Browse by Divisions pre August 2011

Abdelsalam, Mamdouh, Bartlett, Phillip N., Baumberg, Jeremy J., Cintra, Suzanne, Kelf, Tim and Russell, Andrea (2005) Electrochemical SERS at a structured gold surface. Electrochemistry Communications, 7, (7), 740-744. (doi:10.1016/j.elecom.2005.04.028).

Abdelsalam, Mamdouh E., Bartlett, Philip N., Kelf, Timothy and Baumberg, Jeremy (2005) Wetting of regularly structured gold surfaces. Langmuir, 21, (5), 1753-1757. (doi:10.1021/la047468q).

Adams, Harry, Batten, Stuart R., Davies, Graham M., Duriska, Martin B., Jeffery, John C., Jensen, Paul, Lu, Jinzhen, Motson, Graham R., Coles, Simon J., Hursthouse, Michael B. and Ward, Michael D. (2005) New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry. Dalton Transactions, (11), 1910-1923. (doi: 10.1039/b502892b).

Akutsu-Sato, A., Kobayashi, A., Mori, T., Akutsu, H., Yamada, J., Nakatsuji, S., Tumer, S.S., Day, P., Tocher, D.A., Light, M.E. and Hursthouse, M.B. (2005) Structures and physical properties of new β′-BEDT-TTF tris-oxalatometallate (III) salts containing chlorobenzene and halomethane guest molecules. Synthetic Metals, 152, (1-3), 373-376. (doi:10.1016/j.synthmet.2005.07.089).

Allen, David W., Coles, Simon J. and Hursthouse, Michael B. (2005) Tavs reactions of o-halobenzaldimines with ethyl diphenylphosphinite. Synthesis and crystal structure of a bis(phosphine oxide). Heteroatom Chemistry, 16, (3), 242-245. (doi: 10.1002/hc.20117).

Alvarez, C.S., Garcia, F., Humphrey, S.M., Hopkins, A.D., Kowenicki, R.A., McPartin, M., Layfield, R.A., Raja, R., Rogers, M.C., Woods, A.D. and Wright, D.S. (2005) Highly selective epoxidation of styrene using a transition metal aluminium(III) complex containing the [MeAl(2-py)(3)](-) anion (2-py=2-pyridyl). Chemical Communications, (2), 198-200. (doi:10.1039/b413488e).

Aragoni, M. Carla, Arca, Massimiliano, Devillanova, Francesco A., Hursthouse, Michael B., Huth, Susanne L., Isaia, Francesco, Lippolis, Vito, Mancini, Annalisa and Ogilvie, Helen (2005) Self-assembly of supramolecular architectures based on polybromide anions: crystal structure of [(H(4)tppz(4+))(Br-)(2)(Br-4(2-)] [tppz = tetra(2-pyridyl)pyrazine]. Inorganic Chemistry Communications, 8, (1), 79-82. ( doi:10.1016/j.inoche.2004.11.014).

Aragoni, M. Carla, Arca, Massimiliano, Devillanova, Francesco A., Hursthouse, Michael B., Huth, Susanne L., Isaia, Francesco, Lippolis, Vito, Mancini, Annalisa, Ogilvie, Helen R. and Verani, Gaetano (2005) Reactions of pyridyl donors with halogens and interhalogens: an X-ray diffraction and FT-Raman investigation. Journal of Organometallic Chemistry, 690, (8), 1923-1934. (doi:10.1016/j.jorganchem.2004.11.001).

Athar, Fareeda, Husain, Kakul, Abid, Mohammad, Agarwal, Subhash M., Coles, Simon J., Hursthouse, Michael B., Maurya, Mannar R. and Azam, Amir (2005) Synthesis and anti-amoebic activity of gold(I), ruthenium(II), and copper(II) complexes of metronidazole. Chemistry & Biodiversity, 2, (10), 1320-1330. (doi: 10.1002/cbdv.200590104).

Banu, Shahanara, Birtwell, Sam, Galitonov, Gerasim, Holmes, David, Zheludev, Nikolay and Morgan, Hywel, University of Southampton (2005) Microfabricated Barcodes for Particle Identification. In, Proceedings of 16th MME MicroMechanics Europe Workshop. 16th MME MicroMechanics Europe Workshop , MME, 252-255.

Barr, J.D., Bell, A.J., Bird, M., Mundy, J.L., Murrell, J., Timperley, C.M., Watts, P. and Ferrante, F. (2005) Fragmentations and reactions of the organophosphate insecticide Diazinon and its oxygen analog Diazoxon studied by electrospray ionization ion trap mass spectrometry. Journal of the American Society for Mass Spectrometry, 16, (4), 515-523. (doi:10.1016/j.jasms.2004.12.013).

Barr, J.D., Bell, A.J., Ferrante, F., La Manna, G., Mundy, J.L., Timperley, C.M., Waters, M.J. and Watts, P. (2005) Fragmentations and reactions of some isotopically labelled dimethyl methyl phosphono and trimethyl phosphoro thiolates and thionates studied by electrospray ionisation ion trap mass spectrometry. International Journal of Mass Spectrometry, 244, (1), 29-40. ( doi:10.1016/j.ijms.2005.04.004).

Bartlett, P.N., Ghoneim, E., El-Hefnawy, G. and El-Hallag, I. (2005) Voltammetry and determination of metronidazole at a carbon fiber microdisk electrode. Talanta, 66, (4), 869-874. (doi:10.1016/j.talanta.2004.12.048).

Bates, Martin A. and Luckhurst, Geoffrey R. (2005) Biaxial nematic phases and V-shaped molecules: a Monte Carlo simulation study. Physical Review E, 72, (5), 051702-[15pp]. (doi:10.1103/PhysRevE.72.051702).

Bates, Martin A. and Luckhurst, Geoffrey R. (2005) Biaxial nematics: computer simulation studies of a generic rod-disc dimer model. Physical Chemistry Chemical Physics, 7, (14), 2821-2829. (doi: 10.1039/b505876g).

Bauermann, L.P. and Bartlett, P.N. (2005) EQCM measurements of the ion and solvent flux in thin poly(aniline)–poly(styrenesulfonate) films during redox switching. Electrochimica Acta, 50, (7-8), 1537-1546. (doi:10.1016/j.electacta.2004.10.011).

Baumberg, Jeremy J., Kelf, Timothy A., Sugawara, Yoshihiro, Cintra, Suzanne, Abdelsalam, Mamdouh E., Bartlett, Phillip N. and Russell, Andrea E. (2005) Angle-resolved surface-enhanced Raman scattering on metallic nanostructured plasmonic crystals. Nano Letters, 5, (11), 2262-2267. (doi:10.1021/nl051618f).

Becerra, Rosa, Bowes, Sarah-Jane, Ogden, J. Steven, Cannady, J. Pat, Adamovic, Ivana, Gordon, Mark S., Almond, Matthew J. and Walsh, Robin (2005) Time-resolved gas-phase kinetic and quantum chemical studies of the reaction of silylene with oxygen. Physical Chemistry Chemical Physics, 7, (15), 2900-2908. (doi: 10.1039/b504760a).

Becerra, Rosa, Bowes, Sarah-Jane, Ogden, J. Steven, Cannady, J. Pat, Almond, Matthew J. and Walsh, Robin (2005) Time-resolved gas-phase kinetic and quantum chemical studies of the reaction of silylene with nitric oxide. Journal of Physical Chemistry A, 109, (6), 1071-1080. (doi: 10.1021/jp045600p).

Bedford, Robin B., Betham, Michael, Blake, Michael E., Frost, Robert M., Horton, Peter N., Hursthouse, Michael B. and López-Nicolás, Rosa-María (2005) N-Heterocyclic carbene adducts of orthopalladated triarylphosphite complexes. Dalton Transactions, (16), 2774-2779. (doi: 10.1039/b506286a).

Bedford, Robin B., Betham, Michael, Coles, Simon J., Frost, Robert M. and Hursthouse, Michael B. (2005) An evaluation of phosphine and carbene adducts of phosphite- and phosphinite-based palladacycles in the coupling of alkyl bromides with aryl boronic acids. Tetrahedron, 61, (41), 9663-9669. (doi:10.1016/j.tet.2005.07.097).

Bedford, Robin B., Coles, Simon J., Hursthouse, Michael B. and Scordia, Véronique J.M. (2005) Polystyrene-supported dicyclohexylphenylphosphine adducts of amine- and phosphite-based palladacycles in the Suzuki coupling of aryl chlorides. Dalton Transactions, (5), 991-995. (doi: 10.1039/b415286g).

Bell, Norman A., Bradley, Christopher S., Broughton, Richard A., Coles, Simon J., Hibbs, David E., Hursthouse, Michael B., Ray, Asim K., Simmonds, Derek J. and Thorpe, Stephen C. (2005) Comparison of the structure property relationships in LB films of zwitterionic TCNQ adducts. Journal of Materials Chemistry, 15, (14), 1437-1445. (doi: 10.1039/b414325f).

Bemporad, D., Luttmann, C. and Essex, J.W. (2005) Behaviour of small solutes and large drugs in a lipid bilayer from computer simulations. Biochimica et Biophysica Acta (BBA) - Biomembranes, 1718, (1-2), 1-21. (doi:10.1016/j.bbamem.2005.07.009).

Ben-Ali, Samia, Cook, David A., Bartlett, Philip N. and Kuhn, Alexander (2005) Bioelectrocatalysis with modified highly ordered macroporous electrodes. Journal of Electroanalytical Chemistry, 579, (2), 181-187. (doi:10.1016/j.jelechem.2004.11.018).

Benkovic, Stephen J., Baker, Stephen J., Alley, M.R.K., Woo, Youn-Hi, Zhang, Yong-Kang, Akama, Tsutomu, Mao, Weimin, Baboval, Justin, Rajagopalan, P.T. Ravi, Wall, Mark, Kahng, Lyn Sue, Tavassoli, Ali and Shapiro, Lucy (2005) Identification of borinic esters as inhibitors of bacterial cell growth and bacterial methyltransferases, CcrM and MenH. Journal of Medicinal Chemistry, 48, (23), 7468-7476. (doi:10.1021/jm050676a).

Berko, Aaron, Horton, Peter N., Hursthouse, Michael B., Packer, Robert J. and Went, Michael J. (2005) Synthesis of an alkene functionalised thiamacrocycle, 2,11-divinyl-1,4,7,10,13,16-hexathiacyclooctadeca-2,11-diene. Inorganic Chemistry Communications, 8, (5), 488-490. (doi:10.1016/j.inoche.2005.03.003).

Berrocal, M.V., Gil, M.V., Román, E., Serrano, J.A., Hursthouse, M.B. and Light, M.E. (2005) Tandem Michael addition and intramolecular aldol cyclization of 1,2-dideoxy-1-nitroheptitols derived from sugars. Tetrahedron Letters, 46, (21), 3673-3676. (doi:10.1016/j.tetlet.2005.03.162).

Beşli, Serap, Coles, Simon J., Davies, David B., Eaton, Robert J., Hursthouse, Michael B., Kiliç, Adem and Shaw, Robert A. (2005) Crystallographic proof of double Walden inversion in nucleophilic substitution reactions of macrocyclic cyclotriphosphazene derivatives. European Journal of Inorganic Chemistry, (5), 959-966. (doi: 10.1002/ejic.200400745).

Birkin, Peter R., Offin, Douglas G., Joseph, Phillip F. and Leighton, Timothy G. (2005) Cavitation, shock waves and the invasive nature of sonoelectrochemistry. Journal of Physical Chemistry B, 109, (35), 16997-17005. (doi:10.1021/jp051619w).

Birkin, Peter R., Offin, Douglas G. and Leighton, Timothy G. (2005) Experimental and theoretical characterisation of sonochemical cells. Part 2: cell disruptors (ultrasonic horns) and cavity cluster collapse. Physical Chemistry Chemical Physics, 7, (3), 530-537. (doi: 10.1039/b416658b).

