Research Profile

Simon Lawrence

Biography

Dr Simon Lawrence obtained his BSc and PhD from the University of Durham. He spent a year as a post-doctoral research associate at University of Manchester Institute of Science and Technology, with Professor Roger Davey followed by a year as a post-doctoral research associate at Imperial College of Science, Technology and Medicine, before joining the staff at UCC.

His research interests are in the understanding of the organic solid state where he leads a group investigating issues such as crystal engineering, crystallisation, polymorphism, co-crystallisation and crystal growth . He is a member of the Analytical and Biological Chemistry Research Facility (ABCRF http://www.ucc.ie/en/abcrf/) and the Synthesis and Solid State Pharmaceutical Centre (SSPC http://www.sspc.ie/), a large scale collaboration involving both industry and academia which is funded by Science Foundation Ireland, and for which he is responsible for the projects investigating co-crystallization. He has been elected Chair of the COST Action CM4102 "From molecules to crystals - how do organic molecules form crystals? (Crystallize)" which runs from 2015 -2018. He has 76 publications with an h-factor of 16. Grant income for the 2008-14 period is €2.1M (SFI €1.3M, EU €0.5M, IRC €0.24M) and total grant income over career is €2.6M.

Research Interests

My research interests are in understanding and controlling the organic solid state, encompassing crystal engineering, co-crystallization, polymorphism and nucleation itself. 

New synthons for crystal engineering Understanding the intermolecular interactions that occur between molecules is vital for the design of new materials and with specific purpose. Investigation into functional groups that have received little attention is of increasing importance as the pharmaceutical industry looks to new classes of compounds, which often display suitable activity but poor attributes for commercial success. The interplay between weak and strong intermolecular interactions, and between hydrogen and halogen bonding, is Increasingly of importance. Our research is particularly focussed on sulfur functional groups.

Co-crystallization is one strategy that can be important to overcome problems with drug molecules that display poor physicochemical properties. This involves crystallizing two or more molecules together to form a new crystalline entity. The molecules can both be neutral molecules, although recently interest has also focussed on the development and properties of ionic cocrystals.

Solution Structure and Nucleation are the processes from which crystalline materials form. Understanding these processes is a complex task, although recent developments in both experimental and computational techniques are allowing access to these phenomena.

 Current projects are investigating the co-crystallization of nutraceuticals, the use of cocrystals for chiral resolution and the structure of the solution phase and nucleation.

The COST Action CM1402 on "From molecules to crystals - how do organic molecules form crystals? (Crystallize)" brings together scientists from Europe (and beyond) to examine the solution phase, nucleation, and crystal growth during the crystallization process and to use this knowledge in applied situations. This is open to any interested parties in both academia and industry.

Publications

Book Chapters

 YearPublication
(2015)'Impurity exclusion and retention during crystallisation and recrystallisation; the phenacetin by ethylation of paracetamol process'
Horgan, Danielle E.; Crowley, Lorraine M.; Stokes, Stephen P.; Lawrence, Simon E.; Moynihan, Humphrey A. (2015) 'Impurity exclusion and retention during crystallisation and recrystallisation; the phenacetin by ethylation of paracetamol process' In: Mastai, Yitzhak (eds). Advanced topics in crystallization. Rijeka: InTech. [DOI] [CORA Link] [Details]

Abstract

 YearPublication
(2010)Cocrystals of sulfoxides and thioamides.
Lindeman, AE,Elcoate, C,Lawrence, S (2010) Cocrystals of sulfoxides and thioamides. Abstract [Details]

Conference Publications

 YearPublication
(1998)Supported Reagents and Catalysts in Chemistry
S. O'Brien, T.R. Spalding, S.E. Lawrence & M.A. Morris; (1998) The formation of gel precursors to mesoporous silicon oxides: fast synthetic routes and doping in these materials Supported Reagents and Catalysts in Chemistry , pp.116-121 [Details]

