NMR Facility

Department of Chemistry University of Oxford

High-Resolution NMR Techniques in Organic Chemistry (3rd Edn)
Timothy D. W. Claridge, Elsevier.

Post-translational mutagenesis: A chemical synthetic strategy for exploration of protein side-chain diversity.
Tom H. Wright, Ben J. Bower, Justin M. Chalker, Gonçalo J. L. Bernardes, Rafal Wiewiora, Wai-Lung Ng, Ritu Raj, Sarah Faulkner, M. Robert J. Vallée, Anuchit Phanumartwiwath, Oliver D. Coleman, Marie-Laëtitia Thézénas, Maola Khan, Sébastien R. G. Galan, Lukas Lercher, Matthew W. Schombs, Stefanie Gerstberger, Maria E. Palm-Espling, Andrew J. Baldwin, Benedikt M. Kessler, Timothy D. W. Claridge, Shabaz Mohammed, Benjamin G. Davis,
Science, [DOI: 10.1126/science.aag1465]

Early diagnosis of brain metastases using a biofluids-metabolomics approach in mice.
James R. Larkin, Alex M. Dickens, Timothy D. W. Claridge, Claire Bristow, Kleopatra Andreou, Daniel C. Anthony, Nicola R. Sibson.
Theranostics, 2016, 6, 2161-2169 [DOI: 10.7150/thno.16538].

Torsional and Electronic Factors Control the C−H⋅⋅⋅O Interaction.
R. W. Driver, T. D. W. Claridge, S. Scheiner, M. D. Smith.
Chem. Eur. J. 2016, 22, 16513-16521. [DOI: 10.1002/chem.201602905]

Normal tissue radioprotection by amifostine via Warburg-type effects.
Michael I. Koukourakis, Alexandra Giatromanolaki, Christos E. Zois, Dimitra Kalamida, Stamatia Pouliliou, Ilias V. Karagounis, Tzu-Lan Yeh, Martine I. Abboud, Timothy D. W. Claridge, Christopher J. Schofield, Efthimios Sivridis, Costantinos Simopoulos, Savvas P. Tokmakidis and Adrian L. Harris.
Sci. Rep., 2016, 6, 30986. [DOI: 10.1038/srep30986]

Interaction of Avibactam with Class B Metallo-β-lactamases.
Martine I. Abboud, Christian Damblon, Jürgen Brem, Nicolas Smargiasso, Paola Mercuri, Bernard Gilbert, Anna M. Rydzik,Timothy D. W. Claridge, Christopher J. Schofield, and Jean-Marie Frère,
Antimicrob. Agents Chemother., 2016, 60, 5655–5662 [DOI:10.1128/AAC.00897-16]

Nanorings with Copper(II) and Zinc(II) Centers: Forcing Copper Porphyrins to Bind Axial Ligands in Heterometallated Oligomers.
Jonathan Cremers, Sabine Richert, Dmitry V. Kondratuk, Tim D. W. Claridge, Christiane R. Timmel, and Harry L. Anderson,
Chemical Science, 2016, 7, 6961-6968. [DOI: 10.1039/C6SC01809B]

Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Rasheduzzaman Chowdhury, Ivanhoe K. H. Leung, Ya-Min Tian, Martine I. Abboud, Wei Ge, Carmen Domene, François-Xavier Cantrelle, Isabelle Landrieu, Adam P. Hardy, Christopher W. Pugh, Peter J. Ratcliffe, Timothy D. W. Claridge & Christopher J. Schofield,
Nat. Commun. 2016, 7:12673, [DOI: 10.1038/ncomms12673].

Synthesis and Characterization of Solid Polymethylaluminoxane: A Bifunctional Activator and Support for Slurry-Phase Ethylene Polymerization
Kilpatrick, Alexander F. R.; Buffet, Jean-Charles; Noerby, Peter; Rees, Nicholas H.; Funnell, Nicholas P.; Sripothongnak, Saovalak; O'Hare, Dermo
Chemistry of Materials, 2016, 28, 7444-7450 [DOI: 10.1021/acs.chemmater.6b03009].

Substituent effects on fluoride binding by lanthanide complexes of DOTA-tetraamides
Blackburn, Octavia A.; Routledge, Jack D.; Jennings, Laura B.; Rees, Nicholas H.; Kenwright, Alan M.; Beer, Paul D.; Faulkner, Stephen
Dalton Transactions, 2016, 45, 3070-3077 [DOI: 10.1039/C5DT04349B].

Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange
Chadwick, F. Mark; Kramer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.
Journal of the American Chemical Society, 2016, 138, 13369-13378 [DOI: 10.1021/jacs.6b07968].

Hydrogen cleavage by solid-phase frustrated Lewis pairs
Xing, Jun-Yi; Buffet, Jean-Charles; Rees, Nicholas H.; Noerby, Peter; O'Hare, Dermot
Chemical Communications, 2016, 52,  10478-10481 [DOI: 10.1039/C6CC04937K].