Birkin, Peter R., Offin, Douglas G. and Leighton, Timothy G. (2005) The study of surface processes under electrochemical control in the presence of inertial cavitation. Wear, 258, (1-4), 623. (doi:10.1016/j.wear.2004.05.025).

Bishop, Michael M., Coles, Simon J., Lee, Andrew H.W., Lindoy, Leonard F., Parkin, Andrew, Thorn-Seshold, Oliver T. and Turner, Peter (2005) A structural study of tautomerism and hydrogen-bonding in supramolecular assemblies. Supramolecular Chemistry, 17, (7), 567-578. (doi:10.1080/10610270500333927).

Booth, James, Brown, Tom, Vadhia, Sunil J., Lack, Oliver, Cummins, W. Jon, Trent, John O. and Lane, Andrew N. (2005) Determining the origin of the stabilization of DNA by 5-aminopropynylation of pyrimidines. Biochemistry, 44, (12), 4710-4719. (doi: 10.1021/bi047561d).

Bott, Robyn K.J., Hammond, Max, Horton, Peter N., Lancaster, Simon J., Bochmann, Manfred and Scott, Peter (2005) Group 4 salicyloxazolines are potent polymerization catalysts. Dalton Transactions, (22), 3611-3613. (doi: 10.1039/b509807f).

Bouamaied, Imenne and Stulz, Eugen (2005) Porphyrin substituted Dinucleotides: Synthesis and Spectroscopy. Chimia, 59, (3), 101-104.

Bould, Jonathan, Hursthouse, Michael B., Coles, Simon J., Thornton-Pett, Mark and Kennedy, John D. (2005) Metallaborane reaction chemistry. Part 10. Phenylacetylene incorporation via [4,4-(PMe2Ph)2-arachno-4-PtCB8H12] in a ‘converse’ metalladicarbaborane synthesis of [7,7-(PMe2Ph)2-isonido-7,6,8-PtC2B6H7-6-Ph]. Inorganic Chemistry Communications, 8, (2), 143-146. (doi:10.1016/j.inoche.2004.08.024).

Bould, Jonathan, Jelínek, Tomáš, Barrett, Simon A., Coles, Simon J., Hursthouse, Michael B., Thornton-Pett, Mark, Štibr, Bohumil and Kennedy, John D. (2005) Macropolyhedral boron-containing cluster chemistry. The reaction of B16H20 and B14H18 with [PtMe2(PMe2Ph)2] to give [(PMe2Ph)2PtB16H17Me] and [(PMe2Ph)2PtB14H16]. Dalton Transactions, (8), 1499-1503. (doi: 10.1039/b419241a).

Bourel-Bonnet, Line, Rao, Karumanchi V., Hamann, Mark T. and Ganesan, A. (2005) Solid-phase total synthesis of kahalalide A and related analogues. Journal of Medicinal Chemistry, 48, (5), 1330-1335. (doi: 10.1021/jm049841x).

Bricklebank, Neil, Coles, Simon J., Forder, Susan D., Hursthouse, Michael B., Poulton, Andrew and Skabara, Peter J. (2005) Diiodine complex of diferrocenyl(phenyl)phosphine sulfide: the structural and electrochemical behaviour of Fc2(Ph)PS · I2. Journal of Organometallic Chemistry, 690, (2), 328-332. (doi:10.1016/j.jorganchem.2004.09.038).

Brooks, Simon J., Birkin, Peter R. and Gale, Philip A. (2005) Electrochemical measurement of switchable hydrogen bonding in an anthraquinone-based anion receptor. Electrochemistry Communications, 7, (12), 1351-1356. (doi:10.1016/j.elecom.2005.10.022).

Brooks, Simon J., Evans, Louise S., Gale, Philip A., Hursthouse, Michael B. and Light, Mark E. (2005) 'Twisted' isophthalamide analogues. Chemical Communications, 2005, (6), 734-736. (doi:10.1039/b413654c).

Brooks, Simon J. and Gale, Philip A. (2005) Cyclic and acyclic amidopyrrole containing anion receptors. In, Gloe, Karsten (ed.) Macrocyclic Chemistry: Current Trends and Future Perspectives. Dordrecht, The Netherlands, Springer, 153-172.

Brooks, Simon J., Gale, Philip A. and Light, Mark E. (2005) Carboxylate complexation by 1,1'-(1,2-phenylene)bis(3-phenylurea) in solution and the solid state. Chemical Communications, (37), 4696-4698. (doi: 10.1039/b508144k).

Brooks, Simon J., Gale, Philip A. and Light, Mark E. (2005) ortho-Phenylenediamine bis-urea–carboxylate: a new reliable supramolecular synthon. CrystEngComm, 7, 586-591. (doi: 10.1039/b511932d).

Brouwer, Darren H., Darton, Richard J., Morris, Russell E. and Levitt, Malcolm H. (2005) A solid-state NMR method for solution of zeolite crystal structures. Journal of the American Chemical Society, 127, (29), 10365-10370. (doi:10.1021/ja052306h).

Brouwer, Darren H., Kristiansen, Per Eugen, Fyfe, Colin A. and Levitt, Malcolm H. (2005) Symmetry-based 29Si dipolar recoupling magic angle spinning NMR spectroscopy: a new method for investigating three-dimensional structures of zeolite frameworks. Journal of the American Chemical Society, 127, (2), 542-543. (doi: 10.1021/ja043228l).

Brown, M.D., Levason, W. and Webster, M. (2005) Bis(nitrato-κ2O,O')(1,4,7,10,13-pentaoxacyclopentadecane)calcium(II). Acta Crystallographica Section E, Structural Reports Online, 61, (6), m1015-m1017. (doi:10.1107/S1600536805012973).

Brown, Michael D., Levason, William, Manning, Joanna M. and Reid, Gillian (2005) The transition metal carbonyl complexes of 1,3-bis(di-R-stibino)propanes (R = Me or Ph). Journal of Organometallic Chemistry, 690, (6), 1540-1548. (doi:10.1016/j.jorganchem.2004.12.020).

Brown, Michael D., Levason, William, Reid, Gillian and Watts, Rebecca (2005) Synthesis spectroscopic and structural properties of transition metal complexes of the o-xylyl diphosphine o-C6H4(CH2PPh2)2. Polyhedron, 24, (1), 75-87. ( doi:10.1016/j.poly.2004.10.008).

Brown, Nicholas M., Rachwal, Phillip A., Brown, Tom and Fox, Keith R. (2005) Exceptionally slow kinetics of the intramolecular quadruplex formed by the Oxytricha telomeric repeat. Organic & Biomolecular Chemistry, 3, (22), 4153-4157. (doi: 10.1039/b511706b).

Brown, Richard C.D. (2005) Developments in furan syntheses. Angewandte Chemie International Edition, 44, (6), 850-852. (doi: 10.1002/anie.200461668).

Bui, Tam T.T., Coles, Simon J., Davies, David B., Drake, Alex F., Eaton, Robert J., Hursthouse, Michael B., Kiliç, Adem, Shaw, Robert A. and Yeşilot, Serkan (2005) Chiral separation and CD characterisation of enantiomeric cyclotriphosphazene derivatives. Chirality, 17, (8), 438-443. (doi: 10.1002/chir.20187).

Bunn, Natalie R., Aldridge, Simon, Kays (née Coombs), Deborah L., Coombs, Natalie D., Day, Joanna K., Ooi, Li-ling, Coles, Simon J. and Hursthouse, Michael B. (2005) Toward cationic gallane- and indanediyl complexes: synthetic approaches to three-coordinate halogallyl and -indyl precursors. Organometallics, 24, (24), 5879-5890. (doi: 10.1021/om050630f).

Campbell, Tom, Newton, Mark A., Boyd, Vicky, Lee, Darren F. and Evans, John (2005) Effects of precursor and support variation in the genesis of uranium oxide catalysts for CO oxidation and selective reduction of NO: synthesis and characterization. Journal of Physical Chemistry B, 109, (7), 2885-2893. (doi: 10.1021/jp0404394).

Carravetta, Marina and Levitt, Malcolm H. (2005) Theory of long-lived nuclear spin states in solution nuclear magnetic resonance. I. Singlet states in low magnetic field. The Journal of Chemical Physics, 122, (21) (doi:10.1063/1.1893983).

Celebre, G., De Luca, G., Emsley, J.W., Longeri, M., Merlet, D., Pileio, G. and Suryaprakash, N. (2005) Obtaining the structure and bond rotational potential of a substituted ethane by NMR spectroscopy of solutions in nematic liquid-crystalline solvents. The Journal of Chemical Physics, 123, (19), 194907-1. (doi:10.1063/1.2121628).

Celebre, Giorgio, Concistre, Maria, De Luca, Giuseppina, Longeri, Marcello, Pileio, Giuseppi and Emsley, James William (2005) The structure of acrolein in a liquid crystal phase. Chemistry - A European Journal, 11, (12), 3599-3608. (doi: 10.1002/chem.200401059).

Chau, Foo-tim, Mok, Daniel K.W., Lee, Edmond P.F. and Dyke, John M. (2005) The singlet-triplet separation in CF2: state-of-the-art ab initio calculations and Franck-Condon simulations including anharmonicity. ChemPhysChem, 6, (10), 2037-2045. (doi:10.1002/cphc.200500114).

Cheng, H., Hwang, I., Chong, Y.H., Tavassoli, A., Webb, M.E., Zhang, Y., Wilson, I.A., Benkovic, S.J. and Boger, D.L. (2005) Synthesis and biological evaluation of N-{4-[5-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-2-(2,2,2-trifluoro acetyl)pentyl)benzoyl}-L-glutamic acid as a potential inhibitor of GAR Tfase and the de novo purine biosynthetic pathway. Bioorganic & Medicinal Chemistry, 13, (10), 3593-3599. (doi:10.1016/j.bmc.2004.11.049).

Cheng, Heng, Chong, Youhoon, Hwang, Inkyu, Tavassoli, Ali, Zhang, Yan, Wilson, Ian A., Benkovic, Stephen J. and Boger, Dale L. (2005) Design, synthesis, and biological evaluation of 10-methanesulfonyl-DDACTHF, 10-methanesulfonyl-5-DACTHF, and 10-methylthio-DDACTHF as potent inhibitors of GAR Tfase and the de novo purine biosynthetic pathway. Bioorganic & Medicinal Chemistry, 13, (10), 3577-3585. (doi:10.1016/j.bmc.2004.12.004).

Cheng, Heng, Hwang, Inkyu, Chong, Youhoon, Tavassoli, Ali, Webb, Michael E., Zhang, Yan, Wilson, Ian A., Benkovic, Stephen J. and Boger, Dale L. (2005) Synthesis and biological evaluation of N-[4-[5-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-2-(2,2,2-trifluoroac etyl)pentyl]benzoyl]-L-glutamic acid as a potential inhibitor of GAR Tfase and the de novo purine biosynthetic pathway. Bioorganic & Medicinal Chemistry, 13, (10), 3593-3599. (doi:10.1016/j.bmc.2004.11.049).

Chong, Youhoon, Hwang, Inkyu, Tavassoli, Ali, Zhang, Yan, Wilson, Ian A., Benkovic, Stephen J. and Boger, Dale L. (2005) Synthesis and biological evaluation of alpha- and gamma-carboxamide derivatives of 10-CF3CO-DDACTHF. Bioorganic & Medicinal Chemistry, 13, (10), 3587-3592. (doi:10.1016/j.bmc.2004.11.050).

Christensen, S. W. and Hursthouse, M. B. (2005) Analysis of atom-atom interactions via the Voronoi tessellation. At 21st European Crystallography Conference, Durban, RSA, 24 - 29 Aug 2003. Southampton, UK, University of Southampton1pp. (Submitted).

Coe, B.J., Hall, J.J., Harris, J.A., Brunschwig, B.S., Coles, S.J. and Hursthouse, M.B. (2005) trans-4-[(4-Dimethylaminophenyl)ethenyl]-N-methylquinolinium p-toluenesulfonate monohydrate. Acta Crystallographica Section E (Structure Reports Online), 61, (2), o464-o467. (doi:10.1107/S1600536805002138).