Peer Reviewed Journals

 YearPublication
(2017)'Symmetry assisted tuning of bending and brittle multi-​component forms of probenecid'
Rao Khandavilli, U. B.; Bhogala, Balakrishna R.; Maguire, Anita R.; Lawrence, Simon E. (2017) 'Symmetry assisted tuning of bending and brittle multi-​component forms of probenecid'. Chemical Communications, [DOI] [Details]
(2017)'Enantioselective copper catalysed intramolecular C-​H insertion reactions of α-​diazo-​β-​keto sulfones, α-​diazo-​β-​keto phosphine oxides and 2-​diazo-​1,​3-​diketones; the influence of the carbene substituent'
Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R. (2017) 'Enantioselective copper catalysed intramolecular C-​H insertion reactions of α-​diazo-​β-​keto sulfones, α-​diazo-​β-​keto phosphine oxides and 2-​diazo-​1,​3-​diketones; the influence of the carbene substituent'. Organic and Biomolecular Chemistry, [DOI] [Details]
(2016)'Exploring the Scope of Asymmetric Synthesis of β-​Hydroxy-​γ-​lactams via Noyori-​type Reductions'
Lynch, Denis; Deasy, Rebecca E.; Clarke, Leslie-Ann; Slattery, Catherine N.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Magnus, Nicholas A.; Moynihan, Humphrey A. (2016) 'Exploring the Scope of Asymmetric Synthesis of β-​Hydroxy-​γ-​lactams via Noyori-​type Reductions'. Organic letters, 18 (19):4978-4981 [DOI] [Details]
(2016)'Cinchona-​catalysed, Enantioselective Synthesis of β-​Peroxycarboxylic Acids, β-​Peroxyesters and β-​Peroxya'
O'Reilly, Kate; Gupta, Manoj K.; Gandhi, Hiren K.; Kumar, Vydyuta P.; Eccles, Kevin S.; Lawrence, Simon E.; O'Sullivan, Timothy P. (2016) 'Cinchona-​catalysed, Enantioselective Synthesis of β-​Peroxycarboxylic Acids, β-​Peroxyesters and β-​Peroxya'. Current Organic Chemistry, 20 (24):2633-2638 [DOI] [Details]
(2016)'Diversity in a simple co-crystal: racemic and kryptoracemic behaviour'
Rao Khandavilli U.B.; Lusi M.; Bhogala B.R.; Maguire A.R.; Stein M.; Lawrence S.E.; (2016) 'Diversity in a simple co-crystal: racemic and kryptoracemic behaviour'. Chemical Communications, 52 (53):8309-8312 [DOI] [CORA Link] [Details]
(2016)'Methyl tetra-O-acetyl-alpha-D-glucopyranuronate: crystal structure and influence on the crystallisation of the beta anomer'
Hayes, JA; Eccles, KS; Lawrence, SE; Moynihan, HA (2016) 'Methyl tetra-O-acetyl-alpha-D-glucopyranuronate: crystal structure and influence on the crystallisation of the beta anomer'. Carbohydrate Research, 425 :35-39 [DOI] [Details]
(2016)'Design and Synthesis of Ternary Cocrystals Using Carboxyphenols and Two Complementary Acceptor Compounds'
Adsmond, DA; Sinha, AS; Khandavilli, UBR; Maguire, AR; Lawrence, SE (2016) 'Design and Synthesis of Ternary Cocrystals Using Carboxyphenols and Two Complementary Acceptor Compounds'. Crystal Growth & Design, 16 :59-69 [DOI] [Details]
(2015)'Investigating C=S center dot center dot center dot I Halogen Bonding for Cocrystallization with Primary Thioamides'
Eccles, KS;Morrison, RE;Sinha, AS;Maguire, AR;Lawrence, SE (2015) 'Investigating C=S center dot center dot center dot I Halogen Bonding for Cocrystallization with Primary Thioamides'. Crystal Growth & Design, 15 :3442-3451 [DOI] [Details]
(2015)'Asymmetric Aldol-Tishchenko Reaction of Sulfinimines'
Foley, VM;McSweeney, CM;Eccles, KS;Lawrence, SE;McGlacken, GP (2015) 'Asymmetric Aldol-Tishchenko Reaction of Sulfinimines'. Organic letters, 17 :5642-5645 [DOI] [Details]
(2015)'Novel Co-crystals of the Nutraceutical Sinapic Acid'
A. S. Sinha, U. B. Rao Khandavilli, E. L. O'Connor, B. J. Deadman, A. R. Maguire and S. Lawrence (2015) 'Novel Co-crystals of the Nutraceutical Sinapic Acid'. CrystEngComm, [DOI] [CORA Link] [Details]
(2015)'Demonstrating the influence of solvent choice and crystallization conditions on phenacetin crystal habit and particle size distribution'
Croker, Denise; Kelly, Dawn M.; Hodnett, Benjamin K.; Lawrence, Simon E.; Horgan, Danielle E.; Moynihan, Humphrey A..; Rasmusson, Ake (2015) 'Demonstrating the influence of solvent choice and crystallization conditions on phenacetin crystal habit and particle size distribution'. Organic Process Research & Development, 19 (12):1826-1836 [DOI] [Details]
(2015)'Cocrystallization of nutraceuticals'
Sinha, A; Maguire, A; Lawrence, S E. (2015) 'Cocrystallization of nutraceuticals'. Crystal Growth & Design, 15 (2):984-1009 [DOI] [Details]
(2014)'Crystal Landscape of Primary Aromatic Thioamides'
Eccles, K. S.,Morrison, R. E.,Maguire, A. R.,Lawrence, S. E. (2014) 'Crystal Landscape of Primary Aromatic Thioamides'. Crystal Growth & Design, 14 (66):2753-2762 [Details]
(2014)'Insight into the Mechanism of Formation of Channel Hydrates via Templating'
Stokes, S. P.,Seaton, C. C.,Eccles, K. S.,Maguire, A. R.,Lawrence, S. E. (2014) 'Insight into the Mechanism of Formation of Channel Hydrates via Templating'. Crystal Growth & Design, 14 (33):1158-1166 [Details]
(2014)'Catalyst and substituent effects on the rhodium(II)-catalyzed intramolecular Buchner reaction'
McNamara, Orla A.,Buckley, N. Rachael,O'Leary, Patrick,Harrington, Francis,Kelly, Norma,O'Keeffe, Sarah,Stack, Angela,O'Neill, Shane,Lawrence, Simon E.,Slattery, Catherine N.,Maguire, Anita R. (2014) 'Catalyst and substituent effects on the rhodium(II)-catalyzed intramolecular Buchner reaction'. Tetrahedron, 70 (38):6870-6878 [Details]
