSy) nanocrystals for solar cell applications. (Nano): Self-assembly of nano-cyclinders in poly(styrene)-b-poly(4-vinylpyridine) block copolymer thin films. (Nano): Controlled assembly of iron-oxide nanoparticles: mechanism and scale up. (Nano): Organic functionalization of semiconductor nanowires. (Nano-bio): Integrated methodology for characterisation of nanoparticle bio-interactions in biological milieu. (Nano-bio): Magnetic nanoparticles as a tool to harvest cellular organelles and study of the nanoparticle protein corona in situ. (Nano-bio): Ultra-sensitive DNA detection based on nanoparticle functionalization and electrocatalysis of nanoparticle release.