Coe, Benjamin J., Harris, James A., Jones, Lathe A., Brunschwig, Bruce S., Song, Kai, Clays, Koen, Garín, Javier, Orduna, Jesús, Coles, Simon J. and Hursthouse, Michael B. (2005) Syntheses and properties of two-dimensional charged nonlinear optical chromophores incorporating redox-switchable cis-tetraammineruthenium(II) centers. Journal of the American Chemical Society, 127, (13), 4845-4859. (doi: 10.1021/ja0424124).

Coles, S, Frey, Jeremy G., Peppe, Sam, Hursthouse, Mike, Light, Mark, Surridge, Mike, Meacham, Ken, Mills, Hugo, De Roure, Dave, Smith, Graham and Zaluska, Ed (2005) Grid-Enabling an Existing Instument-Based National Service. In, Stockinger, Heinz, Buyya, Rajkumar and Perrott, Ron (eds.) Proceedings e-Science and Grid Computing 2005. Workshop on Scientific Instrments and Sensors on the Grid, e-Science and Grid Computing USA, IEEE Computer Society, 570-577. (e-Science and Grid Computing, 1st 1).

Coles, S.J. (2005) Open archive publication of scientific data: how "crystalloinformatics" can enable chemoinformatics. Abstracts of Papers of the American Chemical Society, 229, U613-U613.

Coles, S.J., Frey, J.G., Hursthouse, M.B., Carr, L.A. and Gutteridge, C.J. (2005) Data publication @ source via the open archive initiative. Abstracts of Papers of the American Chemical Society, 229, U604-U604.

Coles, Simon, Frey, Jeremy, Hursthouse, Michael, Light, Mark, Carr, Leslie, DeRoure, David, Gutteridge, Christopher, Mills, Hugo, Meacham, Ken, Surridge, Mike, Lyon, Liz, Heery, Rachel, Duke, Monica and Day, Michael (2005) The 'end to end' crystallographic experiment in an e-Science environment: From conception to publication. In, UK e-Science All Hands Meeting 2005, Nottingham, UK, 19 - 23 Sep 2005. Southampton, UK,

Coles, Simon, Frey, Jeremy G., Hursthouse, Michael B., Light, Mark E., Meacham, Ken E., Marvin, Darren J. and Surridge, Mike (2005) ECSES - examining crystal structures using `e-science': a demonstrator employing web and grid services to enhance user participation in crystallographic experiments. Journal of Applied Crystallography, 38, (5), 819-826. (doi:10.1107/S0021889805025197).

Coles, Simon J, Frey, Jeremy G, Hursthouse, Michael B, DeRoure, David, Mills, Hugo R, Meacham, Ken E and Surridge, Mike (2005) The role of eScience in service crystallography: the National Crystallography Service Grid facility [Poster]. At British Crystallography Association Annual Meeting 2005, Loughborough, UK, 12 - 14 Apr 2005. Southampton, UK, Southampton University1pp.

Coles, Simon J. (2005) Furthering Chemoinformatics through ‘Crystalloinformatics’. In, 229th American Chemical Society Meeting, San Diego, USA, 13 - 17 Mar 2005. Southampton, UK, University of Southampton, School of Chemistry32pp.

Coles, Simon J. (2005) Open Archives as a Route for Capture, Dissemination and Access to Chemical Data and Information. At eChemInfo Interaction Meeting, Basel, Switzerland, 09 - 10 Nov 2005. Southampton, UK, 20pp.

Coles, Simon J., Costello, James F., Draffin, William N., Hursthouse, Michael B. and Paver, Simon P. (2005) Bi(III) halides as efficient catalysts for the O-acylative cleavage of tetrahydrofurans: an expeditious entry to tetralins. Tetrahedron, 61, (18), 4447-4452. (doi:10.1016/j.tet.2005.02.080).

Coles, Simon J., Day, Nick E., Murray-Rust, Peter, Rzepa, Henry S. and Zhang, Yong (2005) Enhancement of the chemical semantic web through the use of InChI identifiers. Organic and Biomolecular Chemistry, 3, (10), 1832-1834. (doi: 10.1039/b502828k).

Coles, Simon J. and Lyon, Elizabeth J. (2005) eBank UK : linking research data, learning and scholarly communications. In, JISC Joint Programmes Meeting 2005, Cambridge, UK, 07 Jul 2005. 33pp.

Concistre, Maria, De Luca, Giuseppina, Longeri, Marcello, Pileio, Giuseppe and Emsley, James W. (2005) The structure and conformations of 2-thiophenecarboxaldehyde obtained from partially averaged dipolar couplings. Chemphyschem, 6, (8), 1483-1491. (doi: 10.1002/cphc.200500190).

Corcoran, Sarah M., Levason, William, Patel, Rina and Reid, Gillian (2005) Synthesis and spectroscopic studies of antimony pentachloride complexes with neutral oxygen, sulfur and selenium ligands. Inorganica Chimica Acta, 358, (4), 1263-1268. (doi: 10.1016/j.ica.2004.10.039).

Crouch, David J., Skabara, Peter J., Heeney, Martin, McCulloch, Iain, Coles, Simon J. and Hursthouse, Michael B. (2005) Hexyl-substituted oligothiophenes with a central tetrafluorophenylene unit: crystal engineering of planar structures for p-type organic semiconductors. Chemical Communications, (11), 1465-1467. (doi: 10.1039/b417642a).

Crouch, David J., Skabara, Peter J., Lohr, Jan E., McDouall, Joseph J.W., Heeney, Martin, McCulloch, Ian, Sparrowe, David, Shkunov, Maxim, Coles, Simon J., Horton, Peter N. and Hursthouse, Michael B. (2005) Thiophene and selenophene copolymers incorporating fluorinated phenylene units in the main chain: Synthesis, characterization, and application in organic field-effect transistors. Chemistry of Materials, 17, (26), 6567-6578. (doi:10.1021/cm051563i).

Custelcean, Radu, Delmau, Lætitia H., Moyer, Bruce A., Sessler, Jonathan L., Cho, Won-Seob., Gross, Dustin, Bates, Gareth W., Brooks, Simon J., Light, Mark E. and Gale, Philip A. (2005) Calix[4]pyrrole: An old yet new ion-pair receptor. Angewandte Chemie-International Edition, 44, (17), 2537-2542. (doi:10.1002/anie.200462945).

Danopoulos, Andreas A., Wright, Joseph A. and Motherwell, William B. (2005) Molecular N2 complexes of iron stabilised by N-heterocyclic 'pincer' dicarbene ligands. Chemical Communications, 2005, (6), 784-786. (doi:10.1039/b415562a).

Darwish, Adam D., Birkett, Paul R., Langley, Graham and Taylor, Roger (2005) Fragmentation of the 60 fullerene cage during bromination. Chemical Physics Letters, 408, (4-6), 279-283. (doi:10.1016/j.cplett.2005.04.065).

Darwish, Adam D., Martsinovich, Natalia, Street, Joan M. and Taylor, Roger (2005) C2 isomers of C84F40 and C84F44 are cuboid and contain benzenoid and naphthalenoid aromatic patches. Chemistry - A European Journal, 11, (18), 5377-5380. (doi: 10.1002/chem.200500403).

Davis, L.J., Price, D.J., Horton, P.N., Hursthouse, M.B. and Matthews, C.J. (2005) Magnetism with a twist. Abstracts of Papers of the American Chemical Society, 229, U1085-U1085.

Denuault, Guy, Milhano, Clélia and Pletcher, Derek (2005) Mesoporous palladium - the surface electrochemistry of palladium in aqueous sodium hydroxide and the cathodic reduction of nitrite. Physical Chemistry Chemical Physics, 7, (20), 3545-3551. (doi: 10.1039/b508835f).

Diaz-Mochon, Juan José, Bialy, Laurent, Keinicke, Lise and Bradley, Mark (2005) Combinatorial libraries - from solution to 2D microarrays. Chemical Communications, (11), 1384-1386. (doi: 10.1039/b415847d).

Diaz-Moreno, Sofia, Bowron, Daniel T. and Evans, John (2005) Structural investigation of the bridged activated complex in the reaction between hexachloroiridate(IV) and pentacyanocobaltate(II). Dalton Transactions, (23), 3814-3817. (doi: 10.1039/b507738a).

Dixon, Mark J., Maurer, Richard I., Biggi, Cristina, Oyarzabal, Julen, Essex, Jonathan W. and Bradley, Mark (2005) Mechanism and structure-activity relationships of norspermidine-based peptidic inhibitors of trypanothione reductase. Bioorganic & Medicinal Chemistry, 13, (14), 4513-4526.

Dixon, Sally, Gordon, George J. and Whitby, Richard J. (2005) Zirconium mediated total synthesis of crinitol, 9-hydroxyfarnesoic acid, 9-hydroxyfarnesol, 9-hydroxysargaquinone and the selectively-protected aglycone of moritoside and euplexide A. Chemical Communications, (34), 4303-4305. (doi: 10.1039/b508524a).

Dunmur, D.A. (2005) The determination of molecular parameters from dielectric measurements on nematic liquid crystals. Liquid Crystals, 32, (11-12), 1379-1387. (doi:10.1080/02678290500124684).

Dyadyusha, L., Yin, H., Jaiswal, S., Brown, T., Baumberg, J.J., Booy, F.P. and Melvin, T. (2005) Quenching of CdSe quantum dot emission, a new approach for biosensing. Chemical Communications, 25, 3201-3203. (doi:10.1039/b500664c).

Dyke, J.M., Levita, G., Morris, A., Ogden, J.S., Dias, A.A., Algarra, M., Santos, J.P., Costa, M.L., Rodrigues, P., Andrade, M.M. and Barros, M.T. (2005) Contrasting behavior in azide pyrolyses: An investigation of the thermal decompositions of methyl azidoformate, ethyl azidoformate and 2-azido-N, N-dimethylacetamide by ultraviolet photoelectron spectroscopy and matrix isolation infrared spectroscopy. Chemistry: a European Journal, 11, (5), 1665-1676. (doi:10.1002/chem.200400767).

Dyke, John M., Ghosh, M.V., Kinnison, David, Levita, Giacomo, Morris, Alan and Shallcross, Dudley (2005) A kinetics and mechanistic study of the atmospherically relevant reaction between molecular chlorine and dimethyl sulfide (DMS). Physical Chemistry Chemical Physics (PCCP), 7, (5), 866-873. (doi:10.1039/b415566a).

Dyke, John M., Lee, Edmond P.F., Mok, Daniel K.W. and Chau, Foo-tim (2005) A combined ab initio/Franck-Condon study of the Ã-X single-vibronic-level emission spectrum of CCl2 and the photodetachment spectrum of CCl. ChemPhysChem, 6, (10), 2046-2059. (doi: 10.1002/cphc.200500194).

Emsley, J.W. (2005) NMR methods of studying orientational order in the liquid crystalline and isotropic phases of mesogenic samples. Liquid Crystals, 32, (11-12), 1515-1524. (doi:10.1080/02678290500284512).

Essex, J.W., Murdock, S.E., Gledhill, R.J., Tai, K.S., Ng, M.H., Johnston, S., Wu, B., Fangohr, H., Jeffreys, P., Cox, S. and Sansom, M. (2005) BioSimGrid: A distributed database for the storage and analysis of biomolecular computer simulations. Abstracts of Papers of the American Chemical Society, 229, U757.

Evans, J. (2005) In situ structure-function studies of alumina supported rhodium catalysts. Abstracts of Papers of the American Chemical Society, 229, U1026-U1027.

Evans, Stuart A.G., Brakha, Karina, Billon, Martial, Mailley, Pascal and Denuault, Guy (2005) Scanning electrochemical microscopy (SECM): localized glucose oxidase immobilization via the direct electrochemical microspotting of polypyrrole-biotin films. Electrochemistry Communications, 7, (2), 135-140. (doi:10.1016/j.elecom.2004.11.019).