(2014)'Synthetic and mechanistic aspects on the competition between C-H insertion and hydride transfer in copper-mediated transformations of a-diazo-ß-keto sulfones'
Slattery, Catherine N.,Ford, Alan,Eccles, Kevin S.,Lawrence, Simon E.,Maguire, Anita R. (2014) 'Synthetic and mechanistic aspects on the competition between C-H insertion and hydride transfer in copper-mediated transformations of a-diazo-ß-keto sulfones'. Synlett, 25 (4):591-595 [Details]
(2014)'Supramolecular stacking motifs in the solid state of amide and triazole derivatives of cellobiose'
John A. Hayes, Kevin S. Eccles, Simon J. Coles, Simon E. Lawrence, Humphrey A. Moynihan (2014) 'Supramolecular stacking motifs in the solid state of amide and triazole derivatives of cellobiose'. Carbohydrate Research, 388 :67-72 [CORA Link] [Details]
(2014)'Pd-catalyzed intramolecular regioselective arylation of 2-pyrones, pyridones, coumarins and quinolones by C-H bond functionalization'
Nolan, Marie-Therese,Bray, Joshua T. W.,Eccles, Kevin,Cheung, Man Sing,Lin, Zhenyang,Lawrence, Simon E.,Whitwood, Adrian C.,Fairlamb, Ian J. S.,McGlacken, Gerard P. (2014) 'Pd-catalyzed intramolecular regioselective arylation of 2-pyrones, pyridones, coumarins and quinolones by C-H bond functionalization'. Tetrahedron, 70 (40):7120-7127 [Details]
(2014)'Enantioselective copper catalysed C-H insertion reaction of 2-sulfonyl-2-diazoacetamides to form gamma-lactams'
Clarke, Leslie Ann,Ring, Aoife,Ford, Alan,Sinha, Abhijeet S.,Lawrence, Simon E.,Maguire, Anita R. (2014) 'Enantioselective copper catalysed C-H insertion reaction of 2-sulfonyl-2-diazoacetamides to form gamma-lactams'. Organic and Biomolecular Chemistry, 12 (38):7612-7628 [Details]
(2013)'Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides'
Eccles, Kevin S.,Morrison, Robin E.,Daly, Carla A.,O'Mahony, Graham E.,Maguire, Anita R.,Lawrence, Simon E. (2013) 'Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides'. CrystEngComm, 15 (37):7571-7575 [Details]
(2013)'Crystal Polymorphism of Methyl 2,3,4-tri-O-acetyl-1-O-(trichloroacetimidoyl)-a-d-glucopyranouronate'
Hayes, John A.,Eccles, Kevin S.,Elcoate, Curtis J.,Daly, Carla A.,Lawrence, Simon E.,Moynihan, Humphrey A. (2013) 'Crystal Polymorphism of Methyl 2,3,4-tri-O-acetyl-1-O-(trichloroacetimidoyl)-a-d-glucopyranouronate'. Journal of Chemical Crystallography, 43 (3):138-143 [Details]
(2013)'Hydrogen bonding in crystal forms of primary amide functionalized glucose and cellobiose'
Humphrey A. Moynihan, John A. Hayes, Kevin S. Eccles, Simon J. Coles, Simon E. Lawrence (2013) 'Hydrogen bonding in crystal forms of primary amide functionalized glucose and cellobiose'. Carbohydrate Research, 374 :29-39 [CORA Link] [Details]
(2013)'Investigation of steric and electronic effects in the copper-catalysed asymmetric oxidation of sulfides'
O'Mahony, G. E.,Eccles, K. S.,Morrison, R. E.,Ford, A.,Lawrence, S. E.,Maguire, A. R. (2013) 'Investigation of steric and electronic effects in the copper-catalysed asymmetric oxidation of sulfides'. Tetrahedron, 69 (4747):10168-10184 [Details]
(2013)'Synthetic approaches to the daucane sesquiterpene derivatives employing the intramolecular Buchner cyclisation of alpha-diazoketones'
Foley, David A.,O'Leary, Patrick,Buckley, N. Rachael,Lawrence, Simon E.,Maguire, Anita R. (2013) 'Synthetic approaches to the daucane sesquiterpene derivatives employing the intramolecular Buchner cyclisation of alpha-diazoketones'. Tetrahedron, 69 (6):1778-1794 [Details]
(2012)'Investigating the influence of the sulfur oxidation state on solid state'
Daly, Carla A.; Eccles, Kevin S.; Bateman, Lorraine M.; O'Boyle, Noel M.; Lawrence, Simon E.; Maguire, Anita R. (2012) 'Investigating the influence of the sulfur oxidation state on solid state'. CrystEngComm, 14 (23):7848-7850 [CORA Link] [Details]
(2012)'Utilizing Sulfoxide...Iodine Halogen Bonding for Cocrystallization'
Eccles, Kevin; Morrison, Robin; Stokes, Stephen; O'Mahony, Graham; Hayes, John; Kelly, Dawn; O'Boyle, Noel; Fabian, Laszlo; Moynihan, H.; Maguire, Anita; Lawrence, Simon E. (2012) 'Utilizing Sulfoxide...Iodine Halogen Bonding for Cocrystallization'. Crystal Growth and Design, 12 (6):2969-2977 [CORA Link] [Details]
(2012)'Understanding the p-Toluenesulfonamide/Triphenylphosphine Oxide Crystal Chemistry: A New 1:1 Cocrystal and Ternary Phase Diagram'
Croker, Denise M.; Foreman, Michael E.; Hogan, Bridget N.; Maguire, Nuala M.; Elcoate, Curtis J.; Hodnett, Benjamin K.; Maguire, Anita R.; Rasmuson, Ake C.; Lawrence, Simon E. (2012) 'Understanding the p-Toluenesulfonamide/Triphenylphosphine Oxide Crystal Chemistry: A New 1:1 Cocrystal and Ternary Phase Diagram'. Crystal Growth & Design, 12 (2):869-875 [DOI] [CORA Link] [Details]
(2012)'Preparation and characterization of solid state forms of paracetamol-O-glucuronide'
Hayes, John A.; Eccles, Kevin S.; Lawrence, Simon E.; Moynihan, Humphrey A (2012) 'Preparation and characterization of solid state forms of paracetamol-O-glucuronide'. Carbohydrate Research, 349 :108-112 [DOI] [Details]
(2012)'Characterisation, solubility and intrinsic dissolution behaviour of benzamide: dibenzyl sulfoxide cocrystal'
