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2012

Palmer, David S. and Frolov, Andrey I. and Ratkova, Ekaterina L. and Fedorov, Maxim V. (2012) In silico screening of bioactive molecules using molecular integral equation theory. Abstracts of papers - American Chemical Society, 243. 385-COMP. ISSN 0065-7727

2011

Fedorov, Maxim V. and Frolov, Andrey I. and Ratkova, Ekaterina L. and Palmer, David S. and Sergiievskyi, Volodymyr P. (2011) Efficient predictions of physchem properties of biomolecules in aqueous solutions using the Reference Interaction Site Model. Abstracts of papers - American Chemical Society, 242. ISSN 0065-7727

Graham, Duncan and Faulds, Karen and Thompson, David and McKenzie, Fiona and Dalton, Colette and Robson, Anna and Stevenson, Ross (2011) Functionalised nanoparticles and SERS for bioanalysis. [Review]

Romanova, Anastasia O. and Frolov, Andrey I. and Fedorov, Maxim V. (2011) Counter-ion effects on ionizable biomolecules in aqueous electrolyte solutions: understanding molecular mechanisms. Abstracts of papers - American Chemical Society, 242. -. ISSN 0065-7727

Fedorov, Maxim V. (2011) Molecular modeling of solvent-mediated effects in physical and biophysical chemistry. Abstracts of papers - American Chemical Society, 242. -. ISSN 0065-7727

Frolov, Andrey I. and Kirchner, Tom and Kirchner, Kathleen and Fedorov, Maxim V. (2011) Interactions of ionic liquids and their mixtures with carbon nanomaterials: insights from molecular modeling. Abstracts of papers - American Chemical Society, 242. -. ISSN 0065-7727

Frolov, Andrey I. and Arif, Raz N. and Romanova, Anastasia O. and Rozhin, Aleksey G. and Fedorov, Maxim V. (2011) Effects of salts on carbon nanotubes dispersions: understanding molecular mechanisms. Abstracts of papers - American Chemical Society, 242. -. ISSN 0065-7727

Xie, Hainan and Graham, Duncan (2011) Deciphering surface enhanced Raman scattering activity of gold nanoworms through optical correlations. Abstracts of papers - American Chemical Society, 242. -. ISSN 0065-7727

Sutcliffe, O. B. and Daeid, N. N. and Khreit, O. I. G. (2011) Tackling the forensic analytical challenges associated with the global increase in seizures of cathinone-derived "legal highs". Abstracts of papers - American Chemical Society, 242. 188-ANYL.

Wilson, Peter and Percy, Jonathan M. and Redmond, Joanna M. (2011) Negishi coupling of metallated difluoroenol derivatives based on trifluoroethanol. Abstracts of papers - American Chemical Society, 242. FLUO-65.

Caponi, P. F. and Ulijn, R. V. (2011) Enzyme/temperature responsive poly(2-isopropyl-2-oxazoline). Abstracts of papers - American Chemical Society, 242. 658-POLY.

Wankowski, James L. and Kennedy, Alan R. (2011) Nickel carbonate cage synthesis through degradation of [Ni-3(Trensal)(2)]. Abstracts of papers - American Chemical Society, 241. -. ISSN 0065-7727

Frolov, Andrey I. and Rozhin, Alex G. and Fedorov, Maxim V. (2011) Ion interactions with the carbon nanotube surface in aqueous solutions. Abstracts of papers - American Chemical Society, 241. -. ISSN 0065-7727

Ratkova, Ekaterina L. and Sergiievskyi, Volodymyr P. and Chuev, Gennady N. and Fedorov, Maxim V. (2011) Reference interaction site model with structural descriptors correction as an efficient tool for hydration free energy predictions. Abstracts of papers - American Chemical Society, 241. -. ISSN 0065-7727

Fedorov, Maxim V. and Frolov, Andrey I. and Romanova, Anastasia O. and Kirchner, Kathleen and Terekhova, Irina V. (2011) Ion effects on biomolecule conformation and complex formation in water. Abstracts of papers - American Chemical Society, 241. -. ISSN 0065-7727

Palmer, David and Ratkova, Ekaterina L. and Frolov, Andrey I. and Sergiievskyi, Volodymyr P. and Fedorov, Maxim V. (2011) Accurate calculation of the hydration free energies of biologically active molecules using the reference interaction site model. Abstracts of papers - American Chemical Society, 241. -. ISSN 0065-7727

Palmer, David S. and Jensen, Frank (2011) Predicting large-scale conformational changes in proteins using harmonic vibrational analyses. Abstracts of papers - American Chemical Society, 241. ISSN 0065-7727

Llona-Minguez, S. and Anthony, N. and Mackay, S. (2011) Design and synthesis of novel and selective IKK inhibitors. Abstracts of papers - American Chemical Society, 241.