Fayon, Franck, Massiot, Dominique, Levitt, Malcolm H., Titman, Jeremy J., Gregory, Duncan H., Duma, Luminita, Emsley, Lyndon and Brown, Steven P. (2005) Through-space contributions to two-dimensional double-quantum J correlation NMR spectra of magic-angle-spinning solids. Journal of Chemical Physics, 122, (19)

Finlayson, C.E., Amezcua, A., Sazio, P.J.A., Walker, P.S., Grossel, M.C., Curry, R.J., Smith, D.C. and Baumberg, J.J. (2005) Infrared emitting PbSe nanocrystals for telecommunications window applications. Journal of Modern Optics, 52, (7), 955-964. (doi:10.1080/09500340512331327589).

Fischer, D.S., Allan, G.M., Bubert, C., Vicker, N., Smith, A., Tutill, H.J., Purohit, A., Wood, L., Packham, G., Mahon, M.F., Reed, M.J. and Potter, B.V. (2005) E-ring modified steroids as novel potent inhibitors of 17β-hydroxysteroid dehydrogenase type 1. Journal of Medicinal Chemistry, 48, (18), 5749-5770. (doi:10.1021/jm050348a).

Fox, Keith R. and Brown, Tom (2005) Essay. An extra dimension in nucleic acid sequence recognition. Quarterly Reviews of Biophysics, 38, (4), 311-320. (doi:10.1017/S0033583506004197).

Freeman, C.E. and Howard, A.G. (2005) Measurement of the FMOC loading of protected amine-functionalised polymer beads. Talanta, 65, (2), 574-577. (doi: 10.1016/j.talanta.2004.07.021).

Frey, Jeremy G. (2005) The CombeChem Experience. At Knowledge Managment Workshop, e-Science All Hands Meeting 2005, Notttingham, UK, 19 Sep 2005. UK, EPSRC.

Frey, Jeremy G., Bird, Colin, Todd, Stephen, Attard, George, Goodson, Kelvin, Burt, Roger and Beynon, Megan (2005) Cross-disciplinarity: Benefits and Opportunities. In, IBM & School of Chemistry Talks Series 4, Southampton, UK, Southampton, UK, Southampton University.

Frey, Jeremy G., Mills, Hugo R., Hughes, Gareth V., Robinson, Jamie, de Roure, Dave C., schraefel, mc and Moreau, Luc (2005) Semantic Support for Smart Laboratories. At 229th American Chemical Society (ACS) National Meeting, San Diego, USA, 13 - 17 Mar 2005. USA, American Chemical Society.

Frey, Jeremy G., Robinson, Jamie, Stanford-Clark, Andrew, Reynolds, Andrew and Bendi, Bharat (2005) Sensor Networks and Grid Middleware for Laboratory Monitoring, USA, IEEE Computer Society, 8pp.

Fry, Fiona H., Holme, Andrea L., Giles, Niroshini M., Giles, Gregory I., Collins, Catriona, Holt, Kim, Pariagh, Sandra, Gelbrich, Thomas, Hursthouse, Michael B., Gutowski, Nick J. and Jacob, Claus (2005) Multifunctional redox catalysts as selective enhancers of oxidative stress. Organic and Biomolecular Chemistry, 3, (14), 2579-2587. (doi: 10.1039/b502197a).

Gabbutt, C. A., Heron, B. M., Thomas, D. A., Partington, S. M., Light, M. E. and Hursthouse, M. B. (2005) Photochromic naphthopyrans containing a latent carbene unit. Molecular Crystals and Liquid Crystals, 431, 357-362.

Galaffu, Nicola and Bradley, Mark (2005) Rapid access to reactive polymer-supported isocyanates. Tetrahedron Letters, 46, (5), 859-861. (doi:10.1016/j.tetlet.2004.11.122).

Gale, Philip A. (2005) Amidopyrroles: from anion receptors to membrane transport agents. Chemical Communications, (30), 3761-3772. (doi:10.1039/b504596g).

Gale, Philip A., Light, Mark E., McNally, Beth, Navakhun, Korakot, Sliwinski, Kate E. and Smith, Bradley D. (2005) Co-transport of H+/Cl- by a synthetic prodigiosin mimic. Chemical Communications, (30), 3773-3775. (doi:10.1039/b503906a).

Gale, Philip A., Light, Mark E. and Quesada, Roberto (2005) Solvent-induced supramolecular isomerism in Pt(S=C(NH2)(2))(4) (2+) croconate salts. Chemical Communications, (47), 5864-5866. (doi: 10.1039/b513059j).

Gelbrich, Thomas and Hursthouse, Michael B. (2005) A versatile procedure for the identification, description and quantification of structural similarity in molecular crystals. CrystEngComm, 7, (53), 324-336. (doi:10.1039/b502484f).

Ghesner, M., Silvestru, A., Silvestru, C., Drake, J. E., Hursthouse, M. B. and Light, M. E. (2005) Structural diversity of cadmium(II) complexes of tetraorganodichalcogenoimidodiphosphinato ligands: Monomeric Cd (SPMe2)(2)N (2), dinuclear Cd{(OPMe2)(SPPh2)N}(2) (2) and Cd-2{(OPPh2)(2)N}(4)(H2O) , and trinuclear K Cd-2{(OPPh2)(2)N}(5). Inorganica Chimica Acta, 358, (13), 3724-3734. (doi:10.1016/j.ica.2005.04.046).

Goncharov, A., Zhukov, A.A., Bartlett, P.N., Ghanem, M.A., Boardman, R., Fangohr, H. and de Groot, Peter A.J. (2005) Ordered sub-micron magnetic dot arrays using self-assembly template method. Journal of Magnetism and Magnetic Materials: Proceedings of the 5th International Symposium on Metallic Multilayers, 286, 1-4. (doi:10.1016/j.jmmm.2004.09.014).

Grossel, Martin C., Hursthouse, Michael B. and Orton, James B. (2005) Structural investigation of x,y-bis-(chlorocarbonyl) pyridines derivatives: "strength in diversity": a disparity of supramolecular packing motifs. CrystEngComm, 7, (45), 279-283. (doi:10.1039/b501034a).

Habens, F., Srinivasan, N., Oakley, F., Mann, D.A., Ganesan, A. and Packham, G. (2005) Novel sulfasalazine analogues with enhanced NF-kB inhibitory and apoptosis promoting activity. Apoptosis, 10, (3), 481-491. (doi:10.1007/s10495-005-1877-0).

Hant, Steven M., Attard, George S., Riddle, Rodney and Ryan, Kevin M. (2005) Periodic binary Si :Ti, Si : Al mixed macroporous oxides with ultrahigh heteroatom loading: a facile sol-gel approach. Chemistry of Materials, 17, (6), 1434-1440. (doi:10.1021/cm0482582).

Harrowven, David C., Pascoe, David D., Demurtas, Daniela and Bourne, Heather O. (2005) Total synthesis of (-)-colombiasin A and (-)-elisapterosin B. Angewandte Chemie International Edition, 44, (8), 1221-1222. (doi:10.1002/anie.200462268). (PMID:15696589).

Harrowven, David C., Woodcock, Timothy and Howes, Peter D. (2005) Total synthesis of cavicularin and riccardin C: addressing the synthesis of an arene that adopts a boat configuration. Angewandte Chemie International Edition, 44, (25), 3899-3901. (doi: 10.1002/anie.200500466). (PMID:15900530).

Hayden, Brian E., Rendall, Michael E. and South, Oliver (2005) The stability and electro-oxidation of carbon monoxide on model electrocatalysts: Pt(111)-Sn(2 x 2) and Pt(111)-Sn(root/3 x \root 3)R30 degrees. Journal of Molecular Catalysis A: chemical, 228, (1-2), 55-65. ( doi:10.1016/j.molcata.2004.09.079).

Hazza, Ahmed, Pletcher, Derek and Wills, Richard (2005) A novel flow battery—A lead acid battery based on an electrolyte with soluble lead(II). Part IV: the influence of additives. Journal of Power Sources, 149, 103-111. (doi:10.1016/j.jpowsour.2005.01.049).

Hector, Andrew L. (2005) Magnetic structure of K2NiF4-type iron(III) oxide halides. In, Li, Jing, Brese, Nathaniel E., Kanatzidis, Mercouri G. and Jansen, Martin (eds.) Solid-State Chemistry of Inorganic Materials. Materials Research Society Symposium (2004 Fall) Warrendale, PA, USA, MRS, FF3.18. (Materials Research Society Symposium Proceedings, V 848).

Hector, Andrew L., Jackson, Andrew W., McMillan, Paul F. and Shebanova, Olga, Li, Jing, Brese, Nathaniel E., Kanatzidis, Mercouri G. and Jansen, Martin (eds.) (2005) Amorphous "Ti3N4" and formation of nanocrystalline TiN. Materials Research Society Symposium Proceedings, 848

Hector, Andrew L., Knee, Christopher S., MacDonald, Alexander I., Price, Daniel J. and Weller, Mark T. (2005) An unusual magnetic structure in Sr2FeO3F and magnetic structures of K2NiF4-type iron(III) oxides and oxide halides, including the cobalt substituted series Sr2Fe1-xCoxO3Cl. Journal of Materials Chemistry, 15, (30), 3093-3103. (doi: 10.1039/b505617a).

Hector, Andrew L. and Levason, William (2005) Periodates of tetravalent titanium, zirconium, hafnium and thorium: Synthesis, characterisation and EXAFS study. European Journal of Inorganic Chemistry, (16), 3365-3370. (doi: 10.1002/ejic.200500169).

Henderson, S.J., Armstrong, J.A., Hector, A.L. and Weller, M.T. (2005) High-throughput methods to optically functional oxide and oxide-nitride materials. Journal of Materials Chemistry, 15, (15), 1528-1536. (doi: 10.1039/b415808c).

Henderson, Stuart J., Hector, Andrew L. and Weller, Mark T. (2005) High throughput synthesis of pigments by solution deposition. Materials Research Society, 848, FF3.17.

Herniman, Julie M., Langley, G. John, Bristow, Tony W.T and O'Connor, Gavin (2005) The validation of exact mass measurements for small molecules using FT-ICRMS for improved confidence in the selection of elemental formulas. Journal of the American Society for Mass Spectrometry, 16, (7), 1100-1108. (doi: 10.1016/j.jasms.2005.02.027).

Howard, Alan G. and Khdary, Nezar H. (2005) Nanoscavenger based dispersion preconcentration: sub-micron particulate extractants for analyte collection and enrichment. Analyst, 130, (10), 1432-1438. (doi:10.1039/b506242j).

Hu, Yulai and Brown, Richard C. D. (2005) A metal–oxo mediated approach to the synthesis of 21,22-diepi-membrarollin. Chemical Communications, 45, 5636-5637. (doi:10.1039/B512126d). (PMID:16292373).

Hu, Yulai and Brown, Richard C.D. (2005) A metal-oxo mediated approach to the synthesis of 21,22-diepi-membrarollin. Chemical Communications, (45), 5636-5637. (doi:10.1039/b512126d).

Hursthouse, Michael B., Levason, Wiliiam, Ratnani, Raju, Reid, Gillian, Stainer, Holly and Webster, Michael (2005) Synthesis, spectroscopic and structural properties of an unusual series of homoleptic phosphine oxide complexes of the alkaline earth dications. Polyhedron, 24, (1), 121-128. (doi: 10.1016/j.poly.2004.10.009).

Innocenti, F., Zuin, L., Costa, M.L., Dias, A.A., Morris, A., Paiva, A.C.S., Stranges, S., West, J.B. and Dyke, J.M., Masahiko, Takahashi and Shunji, Katsumata (eds.) (2005) Photoionization studies of the atmospherically important species N and OH at the Elettra synchrotron radiation source. Journal of Electron Spectroscopy and Related Phenomena. Modern Electron Spectroscopy of Atoms and Molecules. A collection of invited papers dedicated to Professor Katsumi Kimura in recognition of an esteemed research career spanning a 50-year period., 142, (3), 241-252. (doi:10.1016/j.elspec.2004.09.022).