Grossjohann, C,Eccles, KS,Maguire, AR,Lawrence, SE,Tajber, L,Corrigan, OI,Healy, AM (2012) 'Characterisation, solubility and intrinsic dissolution behaviour of benzamide: dibenzyl sulfoxide cocrystal'. International Journal of Pharmaceutics, 422 :24-32 [DOI] [CORA Link] [Details]
(2012)'Structure–function analysis of the C-3 position in analogues of microbial behavioural modulators HHQ and PQS'
Reen, F. Jerry; Clarke, Sarah L.; Legendre, Claire; McSweeney, Christina M.; Eccles, Kevin S.; Lawrence, Simon E.; O'Gara, Fergal; McGlacken, Gerard P (2012) 'Structure–function analysis of the C-3 position in analogues of microbial behavioural modulators HHQ and PQS'. Organic and Biomolecular Chemistry, 10 (44):8903-8910 [Details]
(2011)'Cocrystals of Fenamic Acids with Nicotinamide'
Fabian, L,Hamill, N,Eccles, KS,Moynihan, HA,Maguire, AR,McCausland, L,Lawrence, SE; (2011) 'Cocrystals of Fenamic Acids with Nicotinamide'. Crystal Growth & Design, 11 :3522-3528 [DOI] [CORA Link] [Details]
(2011)'Unzipping the Dimer in Primary Amides by Cocrystallization with Sulfoxides'
Eccles,Kevin S.,Elcoate,Curtis J.,Maguire,Anita R.,Lawrence,Simon E. (2011) 'Unzipping the Dimer in Primary Amides by Cocrystallization with Sulfoxides'. Crystal Growth & Design, 11 (10):4433-4439 [CORA Link] [Details]
(2011)'The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation'
Eccles,Kevin S., Deasy,Rebecca E., Fabian,Laszlo, Maguire,Anita R., Lawrence,Simon E. (2011) 'The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation'. Journal of Organic Chemistry, 76 (4):1159-1162 [CORA Link] [Details]
(2011)'Expanding the crystal landscape of isonicotinamide: concomitant polymorphism and co-crystallisation'
Eccles,Kevin S.,Deasy,Rebecca E.,Fabian,Laszlo,Braun,Doris E.,Maguire,Anita R.,Lawrence,Simon E. (2011) 'Expanding the crystal landscape of isonicotinamide: concomitant polymorphism and co-crystallisation'. CrystEngComm, 13 (23):6923-6925 [CORA Link] [Details]
(2011)'Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?'
Eccles, KS,Stokes, SP,Daly, CA,Barry, NM,McSweeney, SP,O'Neill, DJ,Kelly, DM,Jennings, WB,Dhubhghaill, OMN,Moynihan, HA,Maguire, AR,Lawrence, SE; (2011) 'Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?'. Journal of Applied Crystallography, 44 :213-215 [DOI] [CORA Link] [Details]
(2011)'Synthesis of enantioenriched sulfoxides'
O'Mahony, Graham E. and Kelly, Padraig and Lawrence, Simon E. and Maguire, Anita R. (2011) 'Synthesis of enantioenriched sulfoxides'. Arkivoc, :1-110 [CORA Link] [Details]
(2011)'Solid-state characterization of novel active pharmaceutical ingredients: Cocrystal of a salbutamol hemiadipate salt with adipic acid (2:1:1) and salbutamol hemisuccinate salt'
Paluch,Krzysztof J.,Tajber,Lidia,Elcoate,Curtis J.,Corrigan,Owen I.,Lawrence,Simon E.,Healy,Anne Marie. (2011) 'Solid-state characterization of novel active pharmaceutical ingredients: Cocrystal of a salbutamol hemiadipate salt with adipic acid (2:1:1) and salbutamol hemisuccinate salt'. Journal of Pharmaceutical Sciences, 100 (8):3268-3283 [CORA Link] [Details]
(2011)'Addition-substitution reactions of 2-thio-3-chloroacrylamides with carbon, nitrogen, oxygen, sulfur and selenium nucleophiles'
Kissane, M. and Murphy, M. and O'Brien, E. and Chopra, J. and Murphy, L. and Collins, S. G. and Lawrence, S. E. and Maguire, A. R.; (2011) 'Addition-substitution reactions of 2-thio-3-chloroacrylamides with carbon, nitrogen, oxygen, sulfur and selenium nucleophiles'. Organic and Biomolecular Chemistry, 9 :2452-2472 [CORA Link] [Details]
(2011)'Synthesis and NMR Binding Studies towards Rational Design of a Series of Electron-Withdrawing Diamide Receptors/Organocatalysts'
Kinsella,Michael,Duggan,Patrick G.,Muldoon,Jimmy,Eccles,Kevin S.,Lawrence,Simon E.,Lennon,Claire M. (2011) 'Synthesis and NMR Binding Studies towards Rational Design of a Series of Electron-Withdrawing Diamide Receptors/Organocatalysts'. European Journal of Organic Chemistry, (6):1125-1132 [Details]
(2011)'A practical chemo-enzymatic approach to highly enantio-enriched cyanohydrin acetates'
Maguire, Nuala M.; Ford, Alan; Clarke, Sarah L.; Eccles, Kevin S.; Lawrence, Simon E.; Brossat, Maude; Moody, Thomas S.; Maguire, Anita R. (2011) 'A practical chemo-enzymatic approach to highly enantio-enriched cyanohydrin acetates'. Tetrahedron: Asymmetry, 22 (24):2144-2150 [DOI] [Details]
(2010)'Convenient and robust one-pot synthesis of symmetrical and unsymmetrical benzyl thioethers from benzyl halides using thiourea'
Eccles, KS,Elcoate, CJ,Lawrence, SE,Maguire, AR; (2010) 'Convenient and robust one-pot synthesis of symmetrical and unsymmetrical benzyl thioethers from benzyl halides using thiourea'. Arkivoc, ((ix)):216-228 [CORA Link] [Details]
(2010)'Does intermolecular S=O···H-C-S=O hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?'
Brondel, Nicolas; Moynihan, Eamonn JA; Lehane, Niamh K; Eccles, Kevin S; Curtis JC; Lawrence, SE; Maguire, AR; (2010) 'Does intermolecular S=O···H-C-S=O hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?'. CrystEngComm, 12 (10):2910-2927 [Details]
(2010)'Highly Enantioselective Intramolecular Copper Catalyzed C-H Insertion Reactions of α-Diazosulfones'
Flymm. CJ; Elcoate, CJ; Lawrence, SE; Maguire, AR; (2010) 'Highly Enantioselective Intramolecular Copper Catalyzed C-H Insertion Reactions of α-Diazosulfones'. Journal of The American Chemical Society, 132 (4):1184-1185 [Details]
