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A versatile nanoreactor for complementary in situ X-ray and electron microscopy studies in catalysis and materials science.

Fam Y, Sheppard TL, Becher J, Scherhaufer D, Lambach H, Kulkarni S, Keller TF, Wittstock A, Wittwer F, Seyrich M, Brueckner D, Kahnt M, Yang X, Schropp A, Stierle A, Schroer CG, Grunwaldt JD.

J Synchrotron Radiat. 2019 Sep 1;26(Pt 5):1769-1781. doi: 10.1107/S160057751900660X. Epub 2019 Aug 27.


Synthesis and characterisation of hierarchically structured titanium silicalite-1 zeolites with large intracrystalline macropores.

Weissenberger T, Leonhardt R, Apeleo Zubiri B, Pitínová-Štekrová M, Sheppard TL, Reiprich B, Bauer J, Dotzel R, Kahnt M, Schropp A, Schroer CG, Grunwaldt JD, Casci J, Čejka J, Spiecker E, Schwieger W.

Chemistry. 2019 Sep 3. doi: 10.1002/chem.201903287. [Epub ahead of print]


Gold-Catalyzed Hydroamination of Propargylic Alcohols: Controlling Divergent Catalytic Reaction Pathways To Access 1,3-Amino Alcohols, 3-Hydroxyketones, or 3-Aminoketones.

Laserna V, Porter MJ, Sheppard TD.

J Org Chem. 2019 Aug 28. doi: 10.1021/acs.joc.9b00988. [Epub ahead of print]


Supported intermetallic PdZn nanoparticles as bifunctional catalysts for the direct synthesis of dimethyl ether from CO-rich synthesis gas.

Gentzen M, Doronkin DE, Sheppard TL, Zimina A, Li H, Jelic J, Studt F, Grunwaldt JD, Sauer J, Behrens S.

Angew Chem Int Ed Engl. 2019 Aug 8. doi: 10.1002/anie.201906256. [Epub ahead of print]


Catalytic direct amidations in tert-butyl acetate using B(OCH2CF3)3.

Coomber CE, Laserna V, Martin LT, Smith PD, Hailes HC, Porter MJ, Sheppard TD.

Org Biomol Chem. 2019 Jul 14;17(26):6465-6469. doi: 10.1039/c9ob01012b. Epub 2019 Jun 21.


Gold-Catalyzed Hydrophenoxylation of Propargylic Alcohols and Amines: Synthesis of Phenyl Enol Ethers.

Laserna V, Jeapes Rojas C, Sheppard TD.

Org Lett. 2019 Jun 21;21(12):4443-4447. doi: 10.1021/acs.orglett.9b01208. Epub 2019 Jun 3.


Multinational comparison of new antidepressant use in older adults: a cohort study.

Tamblyn R, Bates DW, Buckeridge DL, Dixon W, Forster AJ, Girard N, Haas J, Habib B, Kurteva S, Li J, Sheppard T.

BMJ Open. 2019 May 14;9(5):e027663. doi: 10.1136/bmjopen-2018-027663.


Aminopolyols from Carbohydrates: Amination of Sugars and Sugar-Derived Tetrahydrofurans with Transaminases.

Subrizi F, Benhamou L, Ward JM, Sheppard TD, Hailes HC.

Angew Chem Int Ed Engl. 2019 Mar 18;58(12):3854-3858. doi: 10.1002/anie.201813712. Epub 2019 Feb 14.


Data on a thermostable enzymatic one-pot reaction for the production of a high-value compound from l-arabinose.

Bawn M, Subrizi F, Lye GJ, Sheppard TD, Hailes HC, Ward JM.

Data Brief. 2018 May 31;19:1341-1354. doi: 10.1016/j.dib.2018.05.140. eCollection 2018 Aug.


Dihalohydration of Alkynols: A Versatile Approach to Diverse Halogenated Molecules.

Gibson SM, D'Oyley JM, Higham JI, Sanders K, Laserna V, Aliev AE, Sheppard TD.

European J Org Chem. 2018 Aug 7;2018(29):4018-4028. doi: 10.1002/ejoc.201800668. Epub 2018 Jul 18.


Correlative Multiscale 3D Imaging of a Hierarchical Nanoporous Gold Catalyst by Electron, Ion and X-ray Nanotomography.

Fam Y, Sheppard TL, Diaz A, Scherer T, Holler M, Wang W, Wang D, Brenner P, Wittstock A, Grunwaldt JD.

ChemCatChem. 2018 Jul 9;10(13):2858-2867. doi: 10.1002/cctc.201800230. Epub 2018 May 7.


Identification by virtual screening and functional characterisation of novel positive and negative allosteric modulators of the α7 nicotinic acetylcholine receptor.