Jackson, Andrew W. and Hector, Andrew L., Li, Jing, Brese, Nathaniel E., Kanatzidis, Mercouri G. and Jansen, Martin (eds.) (2005) A molecular route to dip-coated transition metal nitride thin films. Materials Research Society Symposium Proceedings, 848 (Solid stat, FF2.2.

Jose, Ann Jasmin, Wong, Lu Shin, Merrington, James and Bradley, Mark (2005) Automated image analysis of polymer beads and size distribution. Industrial & Engineering Chemistry Research, 44, (23), 8659-8662. (doi: 10.1021/ie0495123).

Jose, Ann Jasmine, Ogawa, Shuichiro and Bradley, Mark (2005) Tuning the pore size and surface area of monodisperse Poly(Methyl Acrylate) beads via parallel seeded polymerisation. Polymer, 46, (9), 2880-2888. (doi: 10.1016/j.polymer.2005.02.001).

Kamada, D., Okumoto, K., Sugimura, A., Luckhurst, G.R., Timimi, B A. and Zimmermann, H. (2005) Field-induced director alignment for 4-nonyl-4'-cyanobiphenyl near the smectic A - Nematic transition. Molecular Crystals and Liquid Crystals, 441, 131-141. (doi: 10.1080/154214091009626).

Kelly, Glenn, Darviche, Fatemeh, Robertson, Neil, Gelbrich, Thomas, Hursthouse, Michael B., Thomas, Dafydd A. and Butler, Ian R. (2005) Directly-linked intramolecular donor-acceptor compounds of ferrocene and tetracyanoanthraquinodimethane. Inorganic Chemistry Communications, 8, (10), 874-877. (doi: 10.1016/j.inoche.2005.06.011).

Khalid, S., Rodger, P.M. and Rodger, A. (2005) Theoretical aspects of the enantiomeric resolution of dimetallo helicates with different surface topologies on cellulose columns. Journal of Liquid Chromatography & Related Technologies, 28, (19), 2995-3003. (doi:10.1080/10826070500294966).

Kiziroglou, M.E., Zhukov, A.A., Abdelsalam, M., Li, X.L., De Groot, P.A.J., Bartlett, P.N. and De Groot, C.H. (2005) Electrodeposition of Ni-Si Schottky barriers. IEEE Transactions on Magnetics, 41, (10), 2639-2641. (doi:10.1109/TMAG.2005.854737).

Kriek, Marco, Neylon, Cameron, Roach, Peter L., Clark, Ian P. and Parker, Anthony W. (2005) A simple setup for the study of microvolume frozen samples using Raman spectroscopy. Review of Scientific Instruments, 76, (10) (doi: 10.1063/1.2054486).

Kulcsar, Monika, Silvestru, Anca, Silvestru, Cristian, Drake, John E., Macdonald, Charles L.B., Hursthouse, Michael B and Light, Mark E. (2005) Organoselenium(II) and selenium(IV) compounds containing 2-(Me2NCH2)C6H4 moieties: solution behavior and solid state structure. Journal of Organometallic Chemistry, 690, (13), 3217-3228. (doi: 10.1016/j.jorganchem.2005.02.052).

Lam, Hubert, Horton, Peter N., Hursthouse, Michael B., Aldous, D.avid J. and Hii, King Kuok (Mimi) (2005) Synthesis of P-chirogenic diarylphosphinoacetic acids and their proline derivatives for palladium-catalysed allylic alkylation reactions. Tetrahedron Letters, 46, (47), 8145-8148. (doi:10.1016/j.tetlet.2005.09.136).

Le Strat, Frédéric, Harrowven, David C. and Maddaluno, Jacques (2005) New approaches to bicylic vinyl heterocycles from propargylic acetals. Journal of Organic Chemistry, 70, (2), 489-498. (doi:10.1021/jo048794d).

Lecarpentier, Patrick, Crosignani, Stefano and Linclau, Bruno (2005) A practical synthesis of a high-loading solid-supported IBX amide for the oxidation of alcohols. Molecular Diversity, 9, (4), 341-351. (doi:10.1007/s11030-005-8105-2).

Lee, E.P.F., Dyke, J.M., Chow, W.K., Chau, F.T. and Mok, D.K.W. (2005) The heat of formation of 2-H Heptafluoropropane by ab initio calculations. Chemical Physics Letters, 402, (1-3), 32-36. (doi: 10.1016/j.cplett.2004.12.004).

Lee, Edmond P. F. and Wright, Timothy G. (2005) Ground electronic states of RbO2+, CsO2+ and FrO2: The ionization energies of RbO2 and CsO2. Journal of Physical Chemistry A, 109, (14), 3257-3261. (doi:10.1021/jp0504569).

Lee, Edmond P. F. and Wright, Timothy G. (2005) Heavier alkali-metal monosulfides (KS, RbS, CsS, and FrS) and their cations. Journal of Chemical Physics, 123, (14)

Lee, Edmond P.F. and Wright, Timothy G. (2005) Structure and thermodynamics of KO3 and KO3+. Chemical Physics Letters, 403, (1-3), 119-123. (doi: 10.1016/j.cplett.2004.12.116).

Leung, Leo M. H., Boydell, A. James, Gibson, Vicky, Light, Mark E. and Linclau, Bruno (2005) A stereoselective cyclization to carbafuranose derivatives starting from 1,4-bis-epoxides. Organic Letters, 7, (23), 5183-5186. (doi: 10.1021/ol052009h).

Leung, Leo M. H., Gibson, Vicky and Linclau, Bruno (2005) Improved synthesis of enantiopure pseudo-C-2-symmetric 1,4-bis-epoxide building blocks from arabitol. Tetrahedron-Asymmetry, 16, (14), 2449-2453. (doi:10.1016/j.tetasy.2005.05.043).

Lieb, Alexandra, Weller, Mark T., Henry, Paul F., Niewa, Rainer, Pöttgen, Rainer, Hoffmann, Rolf-Dieter, Höfer, Heidi E. and Schnick, Wolfgang (2005) Oxonitridosilicate chlorides-synthesis, single-crystal X-ray and neutron powder diffraction, chemical analysis and properties of Ln(4) Si4O3+N-x(7-x) Cl1-xOx with Ln = Ce, Pr, Nd and x approximate to 0.2. Journal of Solid State Chemistry, 178, (4), 976-988. (doi: 10.1016/j.jssc.2004.10.022).

Light, M.E., Gale, P.A., Navakhun, K. and Maynard-Smith, M. (2005) 4-Aminomethyl-phenylamino-bis-(3,4-dichloro-5-phenylcarbamoyl-1H-pyrrole -2-carboxamide) tetrabutylammonium salt. Acta Crystallographica Section E-Structure Reports Online, 61, O1302-O1303. (doi:10.1107/S160053680501069X).

Light, M.E., Ragusa, A. and Kilburn, J.D. (2005) 1R*,2R*)-di-tert-butyl N,N'-(cyclohexane-1,2-diyl)dicarbamate. Acta Crystallographica Section E-Structure Reports Online, 61, O1956-O1958. (doi: 10.1107/S1600536805016715).

Light, Mark E., Gale, Philip A. and Navakhun, Korakot (2005) 1,4-Phenylene-bis-(3,4-dichloro-5-phenylcarbamoyl- 1H-pyrrole-2-carboxamide) bis(tetrabutylammonium chloride) acetonitrile disolvate. Acta Crystallographica Section E - Structure Reports Online, E61, (5), o1300-o1301. (doi:10.1107/S1600536805010688).

Light, Melissa E. and Lesser, Alan J. (2005) Effect of test conditions on the essential work of fracture in polyethylene terephthalate film. Journal of Materials Science, 40, (11), 2861-2866. (doi:10.1007/s10853-005-2430-9).

Low, J.N., Scrimgeour, C. and Horton, P. (2005) Elaidic acid (trans-9-octadecenoic acid). Acta Crystallographica Section E-Structure Reports Online, 61, O3730-O3732. (doi: 10.1107/S1600536805033040).

Luckhurst, G.R., Sugimura, A. and Timimi, B.A. (2005) Electric-field driven director oscillations in nematic liquid crystals. Liquid Crystals, 32, (11-12), 1449-1463. (doi:10.1080/02678290500191352).

Luckhurst, G.R., Sugimura, A., Timimi, B.A. and Zimmermann, H. (2005) NMR determination of the physical properties of nematics. Liquid Crystals, 32, (11-12), 1389-1396. (doi:10.1080/02678290500124692).

Luckhurst, Geoffrey R. (2005) Liquid crystals: a chemical physicist's view. Liquid Crystals, 32, (11-12), 1335-1364. (doi:10.1080/02678290500423128).

Luckhurst, Geoffrey R. (2005) V-shaped molecules: new contenders for the biaxial nematic phase. Angewandte Chemie-International Edition, 44, (19), 2834-2836. (doi: 10.1002/anie.200500709).

Macdonald, A.M., Vaughan, A.S. and Wyeth, P. (2005) Application of confocal Raman spectroscopy to thin polymer layers on highly scattering substrates: a case study of synthetic adhesives on historic textiles. Journal of Raman Spectroscopy, 36, (3), 185-191. (doi:10.1002/jrs.1273).

Mansson, R.A., Frey, J.G., Essex, J.W. and Welsh, A.H. (2005) Prediction of properties from simulations: a re-examination with modern statistical methods. Journal of Chemical Information and Modeling, 45, (6), 1791-1803. (doi:10.1021/ci050056i).

Marin-Montesinos, Ildefonso, Brouwer, Darren H., Antonioli, Giancarlo, Lai, Wai Cheu, Brinkmann, Andreas and Levitt, Malcolm H. (2005) Heteronuclear decoupling interference during symmetry-based homonuclear recoupling in solid-state NMR. Journal of Magnetic Resonance, 177, (2), 307-317. (doi:10.1016/j.jmr.2005.07.020).

Markham, M.L., Baumberg, J.J., Smith, D.C., Li, X., Gabriel, T., Attard, G.S. and Nandhakumar, I. (2005) Birefringent cadmium-telluride-based metamaterial. Applied Physics Letters, 86, (1), 1-3. (doi:10.1063/1.1844035).

Marson, Charles M., Melling, Robert C., Coles, Simon J. and Hursthouse, Michael B. (2005) Synthesis of (3S,3S',4S,4S')-1,1'-ethylenedipyrrolidine-3,3',4,4'-tetraol and related diamino diols: donor-acceptor hydrogen-bonding motifs of the C-2 symmetric 3,4-dihydroxypyrrolidine unit. Tetrahedron: Asymmetry, 16, (16), 2799-2809. (doi: 10.1016/j.tetasy.2005.07.024).

McMillan, Paul F., Gryko, Jan, Bull, Craig, Arledge, Richard, Kenyon, Anthony J. and Cressey, Barbara A. (2005) Amorphous and nanocrystalline luminescent Si and Ge obtained via a solid-state chemical metathesis synthesis route. Journal of Solid State Chemistry, 178, (3), 937-949. (doi: 10.1016/j.jssc.2004.12.040).

McNamara, C A, Woods, D C, Lewis, S M, Bradley, M and Frey, J G (2005) Optimization of asymmetric dihydroxylation through optimal designed experiments. Southampton, UK, University of Southampton, School of Mathematics, 17pp. (School of Mathematics Technical Report, (386) ).

Merlet, Denis, Lesage, Anne and Emsley, James W. (2005) Magnetic field induced dipolar couplings in the pretransitional region of a nematic liquid crystal. Journal of Physical Chemistry A, 109, (23), 5070-5078. (doi:10.1021/jp050665t).

Mohd, Yusairie and Pletcher, Derek (2005) The influence of deposition conditions and dopant ions on the structure, activity, and stability of lead dioxide anode coatings. Journal of the Electrochemical Society, 152, (6), D97-D102. (doi: 10.1149/1.1897366).