(2010)'Sulfoxides: Potent Co-Crystal Formers'
Eccles, Kevin S.,Elcoate, Curtis J.,Stokes, Stephen P.,Maguire, Anita R.,Lawrence, Simon E.; (2010) 'Sulfoxides: Potent Co-Crystal Formers'. Crystal Growth & Design, 10 (10):4243-4245 [CORA Link] [Details]
(2010)'Mimics of a R_2_^2^(8) Hydrogen-Bond Dimer Motif: Synthesis and Influence on the Crystallisation of Sulfathiazole and Sulfapyridine'
Lawrence, SE; McAuliffe, MT; Moynihan HA; (2010) 'Mimics of a R_2_^2^(8) Hydrogen-Bond Dimer Motif: Synthesis and Influence on the Crystallisation of Sulfathiazole and Sulfapyridine'. European Journal of Organic Chemistry, 6 :1134-1141 [Details]
(2010)'1,3-Dipolar cycloadditions of 2-thio-3-chloroacrylamides with nitrile oxides and nitrones'
Kissane, Marie; Lawrence, Simon E; Maguire, Anita R (2010) '1,3-Dipolar cycloadditions of 2-thio-3-chloroacrylamides with nitrile oxides and nitrones'. Tetrahedron, 66 :4564-4572 [DOI] [CORA Link] [Details]
(2010)'Crystal Polymorphs and Transformations of 2-Iodo-4-nitroaniline'
Kelly, Dawn M.,Eccles, Kevin S.,Elcoate, Curtis J.,Lawrence, Simon E.,Moynihan, Humphrey A.; (2010) 'Crystal Polymorphs and Transformations of 2-Iodo-4-nitroaniline'. Crystal Growth and Design, 10 (10):4303-4309 [Details]
(2010)'Synthesis of 3-halo-analogues of HHQ, subsequent cross-coupling and first crystal structure of Pseudomonas quinolone signal (PQS)'
McGlacken, Gerard P; McSweeney, Christina M; O'Brien, Timothy; Lawrence, Simon E; Elcoate, Curtis J; Reen, Jerry F; O'Gara, Fergal; (2010) 'Synthesis of 3-halo-analogues of HHQ, subsequent cross-coupling and first crystal structure of Pseudomonas quinolone signal (PQS)'. Tetrahedron Letters, 51 (45):5919-5921 [Details]
(2010)'Diastereoselective sulfur oxidation of 2-thio-3-chloroacrylamides'
Kissane, Marie; Lawrence, Simon E; Maguire, Anita R (2010) 'Diastereoselective sulfur oxidation of 2-thio-3-chloroacrylamides'. Tetrahedron: Asymmetry, 21 :871-884 [CORA Link] [Details]
(2010)'1,3-Dipolar cycloadditions of 2-thio-3-chloroacrylamides with diazoalkanes'
Kissane, Marie; Lawrence, Simon E; Maguire, Anita R; (2010) '1,3-Dipolar cycloadditions of 2-thio-3-chloroacrylamides with diazoalkanes'. Organic and Biomolecular Chemistry, 8 (1212):2735-2748 [CORA Link] [Details]
(2010)'Efficient kinetic bioresolution of 2-nitrocyclohexanol'
Milner, Sinead E; Brossat, Maude; Moody, Thomas S; Elcoate, Curtis J; Lawrence, Simon E; Maguire, Anita R; (2010) 'Efficient kinetic bioresolution of 2-nitrocyclohexanol'. Tetrahedron: Asymmetry, 21 (88):1011-1016 [Details]
(2010)'Synthesis and stereoselective oxidation of alpha-thio-beta-chloropropenyloxazolidin-2-ones'
Kissane, M,Murphy, M,Lawrence, SE,Maguire, AR; (2010) 'Synthesis and stereoselective oxidation of alpha-thio-beta-chloropropenyloxazolidin-2-ones'. Tetrahedron: Asymmetry, 21 :2550-2558 [DOI] [CORA Link] [Details]
(2010)'The influence of reaction conditions on the Diels-Alder cycloadditions of 2-thio-3-chloroacrylamides; investigation of thermal, catalytic and microwave conditions'
Kissane, Marie; Lynch, Denis; Chopra, Jay; Lawrence, Simon E; Maguire, Anita R; (2010) 'The influence of reaction conditions on the Diels-Alder cycloadditions of 2-thio-3-chloroacrylamides; investigation of thermal, catalytic and microwave conditions'. Organic and Biomolecular Chemistry, 8 (24):5602-5613 [DOI] [CORA Link] [Details]
(2009)'Synthesis of aryl benzyl NH-sulfoximines'
Barry, N; Brondel, N; Lawrence, SE; Maguire AR; (2009) 'Synthesis of aryl benzyl NH-sulfoximines'. Tetrahedron, 65 (51):10660-10670 [Details]
(2008)'Coaxial metal and magnetic alloy nanotubes in polycarbonate templates by electroless deposition'
J.F. Rohan, D.P. Casey, B.M. Ahern, F.M.F. Rhen, S.Roy, D. Fleming & S.E. Lawrence; (2008) 'Coaxial metal and magnetic alloy nanotubes in polycarbonate templates by electroless deposition'. Electrochemistry Communications, 10 :1419-1422 [Details]
(2008)'Effect of 1-deoxy-D-lactose upon the crystallization of D-lactose'
K.P. Guiry, S.J. Coles, H.A. Moynihan, & S.E. Lawrence; (2008) 'Effect of 1-deoxy-D-lactose upon the crystallization of D-lactose'. Cryst. Growth Des, 8 (11):3927-3934 [DOI] [CORA Link] [Details]
(2008)'Investigation of the chemoselective and enantioselective oxidation of alpha-thio-beta-chloroacrylamides'
M. Kissane, D. Lynch, J. Chopra, S.E. Lawrence, A.R. Maguire; (2008) 'Investigation of the chemoselective and enantioselective oxidation of alpha-thio-beta-chloroacrylamides'. Tetrahedron: Asymmetry, 19 (10):1256-1273 [DOI] [CORA Link] [Details]
(2007)'Chemoselectivity and enantioselectivity in copper catalysed oxidation of aryl benzyl sulfides'
P. Kelly, S.E. Lawrence and A.R. Maguir; (2007) 'Chemoselectivity and enantioselectivity in copper catalysed oxidation of aryl benzyl sulfides'. Synlett, 10 :1501-1506 [Details]
(2007)'Impact of sulfur substituents on the C-H...O interaction of terminal alkynes in crystal engineering'
K.N. Lehane, E.J.A. Moynihan, N. Brondel, S.E. Lawrence and A.R. Maguire; (2007) 'Impact of sulfur substituents on the C-H...O interaction of terminal alkynes in crystal engineering'. CrystEngComm, 9 (11):1041-1050 [Details]
(2007)'Monomeric and polymeric derivatives of 5-aminoisophthalic acid as selective inhibitors of the beta-polymorph of L-glutamic acid'