Heptaphosphide cluster anions bearing group 14 element amide functionalities.
Quintero, Gabriela Espinoza; Paterson-Taylor, Isabelle; Rees, Nicholas H.; Goicoechea, Jose M.
Dalton Transactions, Volume: 45, Issue: 5, Pages: 1930-1936. [DOI: 10.1039/C5DT02380G].

Catalytic enantio- and diastereoselective Mannich reaction of α-substituted isocyanoacetates and ketimines
de la Campa, Raquel; Gammack Yamagata, Adam D.; Ortin, Irene; Franchino, Allegra; Thompson, Amber L.; Odell, Barbara; Dixon, Darren J
Chem. Commun., 2016, 52, 10632-10635 [DOI:10.1039/C6CC04132A].

Hydrogen Bonding to Hexafluoroisopropanol Controls the Oxidative Strength of Hypervalent Iodine Reagents
Colomer, Ignacio; Batchelor-McAuley, Christopher; Odell, Barbara; Donohoe, Timothy J.; Compton, Richard G
J. Am. Chem. Soc., 2016, 138, 8855-8861. [DOI:10.1021/jacs.6b04057]

Synthesis of Five-Porphyrin Nanorings by Using Ferrocene and Corannulene Templates
Liu, Pengpeng; Hisamune, Yutaka; Peeks, Martin D.; Odell, Barbara; Gong, Juliane Q.; Herz, Laura M.; Anderson, Harry L
Angew. Chem., Int. Edn, 2016, 55, 8358-8362. [DOI:10.1002/anie.201602909]

Scalar cross-relaxation detected in the NOESY spectra of Oxazolidines and Thiazolidines.
Tharindi D. Panduwawala, Laia Josa-Culleré, Ilya Kuprov, Barbara Odell, Mark G. Moloney, and Timothy D. W. Claridge.
J. Org. Chem. 2016, 81, 4142-4148 [DOI: 10.1021/acs.joc.6b00458]

Harnessing NMR relaxation interference effects to characterise supramolecular assemblies.
Gogulan Karunanithy, Arjen Cnossen, Henrik Müller, Martin D. Peeks, Nicholas H. Rees, Timothy D. W. Claridge, Harry L. Anderson and Andrew J. Baldwin.
Chem. Comm. 2016, 52, 7450-7453 [DOI: 10.1039/C6CC02544G]

Cephalosporins inhibit human metallo β-lactamase fold DNA repair nucleases SNM1A and SNM1B/apollo.
Sook Y. Lee, Jürgen Brem, Ilaria Pettinati, Timothy D. W. Claridge, Opher Gileadi, Christopher J. Schofield and Peter J. McHugh.
Chem. Comm., 2016, 52, 6727-6730. [DOI: 10.1039/C6CC00529B]

Development and applications of an efficient NMR ligand-based binding assay for γ-butyrobetaine hydroxylase (BBOX).
Amjad Khan, Robert K. Lesniak, Anna M. Rydzik, Hwanho Choi, Ivanhoe K. H. Leung, Jürgen Brem, Michael A. McDonough, Christopher J. Schofield, and Timothy D. W. Claridge.
MedChemComm, 2016, 7, 873-880. [DOI: 10.1039/C6MD00004E]

A Rhodium–Pentane Sigma-Alkane Complex: Characterization in the Solid State by Experimental and Computational Techniques.
F. Mark Chadwick, Nicholas H. Rees, Andrew S. Weller, Tobias Kr•mer, Marcella Iannuzzi, and Stuart A. Macgregor.
Angew. Chem. Int. Ed., 2016, 55, 3677 –3681. [DOI: 10.1002/anie.201511269]

Synthesis and Characterization of a Novel N-F Reagent derived from the Ethano-Tröger’s Base:  1JFN Coupling Constant as Signature for the N-F Bond.
Raul Pereira, Jamie Wolstenhulme, Graham Sandford, Timothy D. W. Claridge, Véronique Gouverneur and Jan Cvengroš.
Chem. Comm, 2016, 52, 1606-1609. [DOI: 10.1039/C5CC08375C]

Core–shell zeolite@aqueous miscible organic-layered double hydroxides.
Chunping Chen , Coral F. H. Byles , Jean-Charles Buffet , Nicholas H. Rees , Yue Wu and Dermot O'Hare.
Chem. Sci., 2016, 7, 1457-1461 [DOI: 10.1039/C5SC03208C]

Urinary Excretion and Metabolism of Miglustat and Valproate in Patients with Niemann-Pick Type C1 Disease: One- and Two-Dimensional Solution-State 1H NMR Studies
Fay Probert, Victor Ruiz-Rodado, Xiaoyu Zhang, Danielle te Vruchte,Tim D.W. Claridge, Mark Edgar, Anna Zonato Tocchio, Robin H. Lachmann,Frances M. Platt, Martin Grootveld.
J. Pharm. Biomed. Anal., 2016, 117, 276–288. [DOI: 10.1016/j.jpba.2015.08.011]