Mok, Daniel K. W., Chau, Foo-tim, Lee, Edmond P. F. and Dyke, John M. (2005) Ab initio calculations and Franck-Condon simulation of the absorption spectra of GeCl2 including anharmonicity. Chemphyschem, 6, (4), 719-731. (doi: 10.1002/cphc.200400489).

Montfrooij, W., Aronson, M.C., Rainford, B.D., Mydosh, J.A., Hendrikx, R., Gortenmuller, T., Murani, A.P., Haen, P. and Swainson, I. (2005) The extent of quantum critical fluctuations into the heavy-fermion phase: a neutron scattering study of Ce(Ru1-xFex)(2)Ge-2. Journal of Applied Physics, 97, (10), 10A909-[3pp]. (doi:10.1063/1.1850338).

Moreira, Rui, Santana, Ana Bela, Iley, Jim, Neres, João, Douglas, Kenneth T., Horton, Peter N. and Hursthouse, Michael B. (2005) Design, synthesis, and enzymatic evaluation of N-1-acyloxyalkyl- and N-1-oxazolidin-2,4-dion-5-yl-substituted β-lactams as novel inhibitors of human leukocyte elastase. Journal of Medicinal Chemistry, 48, (15), 4861-4870. (doi: 10.1021/jm0501331).

Mountford, Andrew J., Lancaster, Simon J., Coles, Simon J., Horton, Peter N., Hughes, David L., Hursthouse, Michael B. and Light, Mark E. (2005) Intramolecular and intermolecular N-H∙∙∙F-C hydrogen-bonding interactions in amine adducts of tris(pentafluorophenyl)borane and tris(pentafluorophenyl)alane. Inorganic Chemistry, 44, (16), 5921-5933. (doi: 10.1021/ic050663n).

Murdock, S.E., Tai, K., Ng, M.H., Johnston, S., Wu, B., Fangohr, H., Essex, J.W., Jeffreys, P., Cox, S. and Sansom, M.S.P. (2005) BioSimGrid: A distributed environment for archiving and the analysis of biomolecular simulations. Abstracts of Papers of the American Chemical Society, 230, U1309-U1310.

Murray, K.K., Boyd, R.K., Eberlin, M.N., Langley, G.J., Li, L., Naito, Y. and Tabet, J.C. (2005) IUPAC standard definitions of terms relating to mass spectrometry. Abstracts of Papers of the American Chemical Society, 229, U123-U123.

Needs, Richard L., Dann, Sandra E., Weller, Mark T., Cherryman, Julian C. and Harris, Robin K. (2005) The structure and oxide/fluoride ordering of the ferroelectrics Bi2TiO4F2 and Bi2NbO5F. Journal of Materials Chemistry, 15, (24), 2399-2407. (doi: 10.1039/b502499d).

Newton, Mark A., Fiddy, Steven G., Guilera, Gemma, Jyoti, Bhrat and Evans, John (2005) Oxidation/reduction kinetics of supported Rh/Rh2O3 nanoparticles in plug flow conditions using dispersive EXAFS. Chemical Communications, (1), 118-120. (doi: 10.1039/b411493k).

Neylon, Cameron, Kralicek, Andrew V., Hill, Thomas M. and Dixon, Nicholas E. (2005) Replication termination in Escherichia coli: structure and antihelicase activity of the Tus-Ter complex. Microbiology and Molecular Biology Reviews, 69, (3), 501-526. (doi:10.1128/MMBR.69.3.501-526.2005).

Nyerges, Miklós, Bendell, David, Arany, Andrea, Hibbs, David E., Coles, Simon J., Hursthouse, Michael B., Groundwater, Paul W. and Meth-Cohn, Otto (2005) Silver acetate-catalysed asymmetric 1,3-dipolar cycloadditions of imines and chiral acrylamides. Tetrahedron, 61, (15), 3745-3753. (doi: 10.1016/j.tet.2005.02.009).

Olsen, Petter Angell, Randol, Markus, Luna, Luisa, Brown, Tom and Krauss, Stefan (2005) Genomic sequence correction by single-stranded DNA oligonucleotides: role of DNA synthesis and chemical modifications of the oligonucleotide ends. Journal of Gene Medicine, 7, (12), 1534-1544. (doi:10.1002/jgm.804).

Omnès, Laurent, Cîrcu, Viorel, Hutchins, Peter T., Coles, Simon J., Horton, Peter N., Hursthouse, Michael B. and Bruce, Duncan W. (2005) Possible transition from rod-like to disc-like behaviour in ortho-metallated imine complexes of palladium(II): crystal and molecular structure of three palladium complexes. Liquid Crystals, 32, (11-12), 1437-1447. (doi:10.1080/02678290500160753).

Owen, David R. and Whitby, Richard J. (2005) Zirconocene-Induced Cocyclisation/Elimination Reactions of 2-Heterosubstituted 1,6-Dienes and 1,6-Enynes. Synthesis, 2061-2074. (doi:10.1055/s-2005-870029).

Packham, G., Crabb, S.J., Carey, K., Yurek-George, A., Johnson, P.W. and Ganesan, A. (2005) Characterisation of Spiruchostatin A as an inhibitor of histone deacetylases (HDAC) in breast cancer. Clinical Cancer Research, 11, (24), 9138S-9138S.

Pais, Tiago M., Lamosa, Pedro, Dos Santos, Wagner, LeGall, Jean, Turner, David L. and Santos, Helena (2005) Structural determinants of protein stabilization by solutes - the importance of the hairpin loop in rubredoxins. Febs Journal, 272, (4), 999-1011. (doi: 10.1111/j.1742-4658.2004.04534.x).

Paulovič, Jozef, Gagliardi, Laura, Dyke, John M. and Hirao, Kimihiko (2005) A theoretical study of the gas-phase chemi-ionization reaction between uranium and oxygen atoms. Journal of Chemical Physics, 122, (14) (doi: 10.1063/1.1879832).

Pennington, Dale A., Clegg, William, Coles, Simon J., Harrington, Ross W., Hursthouse, Michael B., Hughes, David L., Light, Mark E., Schormann, Mark, Bochmann, Manfred and Lancaster, Simon J. (2005) The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes. Dalton Transactions, (3), 561-571. (doi: 10.1039/b414229b).

Pennington, Dale A., Horton, Peter N., Hursthouse, Michael B., Bochmann, Manfred and Lancaster, Simon J. (2005) Synthesis and catalytic activity of dinuclear imido titanium complexes: the molecular structure of [Ti(NPh)Cl( mu-Cl)(THF)(2)](2). Polyhedron, 24, (1), 151-156. (doi: 10.1016/j.poly.2004.10.006).

Pennington, David A., Coles, Simon J., Hursthouse, Michael B., Bochmann, Manfred and Lancaster, Simon J. (2005) Hybrid catalysts: the synthesis, structure and ethene polymerisation activity of (salicylaldiminato)(pyrrolylaldiminato) titanium complexes. Chemical Communications, (25), 3150-3152. (doi: 10.1039/b504113a).

Percival, Carl J., Shallcross, Dudley E., Canosa-Mas, Carlos E. and Dyke, John M., Cox, R.A. and Wallington, T.J. (eds.) (2005) Recent advances in the application of discharge-flow to the determination of gas-phase rate coefficients at pressures and temperatures of relevance to the Earth's atmosphere. Journal of Photochemistry and Photobiology A: Chemistry, 176, (1-3), 250-259. ( doi: 10.1016/j.jphotochem.2005.09.021).

Planas, José Giner, Viñas, Clara, Teixidor, Francesc, Comas-Vives, Aleix, Ujaque, Gregori, Lledós, Agusti, Light, Mark E. and Hursthouse, Michael B. (2005) Self-assembly of mercaptane-metallacarborane complexes by an unconventional cooperative effect: A C-H∙∙∙S-H∙∙∙H-B hydrogen/dihydrogen bond interaction. Journal of the American Chemical Society, 127, (45), 15976-15982. (doi: 10.1021/ja055210w).

Planas, José Giner, Viñas, Clara, Teixidor, Francesc, Light, Mark E., Hursthouse, Michael B. and Ogilvie, Helen R. (2005) B-substituted (arene)ruthenacarborane-sulfonium, -thioether and -mercaptan complexes: mild single and double dealkylation and structural implications in the antipodal distance. European Journal of Inorganic Chemistry, (20), 4193-4205. (doi: 10.1002/ejic.200500470).

Pletcher, D. (2005) Mediated Electrosynthesis. In, Lessard, J., Hapiot, P. and Nishiguchi, I. (eds.) Analytical Mechanistic and Synthetic Organic Electrochemistry - 6th International M. Baizer Award Symposium in Honor of Dennis H. Evans and Masao Tokuda. Baizer Symposium 2004 USA, The Electrochemical Society, 133-137. (Electrochemical Society Proceedings, PV2004 – 10).

Pletcher, D., Sidorin, D. and Hedges, W.M. (2005) A Comparison of the Corrosion of Carbon and 13 % Chromium Steels in Oilfield Brines Containing Acetate. In, Corrosion 2005, Houston, Texas, USA, 03 - 07 Apr 2005. , 1-9.

Pletcher, Derek and Wills, Richard (2005) A novel flow battery: a lead acid battery based on an electrolyte with soluble lead(II). Part III: the influence of conditions on battery performance. Journal of Power Sources, 149, 96-102. (doi:10.1016/j.jpowsour.2005.01.048).

Portal, C.F. (2005) Analytical constructs and monomer reactivity profiling. Abstracts of Papers of the American Chemical Society, 229, U354-U354.

Porter, Robin M., Danopoulos, Andreas A., Reid, Gillian and Titcomb, Lisa R. (2005) Zirconium and titanium amido complexes with 3,3-dimethyl-1,5-diaza-8-oxacyclodecane; facile C-H activation of the macrocyclic rim. Dalton Transactions, (3), 427-428. (doi: 10.1039/b418431a).

Praeger, M., de Paula, A.M., Baumberg, J.J., Froud, C.A., Rogers, E.T.F., Hanna, D.C., Brocklesby, W.S. and Frey, J.G. (2005) Nanoscale X-ray source by high harmonic generation in a capillary. In, Micro and Nanotechnology 2005 (MNT 05) International Conference, London, UK, 12 - 14 Dec 2005. London, UK, IOM Communications, 1-26.

Prien, Ralf, Pascal, Robin, Mowlem, Matt, Denuault, Guy and Sosna, Maciej (2005) Development and first results of a new fast response microelectrode DO-sensor. In, Proceedings of Oceans - Europe 2005. Oceans 2005 - Europe, Vols 1 and 2 , Institute of Electrical and Electronics Engineers, 744-747.

Qadir, Maryiam, Cobb, Jonathan, Sheldrake, Peter W., Whittall, Neil, White, Andrew J.P., Hii, King Kuok (Mimi), Horton, Peter N. and Hursthouse, Michael B. (2005) Conformation analyses, dynamic behavior, and amide bond distortions of medium-sized heterocycles. 2. Partially and fully reduced 1-benzazocines, benzazonines, and benzazecines. Journal of Organic Chemistry, 70, (5), 1552-1557. (doi: 10.1021/jo048117j).

Ragusa, Andrea, Rossi, Sara, Hayes, Joseph M., Stein, Matthias and Kilburn, Jeremy D. (2005) Novel enantioselective receptors for N-protected glutamate and aspartate. Chemistry: A European Journal, 11, (19), 5674-5688. (doi: 10.1002/chem.200500444).

Raja, R. and Thomas, J.M. (2005) Producing hazardous reagents in situ using single-site heterogeneous catalysts. Zeitschrift Fur Anorganische Und Allgemeine Chemie, 631, (13-14), 2942-2946. (doi:10.1002/zaac.200500179).

Raja, Robert, Golovko, Vladimir B., Thomas, John M., Berenguer-Murcia, Angel, Zhou, Wuzong, Xie, Songhai and Johnson, Brian F.G. (2005) Highly efficient catalysts for the hydrogenation of nitro-substituted aromatics. Chemical Communications, (15), 2026-2028. (doi:10.1039/b418273a).