J.M. Kelleher, S.E. Lawrence, M.T. McAuliffe and H.A. Moynihan; (2007) 'Monomeric and polymeric derivatives of 5-aminoisophthalic acid as selective inhibitors of the beta-polymorph of L-glutamic acid'. CrystEngComm, 9 (1):72-77 [Details]
(2007)'Crystal polymorphism of pharmaceuticals: probing crystal nucleation at the molecular level'
K.P. Guiry, J.M. Kelleher, S.E. Lawrence, M.T. McAuliffe, H.A. Moynihan and A.L. Ryan; (2007) 'Crystal polymorphism of pharmaceuticals: probing crystal nucleation at the molecular level'. J. Enz. Inhib. Med. Chem, 22 (5):550-555 [Details]
(2007)'Synthetic and X-ray diffraction studies of borosiloxane cages R′Si(ORBO)_3_SiR′] and the adducts of [Bu^t^Si{O(PhB)O}_3_SiBu^t^] with pyridine or N,N,N′,N′-tetramethylethylenediamine'
G. Ferguson, S.E. Lawrence, L.A. Neville, B.J. O'Leary and T. R. Spalding; (2007) 'Synthetic and X-ray diffraction studies of borosiloxane cages R′Si(ORBO)_3_SiR′] and the adducts of [Bu^t^Si{O(PhB)O}_3_SiBu^t^] with pyridine or N,N,N′,N′-tetramethylethylenediamine'. Polyhedron, 26 (12):2482-2492 [Details]
(2006)'Kinetic resolution in vanadium-catalysed sulfur oxidation as an efficient route to enantiopure aryl benzyl sulfoxides'
P. Kelly, S.E. Lawrence and A.R. Maguire; (2006) 'Kinetic resolution in vanadium-catalysed sulfur oxidation as an efficient route to enantiopure aryl benzyl sulfoxides'. Synlett, 10 :1569-1573 [Details]
(2006)'Asymmetric synthesis of aryl benzyl sulfoxides by vanadium-catalysed oxidation: a combination of enantioselective sulfide oxidation and kinetic resolution in sulfoxide oxidation'
P. Kelly, S.E. Lawrence and A.R. Maguire; (2006) 'Asymmetric synthesis of aryl benzyl sulfoxides by vanadium-catalysed oxidation: a combination of enantioselective sulfide oxidation and kinetic resolution in sulfoxide oxidation'. Eur. J. Org. Chem, 19 :4500-4509 [Details]
(2006)'Effect of the steric demand and hydrogen-bonding capability of additives on the crystal polymorphism of sulfathiazole'
J.M. Kelleher, S.E. Lawrence and H.A. Moynihan; (2006) 'Effect of the steric demand and hydrogen-bonding capability of additives on the crystal polymorphism of sulfathiazole'. CrystEngComm, 8 (4):327-332 [Details]
(2004)'Structural control of mesoporous silica nanowire arrays in porous alumina membranes'
B. Yao, D. Fleming, S.E. Lawrence and M.A. Morris; (2004) 'Structural control of mesoporous silica nanowire arrays in porous alumina membranes'. Chem. Mater, 16 (24):4851-4855 [Details]
(2002)'4-bromophenylboronate derivatives of ring and cage borosilicates'
A.G. Avent, S.E. Lawrence, M.M. Meehan, T.G. Russell & T.R. Spalding; (2002) '4-bromophenylboronate derivatives of ring and cage borosilicates'. Collect. Czech. Chem. C, 67 (7):1051-1060 [Details]
(2002)'Synthesis, crystal and molecular structures of three triphenylsilanol amine adducts'
A.E. Goeta, S.E. Lawrence, M.M. Meehan, A. O¿Dowd and T.R. Spalding; (2002) 'Synthesis, crystal and molecular structures of three triphenylsilanol amine adducts'. Polyhedron, 21 (17):1689-1694 [Details]
(2001)'Dichloro-trans-bis[tris(2-cyanoethyl)phosphine]-palladium(II)'
S.E. Lawrence, M. Kelly, O.M. Ni Dhubhghaill; (2001) 'Dichloro-trans-bis[tris(2-cyanoethyl)phosphine]-palladium(II)'. Acta Cryst, E57 (7):m272-m273 [Details]
(2001)'4-Ethynyl-1,2-methylenedioxybenzene at 150 K'
S.E. Lawrence, A.J. Blake, A.R. Maguire & E.J.A. Moynihan; (2001) '4-Ethynyl-1,2-methylenedioxybenzene at 150 K'. Acta Cryst, C57 (4):412-413 [Details]
(2001)'Dynamic equilibria in the products of intramiolecular Buchner additions of diazoketones to aryl rings bearing methoxy substituents'
A.R. Maguire, P. O¿Leary, F. Harrington, S.E. Lawrence & A.J. Blake; (2001) 'Dynamic equilibria in the products of intramiolecular Buchner additions of diazoketones to aryl rings bearing methoxy substituents'. J Org. Chem, 66 (21):7166-7177 [Details]
(1999)'Synthesis and structure verification of an analog of kuanoniamine A'
M.A. Lyon, S. Lawrence, D.J. Williams, & Y.A. Jackson; (1999) 'Synthesis and structure verification of an analog of kuanoniamine A'. J. Chem. Soc., Perkin Trans. 1, :437-442 [Details]
(1999)'Domino reaction between 2-acylfurans and diethyl azodicarboxylate: a combined experimental, theoretical, X-ray and dynamic NMR study'
M.E. Gonzalez-Rosende, J. Sepulveda-Arques, E. Zaballos-Garcia, L.R. Domingo, R.J. Zaragoza, W.B. Jennings, S.E. Lawrence, D. O'Leary; (1999) 'Domino reaction between 2-acylfurans and diethyl azodicarboxylate: a combined experimental, theoretical, X-ray and dynamic NMR study'. J. Chem. Soc., Perkin Trans. 2, (1):73-80 [Details]
(1999)'Lewis acid mediated elimination and rearrangement reactions of alpha-chlorosulfides derived from benzenethio-substituted 4,5-dihydro-3 (2H)-furanones'
D.G. McCarthy, C.C. Collins, J.P. O'Driscoll and S.E. Lawrence; (1999) 'Lewis acid mediated elimination and rearrangement reactions of alpha-chlorosulfides derived from benzenethio-substituted 4,5-dihydro-3 (2H)-furanones'. J. Chem. Soc., Perkin Trans. 1, (24):3667-3675 [Details]
(1998)'Synthesis and characterisation of chelating polycarboxylate ligands capable of forming intermolecular, complementary triple hydrogen bonds'