Baldwin, L. A. and Murphy, J. A. and Sword, R. (2011) Fragmentations observed in the reactions of alpha-Methoxy-gamma-alkoxyalkyl iodide substrates with flexible super electron donors. Abstracts of papers - American Chemical Society, 241. 974-CHED.

2010

Graham, Duncan and Larmour, Iain and Argueta, Erick (2010) Detection of specific biomarkers within single cells using SERS and nanosensing. Abstracts of papers - American Chemical Society, 240. -. ISSN 0065-7727

Paterson, Laura C and Kerr, William J and Sutherland, Andrew (2010) Towards the total synthesis of Agariblazeispirol C. Abstracts of papers - American Chemical Society, 240. ORGN-118.

2009

Schottmiller, Chris and Beltz, Ryan and Poojari, Yadagiri and Clarson, Stephen J. and Kannan, Miriam Steinitz and Kannan, Ramamurthi and Patwardhan, Siddharth V. (2009) POLY 404-Effect of turbulence on biosilica structure and morphology. Abstracts of papers - American Chemical Society, 238. ISSN 0065-7727

Berger, Jacob and Graham, Duncan (2009) CHED 309-Functionalized nanoparticles as new tools for bioanalysis. Abstracts of papers - American Chemical Society, 238. -. ISSN 0065-7727

Birchall, Louise S. and Ulijn, Rein V. and Webb, Simon J. (2009) POLY 385-interfacing LCDs and bioresponsive hydrogels. Abstracts of papers - American Chemical Society, 238. ISSN 0065-7727

Ulijn, Rein V. and Mart, Robert J. and McDonald, Thomas T. and Thornton, Paul D. (2009) Designing peptide actuators for enzyme-responsive particles. Abstracts of papers - American Chemical Society, 238. ISSN 0065-7727

Eichhorn, Stephen J. and Kalaskar, Deepak and Ulijn, Rein and Gough, Julie E. and Alexander, Morgan and Scurr, David and Sampson, William W. (2009) Controlling cell morphology using amino acid modified cellulose. Abstracts of papers - American Chemical Society, 87 (9). ISSN 0065-7727

2008

Pascoe, Cherilyn and Graham, Duncan (2008) CHED 146-Functionalized nanoparticles as responsive nanobiosensors. Abstracts of papers - American Chemical Society, 236. -. ISSN 0065-7727

Stewart, A. Ian and Towrie, M. and Clark, Ian P. and Parker, Anthony W. and Ibrahim, Saad and Pickett, Chris J. and Hunt, Neil T. (2008) PHYS 329-Applications of ultrafast 2-D infrared spectroscopy to studies of the Fe-hydrogenase enzyme system. Abstracts of papers - American Chemical Society, 235. -. ISSN 0065-7727

2007

Patwardhan, Siddharth V. and Perry, Carole C. (2007) POLY 262 Interactions of biomolecules with inorganic materials : principles, applications and future prospects. Abstracts of papers - American Chemical Society, 234. ISSN 0065-7727

Gibbs, Timothy J. K. and Platts, Jamie A. and Tomkinson, Nicholas C. O. (2007) Chemical and theoretical tools for understanding iminium ion catalysis. Abstracts of papers - American Chemical Society, 234. ORGN-396. ISSN 0065-7727

Gibbs, Timothy J. K. and Elliott, Richard L. and Evans, Gareth and Jones, Ian L. and Platts, Jamie A. and Tomkinson, Nicholas C. O. (2007) Structure activity relationships of secondary amines in iminium ion catalysis. Abstracts of papers - American Chemical Society, 234. ORGN-631. ISSN 0065-7727

2006

Patwardhan, Siddharth V. and Clarson, Stephen J. (2006) POLY 709 From biosilicification to bioinspired functional materials. Abstracts of papers - American Chemical Society, 232. ISSN 0065-7727

Beltz, Ryan and Clarson, Stephen J. and Hamilton, Douglas W. and Kannan, Miriam Steinitz and Patwardhan, Siddharth V. (2006) POLY 531 Effect of flow on the structure of biological and synthetic minerals. Abstracts of papers - American Chemical Society, 232. ISSN 0065-7727