Rajamaki, Suvi and Kilburn, Jeremy D. (2005) Lewis acid mediated endo-cyclisation of trimethylsilylmethylenecyclopropyl imines - a stereoselective route to indolizidines. Chemical Communications, 2005, (12), 1637-1639. (doi: 10.1039/b418476a).

Ranasinghe, Rohan T. and Brown, Tom (2005) Fluorescence based strategies for genetic analysis. Chemical Communications, (44), 5487-5502. (doi:10.1039/b509522k).

Ranasinghe, Rohan T., Rusling, David A., Powers, Vicki E.C., Fox, Keith R. and Brown, Tom (2005) Recognition of CG inversions in DNA triple helices by methylated 3H-pyrrolo [2,3-d] pyrimidin-2(7H)-one nucleoside analogues. Chemical Communications, (20), 2555-2557. (doi: 10.1039/b502325d).

Ratnasamy, P., Raja, R. and Srinivasi, D. (2005) Novel, benign, solid catalysts for the oxidation of hydrocarbons. Philosophical Transactions of the Royal Society a-Mathematical Physical and Engineering Sciences, 363, (1829), 1001-1012. (doi:10.1098/rsta.2004.1538).

Revell, Jefferson D., Dörner, Barbara, White, Peter D. and Ganesan, A. Merck Biosciences (2005) PS-COD and PS-9-BBN: polymer-supported reagents for solution-phase parallel synthesist. Organic Letters, 7, (5), 831-833. (doi:10.1021/ol047458g).

Robinson, Jamie M., Frey, Jeremy G., Stanford-Clark, Andy J., Reynolds, Andrew D. and Bedi, Bharat V. (2005) Chemistry by Mobile Phone (or how to justify more time at the bar). In, UK e-Science All Hands Meeting 2005, Nottingham, UK, 19 - 22 Sep 2005. UK,

Rojanathanes, Rojrit, Pipoosananakaton, Bongkot, Tuntulani, Thawatchai, Bhanthumnavin, Worawan, Orton, James B., Cole, Simon J., Hursthouse, Michael B., Grossel, Martin C. and Sukwattanasinitt, Mongkol (2005) Comparative study of azobenzene and stilbene bridged crown ether p-tert-butylcalix 4 arene. Tetrahedron, 61, (5), 1317-1324. (doi: 10.1016/j.tet.2004.11.020).

Rose, A., South, O., Harvey, I., Diaz-Moreno, S., Owen, J R. and Russell, A.E. (2005) In situ time resolved studies of hydride and deuteride formation in Pd/C electrodes via energy dispersive X-ray absorption spectroscopy. Physical Chemistry Chemical Physics, 7, (2), 366-372. (doi: 10.1039/b412066c).

Rotar, Adin, Silvestru, Anca, Silvestru, Cristian, Drake, John E., Hursthouse, Michael B., Light, Mark E., Bunaciu, Liana and Bunaciu, Petre, Gielen, Marcel (ed.) (2005) Structure and in vitro antibacterial activity of BuSnCl3-n (OPPh2)(SPPh2)N (n) (n=1, 2). Applied Organometallic Chemistry, 19, (4), 555-562. (doi: 10.1002/aoc.818).

Rousay, Esther R., Fu, Hongchen, Robinson, Jamie M, Essex, Jonathan W. and Frey, Jeremy G. (2005) Grid-based dynamic electronic publication: a case study using combined experiment and simulation studies of crown ethers at the air/water interface. Philosophical Transactions of the Royal Society A: Mathematical Physical and Engineering Sciences, 363, (1833), 2075-2095. (doi: 10.1098/rsta.2005.1630).

Rusling, David A., Powers, Vicki E.C., Ranasinghe, Rohan T., Wang, Yang, Osborne, Sadie D., Brown, Tom and Fox, Keith R. (2005) Four base recognition by triplex-forming oligonucleotides at physiological pH. Nucleic Acids Research, 33, (9), 3025-3032. (doi:10.1093/nar/gki625).

Salgueiro, Carlos A., Morgado, Leonor, Fonseca, Bruno, Lamosa, Pedro, Catarino, Teresa, Turner, David L. and Louro, Ricardo O. (2005) Binding of ligands originates small perturbations on the microscopic thermodynamic properties of a multicentre redox protein. FEBS Journal, 272, (9), 2251-2260. (doi:10.1111/j.1742-4658.2005.04649.x).

Salvini, Giuseppe, Headspith, Jon, Thomas, Stephen L., Derbyshire, Gareth, Dent, Andy, Rayment, Trevor, Evans, John, Farrow, Richard, Diaz-Moreno, Sofia and Ponchut, Cyril, Paszkowicz, Wojciech and Zięba, Andrzej (eds.) (2005) Detectors for energy-dispersive EXAFS (EDE) experiments. Nuclear Instruments & Methods in Physics Research Section A: Accelerators Spectrometers Detectors and Associated Equipment, 551, (1), 27-34. (doi: 10.1016/j.nima.2005.07.039).

Sanchez-Martin, Rosario M., Muzerelle, Mathilde, Chitkul, Nutcha, How, Siew Eng, Mittoo, Stifun and Bradley, Mark (2005) Bead-based cellular analysis, sorting and multiplexing. ChemBioChem, 6, (8), 1341-1345. (doi:10.1002/cbic.200500059).

Sandin, Peter, Wilhelmsson, Marcus, Lincoln, Per, Powers, Vicki E.C., Brown, Tom and Albinsson, Bo (2005) Fluorescent properties of DNA base analogue tC upon incorporation into DNA - negligible influence of neighbouring bases on fluorescence quantum yield. Nucleic Acids Research, 33, (16), 5019-5025. (doi: 10.1093/nar/gki790).

Sidorin, Dimitry, Pletcher, Derek and Hedges, Bill (2005) The electrochemistry of 13% chromium stainless steel in oilfield brines. Electrochimica Acta, 50, (20), 4109-4116. (doi: 10.1016/j.electacta.2005.01.027).

Singh, Garima, Bali, Sumit, Singh, Ajai K., Drake, John E., Macdonald, Charles L.B., Hursthouse, M.B. and Little, M E. (2005) Reactions of hybrid organotellurium ligands 1-(4-methoxyphenyltelluro)-2- 3-(6-methyl-2-pyridyl) propoxy ethane (L-1) and 1-ethylthio-2- 2-thienyltelluro ethane (L-2) with mercury(II) bromide: formation of complexes and their decomposition. Inorganica Chimica Acta, 358, (4), 912-918. (doi: 10.1016/j.ica.2004.10.021).

Skinner, Alison C., Ashton, Emma J., Sillibourne, Julie, Brown, Tom, Collins, Amanda L. and Bunyan, David J. (2005) A new approach for the identification of common point mutations within the dystrophin gene using MLPA. Journal of Medical Genetics, 42, (Supplement 1), S100-[1pp].

Skylaris, C.-K., Haynes, P.D., Mostofi, A.A. and Payne, M.C. (2005) Introducing ONETEP: Linear-scaling density functional simulations on parallel computers. Journal of Chemical Physics, 122, (8), 084119-[10 pages]. (doi:10.1063/1.1839852).

Skylaris, C.K., Haynes, P.D., Mostofi, A.A. and Payne, M.C. (2005) Using ONETEP for accurate and efficient O(N) density functional calculations. Journal of Physics-Condensed Matter, 17, (37), 5757-5769. (doi:10.1088/0953-8984/17/37/012).

Spencer, Howard J., Skabara, Peter J., Giles, Mark, McCulloch, Iain, Coles, Simon J. and Hursthouse, Michael B. (2005) The first direct experimental comparison between the hugely contrasting properties of PEDOT and the all-sulfur analogue PEDOT by analogy with well-defined EDTT-EDOT copolymers. Journal of Materials Chemistry, 15, (45), 4783-4792. (doi: 10.1039/b511075k).

Spong, Alan D., Vitins, Girts and Owen, John R. (2005) A solution-precursor synthesis of carbon-coated LiFePO4 for Li-ion cells. Journal of the Electrochemical Society, 152, (12), A2376-A2382. (doi: 10.1149/1.2120427).

Sturdy, Y.K., Skylaris, C.-K. and Clary, D.C. (2005) Torsional anharmonicity in the conformational analysis of β-D-galactose. Journal of Physical Chemistry B, 110, (8), 3485-3492. (doi:10.1021/jp053225a).

Stylianides, Neoklis, Danopoulos, Andreas A. and Tsoureas, Nikolaos (2005) (1)Pyridine and phosphine functionalised N-heterocyclic carbene complexes of rhodium and iridium. Journal of Organometallic Chemistry, 690, (24-25), 5948-5958. (doi:10.1016/j.jorganchem.2005.07.094).

Sugawara, Y., Kelf, Tim , Baumberg, Jeremy J, Abdelsalam, Mamdouh E., Bartlett, Phil N., Pelfrey, Suzanne H. and Russell, Andrea E. (2005) Engineering localised plasmons on nanostructured metallic surfaces for surface-enhanced Raman spectroscopy. In, Proceedings of 2005 Conference on Lasers & Electro-Optics (CLEO). Massachusetts, US, Optical Society of America, 767-769.

Sundstrom, Lars, Pringle, Ashley, Morrison III, Barclay and Bradley, Mark (2005) Organotypic cultures as tools for functional screening in the CNS. Drug Discovery Today, 10, (14), 993-1000. (doi:10.1016/S1359-6446(05)03502-6).

Tavassoli, Ali and Benkovic, Stephen J. (2005) Genetically selected cyclic-peptide inhibitors of AICAR transformylase homodimerization. Angewandte Chemie International Edition, 44, (18), 2760-2763. (doi:10.1002/anie.200500417).

Tavassoli, Ali, Duffy, James E.S. and Young, Douglas W. (2005) Synthesis of trimethyl (2S,3R)- and (2R,3R)-[2-H-2(1)]-homocitrates the corresponding dimethyl and ester lactones: towards elucidating the stereochemistry of the reaction catalysed by homocitrate synthase and by the Nif-V protein. Tetrahedron Letters, 46, (12), 2093-2096. (doi:10.1016/j.tetlet.2005.01.134).

Taylor, K.R., Gledhill, R.J., Essex, J.W. and Frey, J.G. (2005) Triple store databases and their role in high throughput, automated, extensible data analysis. Abstracts of Papers of the American Chemical Society, 229, U607-U607.

Taylor, Kieron R., Gledhill, Robert J., Essex, Jonathan W. and Frey, Jeremy G. (2005) Triple Store Databases and their role in high throughput, automated, extensible, data analysis. At 229th ACS National Meeting, San Diego, California, USA, 13 - 17 Mar 2005. USA, American Chemical Society.

Thomas, J.M. and Raja, R. (2005) Design of a "green" one-step catalytic production of epsilon-caprolactam (precursor of nylon-6). Proceedings of the National Academy of Sciences of the United States of America, 102, (39), 13732-13736. (doi:10.1073/pnas.0506907102).

Thomas, J.M. and Raja, R. (2005) Designing catalysts for clean technology, green chemistry, and sustainable development. Annual Review of Materials Research, 35, 315-350. (doi:10.1146/annurev.matsci.35.102003.140852).

Thomas, J.M. and Raja, R. (2005) Significance of mesoporous crystals for catalytic application. ChemInform, 36, (7), 163-211. (doi:10.1002/chin.200507237).

Thomas, John Meurig and Raja, Robert (2005) Design of a ‘‘green’’ one-step catalytic production of caprolactam (precursor of nylon-6). Proceedings of the National Academy of Sciences of the United States of America (PNAS), 102, (39), 13732-13736. (doi:10.1073/pnas.0506907102).

Thomas, John Meurig, Raja, Robert and Lewis, Dewi W. (2005) Single-site heterogeneous catalysts. Angewandte Chemie International Edition, 44, (40), 6456-6482. (doi:10.1002/anie.200462473).