Smelt CLC, Sanders VR, Newcombe J, Burt RP, Sheppard TD, Topf M, Millar NS.

Neuropharmacology. 2018 Sep 1;139:194-204. doi: 10.1016/j.neuropharm.2018.07.009. Epub 2018 Jul 20.


One-pot, two-step transaminase and transketolase synthesis of l-gluco-heptulose from l-arabinose.

Bawn M, Subrizi F, Lye GJ, Sheppard TD, Hailes HC, Ward JM.

Enzyme Microb Technol. 2018 Sep;116:16-22. doi: 10.1016/j.enzmictec.2018.05.006. Epub 2018 May 15.


An Accessible Method for DFT Calculation of 11B NMR Shifts of Organoboron Compounds.

Rzepa HS, Arkhipenko S, Wan E, Sabatini MT, Karaluka V, Whiting A, Sheppard TD.

J Org Chem. 2018 Aug 3;83(15):8020-8025. doi: 10.1021/acs.joc.8b00859. Epub 2018 Jul 11.


Updated regulation curation model at the Saccharomyces Genome Database.

Engel SR, Skrzypek MS, Hellerstedt ST, Wong ED, Nash RS, Weng S, Binkley G, Sheppard TK, Karra K, Cherry JM.

Database (Oxford). 2018 Jan 1;2018. doi: 10.1093/database/bay007.


Mechanistic insights into boron-catalysed direct amidation reactions.

Arkhipenko S, Sabatini MT, Batsanov AS, Karaluka V, Sheppard TD, Rzepa HS, Whiting A.

Chem Sci. 2018 Jan 2;9(4):1058-1072. doi: 10.1039/c7sc03595k. eCollection 2018 Jan 28.


Assumptions made when preparing drug exposure data for analysis have an impact on results: An unreported step in pharmacoepidemiology studies.

Pye SR, Sheppard T, Joseph RM, Lunt M, Girard N, Haas JS, Bates DW, Buckeridge DL, van Staa TP, Tamblyn R, Dixon WG.

Pharmacoepidemiol Drug Saf. 2018 Jul;27(7):781-788. doi: 10.1002/pds.4440. Epub 2018 Apr 17.


Protecting-Group-Free Amidation of Amino Acids using Lewis Acid Catalysts.

Sabatini MT, Karaluka V, Lanigan RM, Boulton LT, Badland M, Sheppard TD.

Chemistry. 2018 May 11;24(27):7033-7043. doi: 10.1002/chem.201800372. Epub 2018 Apr 30.


Silver-Free Palladium-Catalyzed C(sp3)-H Arylation of Saturated Bicyclic Amine Scaffolds.

Coomber CE, Benhamou L, Bučar DK, Smith PD, Porter MJ, Sheppard TD.

J Org Chem. 2018 Mar 2;83(5):2495-2503. doi: 10.1021/acs.joc.7b02665. Epub 2017 Dec 19.


Diversity of Nicotinic Acetylcholine Receptor Positive Allosteric Modulators Revealed by Mutagenesis and a Revised Structural Model.

Newcombe J, Chatzidaki A, Sheppard TD, Topf M, Millar NS.

Mol Pharmacol. 2018 Feb;93(2):128-140. doi: 10.1124/mol.117.110551. Epub 2017 Dec 1.


Saccharomyces genome database informs human biology.

Skrzypek MS, Nash RS, Wong ED, MacPherson KA, Hellerstedt ST, Engel SR, Karra K, Weng S, Sheppard TK, Binkley G, Simison M, Miyasato SR, Cherry JM.

Nucleic Acids Res. 2018 Jan 4;46(D1):D736-D742. doi: 10.1093/nar/gkx1112.


Borate esters: Simple catalysts for the sustainable synthesis of complex amides.

Sabatini MT, Boulton LT, Sheppard TD.

Sci Adv. 2017 Sep 22;3(9):e1701028. doi: 10.1126/sciadv.1701028. eCollection 2017 Sep.


Antibacterials: PUMmeling RNAP.

Sheppard TL.

Nat Chem Biol. 2017 Jul 18;13(8):817. doi: 10.1038/nchembio.2446. No abstract available.


Bacterial immunity: A virtuous CRISPR cycle.

Sheppard TL.

Nat Chem Biol. 2017 Aug 18;13(9):923. doi: 10.1038/nchembio.2468. No abstract available.


A comparison of methods for estimating the temporal change in a continuous variable: Example of HbA1c in patients with diabetes.

Sheppard T, Tamblyn R, Abrahamowicz M, Lunt M, Sperrin M, Dixon WG.

Pharmacoepidemiol Drug Saf. 2017 Dec;26(12):1474-1482. doi: 10.1002/pds.4273. Epub 2017 Aug 15.