Ruda, Antonio M. and Cavill, Julie L. and Tomkinson, Nicholas C. O. (2006) ORGN 140-8-Aryl menthamine-derived scaffolds for iminium ion catalysis. Abstracts of papers - American Chemical Society, 232. 140-ORGN. ISSN 0065-7727

Faulds, K. and Ricketts, Alastair and McCarney, Karen M. and Smith, W.E. and Graham, D. (2006) Multiplexed detection of infectious diseases by SERRS. Abstracts of papers - American Chemical Society, 231. Anyl 314. ISSN 0065-7727

Graham, D. and Dougan, J.A. and Faulds, K. and Karlsson, Camilla and Smith, W.E. and Thompson, David (2006) Functionalised nanoparticles as novel biosensing materials. Abstracts of papers - American Chemical Society, 231. ISSN 0065-7727

Khan, T.A. and Murphy, J.A. (2006) Highly efficient reduction of unactivated aryl and alkyl iodides by a ground-state neutral organic electron donor. Abstracts of papers - American Chemical Society, 231.

Strevens, Robert and Tomkinson, Nicholas C. O. (2006) Design, synthesis and evaluation of novel steroid mimics. Abstracts of papers - American Chemical Society, 231. MEDI-043. ISSN 0065-7727

Jones, Teyrnon C. and Killeen, Niall M. and Jones, Kerri L. and Tomkinson, Nicholas C. O. and Hall, Adrian. (2006) New reagents for the metal-free one-pot alpha-functionalisation of carbonyl compounds. Abstracts of papers - American Chemical Society, 231. 365-ORGN. ISSN 0065-7727

2005

Reid, A.K. and Graham, D. (2005) Oligonucleotide synthesis by peptide chemistry. Abstracts of papers - American Chemical Society, 229. U530-U530. ISSN 0065-7727

Graham, D. and Smith, W.E. and Fruk, L. and Robson, D.C. and Faulds, K. and Dodds, Mark (2005) SERRS beacons as a new class of nanoparticle biosensor for DNA detection. Abstracts of papers - American Chemical Society, 229 (1). U136-U136. ISSN 0065-7727

Hernandez-Santana, A. and Graham, D. and Smith, W.E. and Cormack, P. and McCabe, A. (2005) Polymeric SERRS beads for ultra-sensitive analysis. Abstracts of papers - American Chemical Society, 229 (1). U152-U152. ISSN 0065-7727

Bain, E. J. and Hall, P.J. and Sherrington, D.C. and Heenan, R.K. and Wozniak, D. (2005) Hypercrosslinked resins as precursors to carbon electrodes in electrochemical capacitors: pore structure characterization of resins and pyrolytic carbons. Abstracts of papers - American Chemical Society, 229 (1). U853-U853. ISSN 0065-7727

Cunningham, D. and Khan, I. and Littleford, R.E. and Smith, W.E. and McComb, D.W. and Graham, D. (2005) Characterisation of silver nanoparticles by a combined serbs mapping and tem approach. Abstracts of papers - American Chemical Society, 229 (1). U1051-U1051. ISSN 0065-7727

Clarson, S J and Patwardhan, S V (2005) (Bio)macromolecule mediated synthesis of silica and germania. Abstracts of papers - American Chemical Society, 229. U920-U920. ISSN 0065-7727

Patwardhan, S V and Belton, D and Perry, C C (2005) Role(s) of synthetic and biological macromolecules in (bio)silicification. Abstracts of papers - American Chemical Society, 229. U920-U920. ISSN 0065-7727

2004

Rannard, S.P. and Sherrington, D.C. and Rogers, S.H. and Royles, B. and Graham, S. and Findlay, P.H. (2004) One-pot synthesis of branched and graft block copolymers. Abstracts of papers - American Chemical Society, 228 (91). U416. ISSN 0065-7727

Taori, V P and Hassan, M K and Patwardhan, S V and Mark, J E and Clarson, S J (2004) Reinforcement of poly(dimethylsiloxane) elastomers using bioinspired silica. Abstracts of papers - American Chemical Society, 227. U443-U443. ISSN 0065-7727

Patwardhan, S V and Shiba, K and Clarson, S J (2004) Synthetic routes to bioinspired silica utilizing macromolecules and biomacromolecules. Abstracts of papers - American Chemical Society, 227. U446-U446. ISSN 0065-7727