Thomas, John Meurig, Raja, Robert and Lewis, Dewi W. (2005) Single-site heterogeneous catalysts. Angewandte Chemie International Edition, 44, (40), 6456-6482. (doi:10.1002/anie.200462473).

Tizzard, Graham John (2005) Structure-Property Relationships in Crystal Structures of Molecules with Non-Centrosymmetric Polymorphs - Brainfest 2005 talk. At Brainfest 2005, Southampton, UK, 02 Feb 2005.

Toschi, F., Leach, A.R., Bamborough, P. and Essex, J.W. (2005) Side-chain conformational changes on ligand binding: an analysis of the PDB. Abstracts of Papers of the American Chemical Society, 229, U758-U758.

Tromp, M., van Strijdonck, G.P.F., van Berkel, S.S., van den Hoogenband, A., Feiters, M.C., de Bruin, B., Fiddy, S.G., van der Eerden, A.M.J., van Bokhoven, J.A., van Leeuwen, P.W.N.M. and Koningsberger, D.C. (2005) Newly-developed in situ time-resolved spectroscopic techniques to reveal homogeneous catalytic reaction mechanisms. European Synchrotron Radiation Facility Highlights, 85-87.

Tromp, Moniek, van Bokhoven, Jeroen A., van Strijdonck, Gino P.F., van Leeuwen, Piet W.N.M., Koningsberger, Diek C. and Ramaker, David E. (2005) Probing the molecular orbitals and charge redistribution in organometallic (PP)Pd(XX) complexes. A Pd K-Edge XANES study. Journal of the American Chemical Society, 127, (2), 777-789. (doi:10.1021/ja048225n).

Troshin, Pavel A., Avent, Anthony G., Darwish, Adam D., Martsinovich, Natalia, Abdul-Sada, Ala'a K., Street, Joan M. and Taylor, Roger (2005) Isolation of two seven-membered ring C-58 fullerene derivatives: C58F17CF3 and C58F18. Science, 309, (5732), 278-281. (doi:10.1126/science.1111904).

Uslu, Aylin, Coles, Simon J., Davies, David B., Eaton, Robert J., Hursthouse, Michael B., Kiliç, Adem and Shaw, Robert A. (2005) Stereoisomerism in pentaerythritol-bridged cyclotriphosphazene tri-spiranes: spiro and ansa 1,3-propanediyldioxy disubstituted derivatives. European Journal of Inorganic Chemistry, (6), 1042-1047. (doi: 10.1002/ejic.200400796).

Valeur, E. and Bradley, M. (2005) PS-IIDQ: An efficient polymer-supported coupling reagent. Abstracts of Papers of the American Chemical Society, 229, U328-U328.

Valeur, Eric and Bradley, Mark (2005) PS-IIDQ: an efficient polymer-supported amide coupling reagent. Chemical Communications, (9), 1164-1166. (doi: 10.1039/b414889d).

Vega, Ismael El Drubi, Gale, Philip A., Light, Mark E. and Loeb, Stephen J. (2005) NH vs. CH hydrogen bond formation in metal-organic anion receptors containing pyrrolylpyridine ligands. Chemical Communications, (39), 4913-4915. (doi: 10.1039/b510506d).

Venkateswarlu, Revuru, Kamakshi, Chakicherla, Subhash, Pithani V., Moinuddin, Syed G A., Gowri, Mangala P., Ward, Robert S., Pelter, Andrew, Hursthouse, Michael B., Coles, Simon J. and Light, Mark E. (2005) Transformations of lignans. Part 10: acid-catalysed rearrangements of arboreol and wodeshiol and conversion of gmelanone oxime into a dihydropyranone derivative. Tetrahedron, 61, (37), 8956-8961. (doi: 10.1016/j.tet.2005.06.106).

Viehland, Larry A., Webb, Rhonda, Lee, Edmond P.F. and Wright, Timothy G. (2005) Accurate potential energy curves for HeO-, NeO-, and ArO-: spectroscopy and transport coefficients. Journal of Chemical Physics, 122, (11) (doi: 10.1063/1.1861874).

Wang, H. S. and Ganesan, A. (2005) Total synthesis of the fumiquinazoline alkaloids: Solid-phase studies. Journal of Combinatorial Chemistry, 2, (2), 186-194. (doi: 10.1021/cc9900807).

Ward, Suzanna C. (2005) Systematic Study into Salt Formation of Functionalised Organic Substrates. At Combeday 2005, Southampton, UK, 02 Feb 2005.

Watson, J.H.P., Ellwood, D.C., Cressey, B.A. and Lidzey, R.A. (2005) The adsorption of heavy metals by tochilinite, an iron sulfide material produced by chemical precipitation: analysis using a simple theory of chemisorption. Separation Science and Technology, 40, (5), 959-990. (doi:10.1081/SS-200051963).

Weller, Mark T. and Wiggin, Seth B. (2005) Boroarsenates: a framework motif and family templated on cations and anions. Journal of the American Chemical Society, 127, (49), 17172-17173. (doi:10.1021/ja055262l).

Welsh, Alan H., Mansson, Ralph A., Frey, Jeremy G. and Danos, Lefteris (2005) Statistical analysis of second harmonic generation experiments: a phenomenological model. Chemometrics and Intelligent Laboratory Systems, 75, (1), 45-54. (doi:10.1016/j.chemolab.2004.05.002).

Whiteford, Nava, Haslam, Niall, Weber, Gerald, Prugel-Bennett, Adam, Essex, Jonathan W., Roach, Peter L., Bradley, Mark and Neylon, Cameron (2005) An analysis of the feasibility of short read sequencing. Nucleic Acids Research, 33, (19), e171-[6pp]. (doi:10.1093/nar/gni170).

Wiggin, S.B. and Weller, M.T. (2005) Redetermination of CaB8O11(OH)(4) at low temperature. Acta Crystallographica Section E: Structure Reports Online, 61, (11), I243-I245. (doi: 10.1107/S1600536805029296).

Wiley, A P. and Essex, J.W. (2005) Application of digital filters to enhance conformational change in protein systems. Abstracts of Papers of the American Chemical Society, 229, U767-U767.

Wiley, Adrian P., Swain, Martin T., Phillips, Stephen C., Essex, Jonathan W. and Edge, Colin M. (2005) Parametrization of reversible digitally filtered molecular dynamics simulations. Journal of Chemical Theory and Computation, 1, (1), 24-35. (doi: 10.1021/ct049970t S1549-9618(04)09970-9).

Willitsch, S., Innocenti, F., Dyke, J.M. and Merkt, F. (2005) High-resolution pulsed-field-ionization zero-kinetic-energy photoelectron spectroscopic study of the two lowest electronic states of the ozone cation O-3(+). Journal of Chemical Physics, 122, (2) (doi: 10.1063/1.1829974).

Willitsch, Stefan, Innocenti, Fabrizio, Dyke, John M. and Merkt, Frederic (2005) High-resolution pulsed-field-ionization zero-kinetic-energy photoelectron spectroscopic study of the two lowest electronic states of the ozone cation O3+. Journal of Chemical Physics, 122, (2), 024311-[11pp]. (doi:10.1063/1.1829974).

Wilson, James, Cressey, Gordon, Cressey, Barbara, Ragnarsdottir, K. Vala, Savage, David, Cuadros, Javier and Shibata, Masahiro (2005) The effect of iron on bentonite stability. Geochimica Et Cosmochimica Acta, 69, (10, supplement ), A425-A425.

Wilson, Rowan A., Chan, Lai, Wood, Robin and Brown, Richard C.D. (2005) Synthesis and derivatisation of a novel spiro [1-benzofuran-2,4'-piperidin] -3-one scaffold. Organic & Biomolecular Chemistry, 3, (17), 3228-3235. (doi: 10.1039/b507339a).

Wilson, Rowan A., Chan, Lai, Wood, Robin and Brown, Richard C.D. (2005) Synthesis and derivatisation of a novel spiro[1-benzofuran-2,4′-piperidin]-3-one scaffold. Organic & Biomolecular Chemistry, 3, (17), 3228-3235. (doi:10.1039/B507339A). (PMID:16106306).

Wiltshire, Richard J.K., King, Colin R., Rose, Abigail, Wells, Peter P., Hogarth, Martin P., Thompsett, David and Russell, Andrea E. (2005) A PEM fuel cell for in situ XAS studies. Electrochimica Acta, 50, (25-26), 5208-5217. (doi: 10.1016/j.electacta.2005.05.038).

Wong, Lu Shin, Birembaut, Fabrice, Brocklesby, William S., Frey, Jeremy G. and Bradley, Mark (2005) Resin bead micro-UV-visible absorption spectroscopy. Analytical Chemistry, 77, (7), 2247-2251. (doi:10.1021/ac049319i).

Wong, Lu Shin, Brocklesby, William S. and Bradley, Mark (2005) Fibre optic pH sensors employing tethered non-fluorescent indicators on macroporous glass. Sensors and Actuators B: Chemical, 107, (2), 957-962. (doi:10.1016/j.snb.2004.11.040).

Woods, Christopher J., Ng, Muan Hong, Johnston, Steven, Murdock, Stuart E., Wu, Bing, Tai, Kaihsu, Fangohr, Hans, Jeffreys, Paul, Cox, Simon, Frey, Jeremy G., Sansom, Mark S.P. and Essex, Jonathan W. (2005) Grid computing and biomolecular simulation. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 363, (1833), 2017-2035. (doi: 10.1098/rsta.2005.1626).

Zhukov, A.A, Kiziroglou, M.E., Goncharov, A.V., Boardman, R., Ghanem, M.A., Abdelsalam, M., Novosad, V., Karapetrov, G., Li, X., Fangohr, H., de Groot, C.H., Bartlett, P.N. and de Groot, P.A.J. (2005) Shape-induced anisotropy in antidot arrays from self-assembled templates. IEEE Transactions on Magnetics, 41, (10), 3598-3600. (doi: 10.1109/TMAG.2005.854734).

Zhukov, A.A., Filby, E.T., Goncharov, A.V., Ghanem, M.A., Bartlett, P.N., Boardman, R., Fangohr, H., Metlushko, V.V., Novosad, V., Karapetrov, G. and de Groot, P.A.J. (2005) Self-assembly routes towards creating superconducting and magnetic arrays. Journal of Low Temperature Physics, 139, (1), 339-349. (doi:10.1007/s10909-005-3936-x).

Zhukov, A.A., Goncharov, A.V., De Groot,, P.A.J., Ghanem, M.A., El-Hallag, I.S., Bartlett, P.N., Boardman, R., Fangohr, H., Novosad, V. and Karapetrov, G. (2005) Oscillatory thickness dependence of the coercive field in three-dimensional anti-dot arrays from self-assembly. Journal of Applied Physics, 97, (10), 10J701 -[3pp]. (doi:10.1063/1.1847091).

van Beek, Jacco D., Carravetta, Marina, Antonioli, Gian Carlo and Levitt, Malcolm H. (2005) Spherical tensor analysis of nuclear magnetic resonance signals. Journal of Chemical Physics, 122, (24) (doi: 10.1063/1.1943947).

Ávalos, Martín, Babiano, Reyes, Cintas, Pedro, Hursthouse, Michael B., Jiménez, José L., Light, Mark E., Palacios, Juan C. and Silvero, Guadalupe (2005) Non-biaryl atropisomers derived from carbohydrates. Part 3: Rotational isomerism of sterically hindered heteroaryl imidazolidine-2-ones and 2-thiones. Tetrahedron, 61, (33), 7931-7944. ( doi:10.1016/j.tet.2005.06.017).

Ávalos, Martín, Babiano, Reyes, Cintas, Pedro, Hursthouse, Michael B., Jiménez, José L., Light, Mark E., Palacios, Juan C. and Silvero, Guadalupe (2005) Non-biaryl atropisomers derived from carbohydrates. Part 4: Absolute stereochemistry of carbohydrate-based imidazolidine-2-ones and 2-thiones with axial and central chirality. Tetrahedron, 61, (33), 7945-7959. (doi:10.1016/j.tet.2005.06.018).