An integrated biorefinery concept for conversion of sugar beet pulp into value-added chemicals and pharmaceutical intermediates.

Cárdenas-Fernández M, Bawn M, Hamley-Bennett C, Bharat PKV, Subrizi F, Suhaili N, Ward DP, Bourdin S, Dalby PA, Hailes HC, Hewitson P, Ignatova S, Kontoravdi C, Leak DJ, Shah N, Sheppard TD, Ward JM, Lye GJ.

Faraday Discuss. 2017 Sep 21;202:415-431. doi: 10.1039/c7fd00094d.


Development and Application of Synthetic Affinity Ligands for the Purification of Ferritin-Based Influenza Antigens.

Jacob SI, Khogeer B, Bampos N, Sheppard T, Schwartz R, Lowe CR.

Bioconjug Chem. 2017 Jul 19;28(7):1931-1943. doi: 10.1021/acs.bioconjchem.7b00253. Epub 2017 Jun 21.


In Situ Multimodal 3D Chemical Imaging of a Hierarchically Structured Core@Shell Catalyst.

Sheppard TL, Price SWT, Benzi F, Baier S, Klumpp M, Dittmeyer R, Schwieger W, Grunwaldt JD.

J Am Chem Soc. 2017 Jun 14;139(23):7855-7863. doi: 10.1021/jacs.7b02177. Epub 2017 May 26.


Stability of a Bifunctional Cu-Based Core@Zeolite Shell Catalyst for Dimethyl Ether Synthesis Under Redox Conditions Studied by Environmental Transmission Electron Microscopy and In Situ X-Ray Ptychography.

Baier S, Damsgaard CD, Klumpp M, Reinhardt J, Sheppard T, Balogh Z, Kasama T, Benzi F, Wagner JB, Schwieger W, Schroer CG, Grunwaldt JD.

Microsc Microanal. 2017 Jun;23(3):501-512. doi: 10.1017/S1431927617000332. Epub 2017 Apr 5.


Long non-coding RNAs: Pulsating RNA motifs.

Sheppard TL.

Nat Chem Biol. 2016 Oct 18;12(11):889. doi: 10.1038/nchembio.2223. No abstract available.


Synthesis of substituted benzooxaborinin-1-ols via palladium-catalysed cyclisation of alkenyl- and alkynyl-boronic acids.

Benhamou L, Walker DW, Bučar DK, Aliev AE, Sheppard TD.

Org Biomol Chem. 2016 Sep 14;14(34):8039-43. doi: 10.1039/c6ob01419d. Epub 2016 Aug 10.


Direct amidation of unprotected amino acids using B(OCH2CF3)3.

Lanigan RM, Karaluka V, Sabatini MT, Starkov P, Badland M, Boulton L, Sheppard TD.

Chem Commun (Camb). 2016 Jul 7;52(57):8846-9. doi: 10.1039/c6cc05147b.


Integration of new alternative reference strain genome sequences into the Saccharomyces genome database.

Song G, Balakrishnan R, Binkley G, Costanzo MC, Dalusag K, Demeter J, Engel S, Hellerstedt ST, Karra K, Hitz BC, Nash RS, Paskov K, Sheppard T, Skrzypek M, Weng S, Wong E, Michael Cherry J.

Database (Oxford). 2016 Jun 1;2016. pii: baw074. doi: 10.1093/database/baw074. Print 2016.


Pharmacosurveillance without borders: electronic health records in different countries can be used to address important methodological issues in estimating the risk of adverse events.

Tamblyn R, Girard N, Dixon WG, Haas J, Bates DW, Sheppard T, Eguale T, Buckeridge D, Abrahamowicz M, Forster A.

J Clin Epidemiol. 2016 Sep;77:101-111. doi: 10.1016/j.jclinepi.2016.03.033. Epub 2016 May 20.


Gene expression: Means to an end.

Sheppard TL.

Nat Chem Biol. 2016 May 18;12(6):387. doi: 10.1038/nchembio.2093. No abstract available.


Intercepting the Gold-Catalysed Meyer-Schuster Rearrangement by Controlled Protodemetallation: A Regioselective Hydration of Propargylic Alcohols.

Pennell MN, Kyle MP, Gibson SM, Male L, Turner PG, Grainger RS, Sheppard TD.

Adv Synth Catal. 2016 Apr 28;358(9):1519-1525. doi: 10.1002/adsc.201600101. Epub 2016 Apr 27.


Improved Efficiency for Partial Oxidation of Methane by Controlled Copper Deposition on Surface-Modified ZSM-5.

Sheppard T, Daly H, Goguet A, Thompson JM.

ChemCatChem. 2016 Feb;8(3):562-570. Epub 2015 Dec 4.