2003

Patwardhan, S V and Clarson, S J (2003) Synthesis of amorphous germanium dioxide particles mediated by a macromolecule. Abstracts of papers - American Chemical Society, 226. U361-U361. ISSN 0065-7727

Patwardhan, S V and Clarson, S J (2003) Macromolecule mediated rapid synthesis of amorphous germania particles. Abstracts of papers - American Chemical Society, 226. U762-U762. ISSN 0065-7727

Patwardhan, S V and Clarson, S J (2003) (Bio)macromolecule directed synthesis of nano- and microparticles. Abstracts of papers - American Chemical Society, 226. U405-U405. ISSN 0065-7727

Graham, D. and Smith, W.E. and Ljiljana, F. and Aaron, H. and Robson, D.C. and Leann, T. (2003) Diels Alder cycloadditions for synthesis of conjugated oligonucleotides. Abstracts of papers - American Chemical Society, 225 (007-CA). U252-U253. ISSN 0065-7727

Stevenson, L.C. and Graham, D. and Moore, B.D. (2003) Novel screening method for enzyme activity and enantioselectivity using surface enhanced resonance Raman scattering. Abstracts of papers - American Chemical Society, 225 (368-BI). U243-U244. ISSN 0065-7727

Patwardhan, S V and Clarson, S J (2003) Silicification and biosilicification : role of macromolecules. Abstracts of papers - American Chemical Society, 225. U22-U22. ISSN 0065-7727

Patwardhan, S V and Clarson, S J (2003) Biomimetic synthesis of silica structures. Abstracts of papers - American Chemical Society, 225. U663-U663. ISSN 0065-7727

2002

Waddell, R J H and Littlejohn, D and Nic Daeid, Niamh (2002) Organic and inorganic impurity profiling in illicit ecstasy seizures with the application of principle component analysis. Abstracts of papers - American Chemical Society, 224. U122-U123. ISSN 0065-7727

Clarson, S J and Whitlock, P W and Patwardhan, S V and Brott, L L and Naik, R R and Stone, M O (2002) Synthesis of silica nanostructures at neutral pH using catalytic polypeptides. Abstracts of papers - American Chemical Society, 223. D92-D92. ISSN 0065-7727

2001

McHugh, C.J. and Smith, W.E. and Graham, D. (2001) Chemical manipulation of explosives using novel multifunctional reagents (MFRS) for analysis by SERRS. Abstracts of papers - American Chemical Society, 222 (275-OR). U86-U87. ISSN 0065-7727

Graham, D. and Mallinder, B.J. and Brown, R. and Smith, W.E. (2001) Multiplex genotyping by SERRS using chemically modified oligonucleotides. Abstracts of papers - American Chemical Society, 222 (17-CAR). U163-U163. ISSN 0065-7727

Calo, J.M. and Hall, P.J. and Antxustegi, M.M. (2001) Porosity characterization of wyodak coal char via small angle neutron scattering (sans). Abstracts of papers - American Chemical Society, 222. U474-U474. ISSN 0065-7727

Calo, J.M. and Hall, P.J. and Houtmann, S. and Winans, R.E. and Seifert, S. (2001) In situ determination of porosity during gasification via saxs/tga. Abstracts of papers - American Chemical Society, 222. U477-U477. ISSN 0065-7727

Zhou, S.Z. and Bommezijn, S. and Murphy, J.A. (2001) Formal total synthesis of (+/-)Vindoline by tandem radical cyclization. Abstracts of papers - American Chemical Society, 222 (2). U75-U75. ISSN 0065-7727

Graham, D. and Grondin, A. and Robson, D. and Smith, W.E. (2001) Production of SERS active Diels Alder cycloadducts using a novel benzotriazole dienophile for use in biological labeling. Abstracts of papers - American Chemical Society, 221 (241-OR). U144-U145. ISSN 0065-7727

Graham, D. and Brown, R. and Smith, W.E. (2001) Attachment of specific labels to oligonucleotides for SERRS detection. Abstracts of papers - American Chemical Society, 221 (91-CAR). U169-U169. ISSN 0065-7727

2000

Dick, C.M. and Liggat, J.J. and Snape, Colin and Martin, S.C. and Denecker, C. and Seeley, G. and Eling, B. and Lindsay, C. (2000) Solid state NMR study on the effects of fire retardants on the thermal degradation of a flexible polyurethane foam. Abstracts of papers - American Chemical Society, 220. U334-U334. ISSN 0065-7727