S. Ulvenlund, A.S. Georgopoulou, D.M.P. Mingos, I. Baxter, S.E. Lawrence, A.J.P. White, D.J. Williams; (1998) 'Synthesis and characterisation of chelating polycarboxylate ligands capable of forming intermolecular, complementary triple hydrogen bonds'. J. Chem. Soc., Dalton Trans, (11):1869-1878 [Details]
(1998)'Orthopalladated triaryl phosphite complexes as highly active catalysts in biaryl coupling reactions'
D.A. Albisson, R.B. Bedford, S.E. Lawrence, P.N. Scully; (1998) 'Orthopalladated triaryl phosphite complexes as highly active catalysts in biaryl coupling reactions'. Chem. Commun, (19):2095-2096 [Details]
(1998)'Rhodium catalysed decomposition of alpha-diazosulfoxides: formation of alpha-oxo sulfines as intermediates'
A.R. Maguire, P.G. Kelleher, S.E. Lawrence; (1998) 'Rhodium catalysed decomposition of alpha-diazosulfoxides: formation of alpha-oxo sulfines as intermediates'. Tetrahedron Letters, 39 (22):3849-3852 [Details]
(1997)'Synthesis and characterisation of three Group 10 metal dithiadiazolyl complexes'
A.J. Banister, I.B. Gorrell, J.A.K. Howard, S.E. Lawrence, C.W. Lehman, I. May, J.M. Rawson, B.K. Tanner, C.I. Gregory, A.J. Blake, S.P. Fricker; (1997) 'Synthesis and characterisation of three Group 10 metal dithiadiazolyl complexes'. J. Chem. Soc., Dalton Trans, 3 :377-384 [Details]
(1997)'Synthesis and structural characterisation of tetranuclear palladium-cobalt clusters'
R. Vilar, S.E. Lawrence, S. Menzer, D.M.P. Mingos, D.J. Williams; (1997) 'Synthesis and structural characterisation of tetranuclear palladium-cobalt clusters'. J. Chem. Soc., Dalton Trans, (18):3305-3309 [Details]
(1997)'Platinum(II) phosphine complexes of dicarboxylates and ammonia: Crystal structures of [{Pt(PPh3)2}2{-1,3-(O2C)2C6H4}2], [{Pt(PPh3)2-(NH3)}2{-1,4-(O2C)2C6H4}][PF6]2 and cis-[Pt(PPh3)2(NH3)2][NO3]2, A.D. Burrows, D.M.P. Mingos'
S.E. Lawrence, A.J.P. White, D.J. Williams; (1997) 'Platinum(II) phosphine complexes of dicarboxylates and ammonia: Crystal structures of [{Pt(PPh3)2}2{-1,3-(O2C)2C6H4}2], [{Pt(PPh3)2-(NH3)}2{-1,4-(O2C)2C6H4}][PF6]2 and cis-[Pt(PPh3)2(NH3)2][NO3]2, A.D. Burrows, D.M.P. Mingos'. J. Chem. Soc., Dalton Trans, 8 :1295-1300 [Details]
(1997)'Synthesis and structural characterisation of silver(I) compounds with nitrogen ligands'
E.C. Plappert, D.M.P. Mingos, S.E. Lawrence, D.J. Williams; (1997) 'Synthesis and structural characterisation of silver(I) compounds with nitrogen ligands'. J. Chem. Soc., Dalton Trans, (12):2119-2123 [Details]
(1997)'Hydrogen-bonded complexes of aromatic crown ethers with (9 anthracenyl)methylammonium derivatives. Supramolecular photochemistry and photophysics. pH-controllable supramolecular switching'
P.R. Ashton, R. Ballardini, V. Balzani, M. Gomez-Lopez, S.E. Lawrence, M.V. Martinez Diaz, M. Montalti, A. Piersanti, L. Prodi, J.F. Stoddart, D.J. Williams; (1997) 'Hydrogen-bonded complexes of aromatic crown ethers with (9 anthracenyl)methylammonium derivatives. Supramolecular photochemistry and photophysics. pH-controllable supramolecular switching'. J. Am. Chem. Soc, 119 (44):10641-10651 [Details]
(1997)'A cluster model for the catalytic hydrogenation of CFCs and the synthesis and structural characterisation (when X=Br) of [Pd-4(µ3-CF)(µ-X)3(PtBu3)4] (X=Cl,Br)'
R. Vilar, S.E. Lawrence, D.M.P. Mingos & D.J. Williams, Chem. Commun.; (1997) 'A cluster model for the catalytic hydrogenation of CFCs and the synthesis and structural characterisation (when X=Br) of [Pd-4(µ3-CF)(µ-X)3(PtBu3)4] (X=Cl,Br)'. Chem. Commun, 3 :285-286 [Details]
(1996)'Reaction of [SNS][AsF6] with Hg(CN)2 and PhHgCN: preparation and crystal structures of [Hg(CNSNS)2][AsF6]2 and [PhS4N3Ph][AsF6]'
C.M. Aherne, A.J. Banister, I. Lavender, S.E. Lawrence, J.M. Rawson, W. Clegg; (1996) 'Reaction of [SNS][AsF6] with Hg(CN)2 and PhHgCN: preparation and crystal structures of [Hg(CNSNS)2][AsF6]2 and [PhS4N3Ph][AsF6]'. Polyhedron, 15 (11):1877-1886 [Details]
(1995)'Sn-119 NMR shielding anisotropy and molecular structure'
R.K. Harris, S.E. Lawrence, S.W. Oh, V.G.K. Das; (1995) 'Sn-119 NMR shielding anisotropy and molecular structure'. Journal of Molecular Structure, 347 :309-319 [Details]
(1994)'The preparation and X-ray crystal structure of the first metal-1,3,2,4-dithiadiazolylium salt, [Hg(CNSNS)2][AsF6]2, a transfer agent for the dithiadiazolylium ring'
A.J. Banister, Lavender, S.E. Lawrence, J.M. Rawson, W. Clegg; (1994) 'The preparation and X-ray crystal structure of the first metal-1,3,2,4-dithiadiazolylium salt, [Hg(CNSNS)2][AsF6]2, a transfer agent for the dithiadiazolylium ring'. J. Chem. Soc. Chem. Commun, 1 :29-30 [Details]
(1994)'Novel bonding modes in metallo-dithiadiazolyl complexes - preparation and crystal structures of [Pt(SNCPhNS-S,S)(PPh3)2].MeCN and [Pt3µ-SNCPhNS-S,S)2(PPh3)4].2PhMe'
A.J. Banister, I.B. Gorrell, S.E. Lawrence, C.W. Lehmann, I. May, G. Tate, A.J. Blake, J.M. Rawson; (1994) 'Novel bonding modes in metallo-dithiadiazolyl complexes - preparation and crystal structures of [Pt(SNCPhNS-S,S)(PPh3)2].MeCN and [Pt3µ-SNCPhNS-S,S)2(PPh3)4].2PhMe'. J. Chem. Soc. Chem. Commun, 15 :1779-1780 [Details]
(1994)'A new-type of dithiadiazolylium salt - [pCl.C6H4.CNSSN]6Cl2'
A.J. Banister, J.A.K. Howard, S.E. Lawrence; (1994) 'A new-type of dithiadiazolylium salt - [pCl.C6H4.CNSSN]6Cl2'. Phosphor. Sulfur Silicon, 93 :437-438 [Details]