Modelling and extraction of variability in free-text medication prescriptions from an anonymised primary care electronic medical record research database.

Karystianis G, Sheppard T, Dixon WG, Nenadic G.

BMC Med Inform Decis Mak. 2016 Feb 9;16:18. doi: 10.1186/s12911-016-0255-x.


The application of design of experiments (DoE) reaction optimisation and solvent selection in the development of new synthetic chemistry.

Murray PM, Bellany F, Benhamou L, Bučar DK, Tabor AB, Sheppard TD.

Org Biomol Chem. 2016 Feb 28;14(8):2373-84. doi: 10.1039/c5ob01892g. Epub 2015 Dec 24.


HBF4-Catalysed Nucleophilic Substitutions of Propargylic Alcohols.

Barreiro E, Sanz-Vidal A, Tan E, Lau SH, Sheppard TD, Díez-González S.

European J Org Chem. 2015 Dec;2015(34):7544-7549. Epub 2015 Oct 29.


Computed Tomography of the Esophagus in Scleroderma and Lung Disease.

Takekoshi D, Arami S, Sheppard TJ, Cole-Saffold P, Michel JC, Kondos GT, Schraufnagel DE.

Tohoku J Exp Med. 2015 Dec;237(4):345-52. doi: 10.1620/tjem.237.345.


The Saccharomyces Genome Database Variant Viewer.

Sheppard TK, Hitz BC, Engel SR, Song G, Balakrishnan R, Binkley G, Costanzo MC, Dalusag KS, Demeter J, Hellerstedt ST, Karra K, Nash RS, Paskov KM, Skrzypek MS, Weng S, Wong ED, Cherry JM.

Nucleic Acids Res. 2016 Jan 4;44(D1):D698-702. doi: 10.1093/nar/gkv1250. Epub 2015 Nov 17.


Sustainable Synthesis of Chiral Tetrahydrofurans through the Selective Dehydration of Pentoses.

Foster RW, Tame CJ, Bučar DK, Hailes HC, Sheppard TD.

Chemistry. 2015 Nov 2;21(45):15947-50. doi: 10.1002/chem.201503510. Epub 2015 Sep 25.


B(OCH2CF3)3-mediated direct amidation of pharmaceutically relevant building blocks in cyclopentyl methyl ether.

Karaluka V, Lanigan RM, Murray PM, Badland M, Sheppard TD.

Org Biomol Chem. 2015 Nov 28;13(44):10888-94. doi: 10.1039/c5ob01801c. Epub 2015 Sep 14.


A lactate-derived chiral aldehyde for determining the enantiopurity of enantioenriched primary amines.

Gibson SM, Lanigan RM, Benhamou L, Aliev AE, Sheppard TD.

Org Biomol Chem. 2015 Sep 14;13(34):9050-4. doi: 10.1039/c5ob01398d. Epub 2015 Jul 29.


The influence of allosteric modulators and transmembrane mutations on desensitisation and activation of α7 nicotinic acetylcholine receptors.

Chatzidaki A, D'Oyley JM, Gill-Thind JK, Sheppard TD, Millar NS.

Neuropharmacology. 2015 Oct;97:75-85. doi: 10.1016/j.neuropharm.2015.05.006. Epub 2015 May 19.


Structural snapshots of the SCR reaction mechanism on Cu-SSZ-13.

Günter T, Carvalho HW, Doronkin DE, Sheppard T, Glatzel P, Atkins AJ, Rudolph J, Jacob CR, Casapu M, Grunwaldt JD.

Chem Commun (Camb). 2015 Jun 4;51(44):9227-30. doi: 10.1039/c5cc01758k.


Irreversible endo-selective diels-alder reactions of substituted alkoxyfurans: a general synthesis of endo-cantharimides.

Foster RW, Benhamou L, Porter MJ, Bučar DK, Hailes HC, Tame CJ, Sheppard TD.

Chemistry. 2015 Apr 13;21(16):6107-14. doi: 10.1002/chem.201406286. Epub 2015 Mar 10.


Structurally similar allosteric modulators of α7 nicotinic acetylcholine receptors exhibit five distinct pharmacological effects.

Gill-Thind JK, Dhankher P, D'Oyley JM, Sheppard TD, Millar NS.

J Biol Chem. 2015 Feb 6;290(6):3552-62. doi: 10.1074/jbc.M114.619221. Epub 2014 Dec 16.


Rapid assembly of functionalised spirocyclic indolines by palladium-catalysed dearomatising diallylation of indoles with allyl acetate.

Dhankher P, Benhamou L, Sheppard TD.

Chemistry. 2014 Oct 6;20(41):13375-81. doi: 10.1002/chem.201403940. Epub 2014 Aug 29.

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