Liggat, J.J. and Snape, Colin and Dick, C.M. (2000) Solid-state c-13 NMR and high-temperature h-1 NMR investigation of char formation in pvc degradation. Abstracts of papers - American Chemical Society, 219. U483-U483. ISSN 0065-7727

Liggat, J.J. and Denecker, C. and Dick, C.M. and Martin, S.C. and Snape, Colin and Mohammed, M.H. and Seeley, G. and Eling, B. (2000) Solid-state NMR study on the effect of fire retardants in the condensed phase for polyurethanes. Abstracts of papers - American Chemical Society, 219. U483-U483. ISSN 0065-7727

1999

Tyagi, Y.R. and Diez, M.C. and Martin, S.C. and Wallace, C.L. and Hall, P.J. and Koon, C.L. and Hughes, R. (1999) Yield and composition of fcc stripper coke from mat and fluidized-bed reactors. Abstracts of papers - American Chemical Society, 218. U243-U243. ISSN 0065-7727

Snape, Colin and Tyagi, Y.R. and Diez, M.C. and Hall, P.J. and Martin, S.C. (1999) Characterization of coke on hds catalysts and a novel approach to catalyst regeneration. Abstracts of papers - American Chemical Society, 218. U634-U634.

Roberts, B.A. and Raston, C.L. and Mulvey, R.E. and Kennedy, A.R. and Rowlings, R.B. (1999) Oxygen incorporation in mixed S-block macrocyclic amide-ring systems. Abstracts of papers - American Chemical Society, 218. p. 420. ISSN 0065-7727

1997

Mulvey, Robert and Rowlings, R (1997) Fused-ring structures of magnesium diamide dimers. Abstracts of papers - American Chemical Society, 214. ISSN 0065-7727

1995

Hall, P.J. and Antxustegi, M.M. and Calo, J.M. and Thiyagarajan, P. (1995) The development of porosity in Pittsburgh No 8 char as studied using contrast matching small-angle neutron-scattering. Abstracts of papers - American Chemical Society, 210 (1). ISSN 0065-7727

Mulvey, Robert and MACKENZIE, F M (1995) Surprising structural variation in simple lithium anilides. Abstracts of papers - American Chemical Society, 210. ISSN 0065-7727

Mulvey, Robert and ROSS, M J and CLEGG, W and HORSBURGH, L (1995) Dilithio acetylacetone: remarkable solid state structural complexity. Abstracts of papers - American Chemical Society, 210. ISSN 0065-7727

Kalin, R. and Burns, K. and Jull, A.T.J (1995) Studies of residence time of 14C in human bones: An application of AMS to forensic science. Abstracts of papers - American Chemical Society, 209 (2). p. 35. ISSN 0065-7727

1994

Norton, F.J. and Hall, P.J. and Love, G.D. (1994) Cellulose derived carbons for use as adsorbents in methane storage. Abstracts of papers - American Chemical Society, 207 (1). p. 77. ISSN 0065-7727

1993

McArthur, C.A. and Hall, P.J. and Mackinnon, A.J. and Snape, Colin (1993) Effect of chlorobenzene pretreatment on macromolecular structure of Pittsburgh no-8 coal. Abstracts of papers - American Chemical Society, 206. 105-FUEL. ISSN 0065-7727

ANDREWS, P C and BAKER, D R and Mulvey, Robert and CLEGG, W and ONEIL, P (1993) Structural and mechanistic variations in the alkali metal amide chemistry of dibenzylamine. Abstracts of papers - American Chemical Society, 206. ISSN 0065-7727

HENDERSON, K W and Mulvey, Robert (1993) Synthesis of Bis(amido) magnesium compounds via reaction of chelating alkali-metal amides with a Grignard-reagent. Abstracts of papers - American Chemical Society, 205. ISSN 0065-7727

1992

McArthur, C.A. and Mackinnon, A.J. and Snape, Colin and Hall, P.J. (1992) The effects of pretreatment by nonpolar-solvents on coal-liquefaction behavior and structure. Abstracts of papers - American Chemical Society, 203. 78-FUEL. ISSN 0065-7727

Mackinnon, A.J. and Pethrick, R.A. and Hall, P.J. (1992) Mechanisms of positron-annihilation in coals and solvent extracted coals. Abstracts of papers - American Chemical Society, 203. 94-FUEL. ISSN 0065-7727

Mulvey, Robert and Andrews, P.C. and Clegg, W. and O'Neil, P.A. (1992) Structural variations in alkali-metal amide chemistry and their influence on reactivity. [Review]