Professional Activities

Professional Associations

 AssociationFunctionFrom / To
Irish Crystallographic Association Secretary/
Society of Chemical Industry Member and Committee Member of Republic of Ireland Section/
American Chemical Society Member/
Royal Society of Chemistry Member/
British Crystallographic Association Member/
British Assocation of Crystal Growth Member/

Employment

 EmployerPositionFrom / To
University College Cork Lecturer01-JAN-96 / 31-AUG-99
Dept. of Chemistry, University College Cork Lecturer01-SEP-99 /
Imperial College, UK PDRA01-JAN-95 / 01-JAN-96
UMIST, UK PDRA01-JAN-94 / 01-JAN-95

Education

 YearInstitutionQualificationSubject
1991University of Durham BSc HonsChemistry
2014UCC Postgrad Cert. in Teaching & Learning in HETeaching & Learning
1994University of Durham PhDChemistry

Research Information

Internal Collaborators

 NameInstituteCountry
Prof. Anita Maguire Chemistry & Pharmacy, UCCIRELAND
Dr Humphrey Moynihan Chemistry, UCCIRELAND
Gerard McGlacken Chemistry, UCCIRELAND
Dr Daniel McCarthy Chemistry, UCCIRELAND
Dr Ni Dhubhghaill Chemistry, UCCIRELAND

External Collaborators

 NameOrganisation / InstituteCountry
Dr Colin Seaton University of BradfieldUNITED KINGDOM
Partners in COST Action CM1402
Dr Lidia Tajber Trinity College DublinIRELAND
Industry partners in SSPC co-crystal project
Dr Denise Croker University of LimerickIRELAND
Dr Kieran Hodnett University of LimerickIRELAND
Prof. Ake Rasmuson University of LimerickIRELAND

Contact details

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School of Chemistry

Adjoining Main Campus, University College Cork, College Rd, Cork, Ireland

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