NMR Facility

Department of Chemistry University of Oxford

 The efficacy of the Quercetin analogue LY294002 in immortalized cancer cell lines is related to the oxygenic and metabolic status of cells.
Xinyue Huang, Michelle Potter, Ben Pilgrim, Ruchuta Ardkhean, Mikail Kabeshov, Timothy Claridge, Matthew Wiseman, Karl Jonathan Morten, Timothy Donohoe, Helen Elizabeth Townley, Int J Cancer Ther Oncol. 2017; 5(1):51X. [DOI: 10.14319/ijcto.51.14]

Metabolomics reveals distinct, antibody-independent, molecular signatures of MS, AQP4-antibody and MOG-antibody disease
Maciej Jurynczyk, Fay Probert, Tianrong Yeo, George Tackley, Tim D.W. Claridge, Ana Cavey, Mark R. Woodhall, Siddharth Arora, Torsten Winkler, Eric Schiffer, Angela Vincent, Gabriele DeLuca, Nicola R. Sibson, M. Isabel Leite, Patrick Waters, Daniel C Anthony, and Jacqueline Palace.
Acta Neuropathologica Communications, 2017, 5:95 [DOI: 10.1186/s40478-017-0495-8]

Single-Acetylene Linked Porphyrin Nanorings
Michel Rickhaus, Andreas Vargas Jentzsch, Lara Tejerina, Isabell Grübner, Michael Jirasek, Timothy D. W. Claridge, and Harry L. Anderson,
J. Am. Chem. Soc., 2017, 139, 16502−16505 [DOI: 10.1021/jacs.7b10710]

Terminally truncated isopenicillin N synthase generates a dithioester product: evidence for a thioaldehyde intermediate during catalysis and a new mode of reaction for non-heme iron oxidases.
Luke A. McNeill Toby J. N. Brown, Malkit Sami, Ian J. Clifton, Nicolai I. Burzlaff, Timothy D. W. Claridge, Robert M. Adlington, Jack E. Baldwin, Peter J. Rutledge, and Christopher J. Schofield.
Chem. Eur. J., 2017, 23, 12815-12824 [DOI: 10.1002/chem.201701592]

Molecular and Cellular Mechanisms of HIF Prolyl Hydroxylase inhibitors in Clinical Trials.
Tzu-Lan Yeh, Thomas M. Leissing, Martine I. Abboud, Cyrille C. Thinnes, Onur Atasoylu, James P. Holt-Martyn, Dong Zhang, Anthony Tumber, Kerstin Lippl, Christopher T. Lohans, Ivanhoe K. H. Leung, Helen Morcrette, Ian. J. Clifton, Timothy D. W. Claridge, Akane Kawamura, Emily Flashman, Xin Lu, Peter J. Ratcliffe, Rasheduzzaman Chowdhury, Christopher W. Pugh, and Christopher J. Schofield.
Chemical Science, 2017, 8, 7651–7668 [DOI: 10.1039/c7sc02103h.]

Isochondodendrine and 2′-norcocsuline: additional alkaloids from Triclisia subcordata, induced cytotoxicity and apoptosis in ovarian cancer cell lines.
Fidelia Ijeoma Uche,  Mohammed N. Abed, Marwan I. Abdullah, Falko P. Drijfhout, James McCullagh, Timothy W. D. Claridge, Alan Richardson and Wen-Wu Li.
RSC Adv., 2017, 7, 44154-44161 [DOI: 10.1039/c7ra08032h]

NOAH – NMR Supersequences for Small Molecule Analysis and Structure Elucidation.
Eriks Kupce and Tim D. W. Claridge.
Angew. Chem. Int. Ed., 2017, 56, 11779-11783 [DOI: 10.1002/anie.201705506]

mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation.
Anna M. Rydzik, Marcin Warminski, Pawel J. Sikorski, Marek R. Baranowski, Sylwia Walczak, Joanna Kowalska, Joanna Zuberek, Maciej Lukaszewicz, Elzbieta Nowak, Timothy D. W. Claridge, Edward Darzynkiewicz, Marcin Nowotny, Jacek Jemielity.
Nucleic Acid Research, 2017, 45, 8661–8675 [DOI: 10.1093/nar/gkx569]

AMP binding stabilizes the KTN domain of the Shewanella denitrificans Kef potassium efflux system.
Christos Pliotas, Samuel C. Grayer, Sylvia Ekkerman, Anthony K. N. Chan, Jessica Healy, Phedra Marius, Wendy Bartlett, Amjad Khan, Wilian A. Cortopassi, Shane A Chandler, Tim Rasmussen, Justin L. P. Benesch, Robert S. Paton, Tim D. W. Claridge, Samantha Miller, Ian R. Booth, James H. Naismith and Stuart J. Conway.
Biochemistry, 2017, 56, 4219-4234. [DOI: 10.1021/acs.biochem.7b00300]

13C-Carbamylation as a mechanistic probe for the inhibition of class D β-lactamases by avibactam and halide ions.
Christopher T. Lohans, David Y. Wang, Christian Jorgensen, Samuel T. Cahill, Ian J. Clifton, Michael A. McDonough, Henry P. Oswin, James Spencer, Carmen Domene, Timothy D. W. Claridge, Jürgen Brem and Christopher J. Schofield.
Org. Biomol. Chem., 2017, 15, 6024-6032 [DOI: 10.1039/c7ob01514c]

Evaluation of 1H NMR metabolic profiling of Niemann Pick type 1 patient plasma as a potential diagnostic tool.
Fay Probert, Victor Ruiz-Rodado, Danielle te Vruchte, Elena-Raluca Nicoli, Tim D.W. Claridge, Christopher A. Wassif, Nicole Farhat, Forbes D. Porter, Frances M. Platt and Martin Grootveld.
Sci Reps. 2017, 7, 6320; [DOI: 10.1038/s41598-017-06264-2]

Mechanistic studies on a Cu-catalysed asymmetric allylic alkylation with cyclic racemic starting materials.
Emeline Rideau, Hengzhi You, Mireia Sidera, Timothy D. W. Claridge, Stephen P. Fletcher.
J. Am. Chem. Soc. 2017, 139, 5614−5624. [DOI: 10.1021/jacs.7b02440]

Monitoring the Disassembly of Virus-like Particles by 19F NMR.
Rogen L. C. Leung, Matthew D. M. Robinson, Alaa A. A. Ajabali, Gogulan Karunanithy, Brian Lyons, Ritu Raj, Saeed Raoufmoghaddam, Shabaz Mohammed, Timothy D. W. Claridge, Andrew J. Baldwin and Benjamin G. Davis.
J. Am. Chem. Soc. 2017, 139, 5277−5280. [DOI: 10.1021/jacs.6b11040]

19F-NMR Reveals the Role of Mobile Loops in Product and Inhibitor Binding by the São Paolo Metallo-β-Lactamase.
Martine I. Abboud, Jürgen Brem, Philip Hinchliffe, Robert Macsics, Inga Pfeffer, Anne Makena, Klaus-Daniel Umland, Anna M. Rydzik, Guo-Bo Li, James Spencer, Timothy D.W. Claridge, and Christopher J. Schofield.
Angew. Chem. Int. Ed. 2017, 56, 3862 –3866. [DOI: 10.1002/anie.201612185]

Protein-ligand binding affinity determination by the waterLOGSY method: An optimised approach considering ligand rebinding.
Renjie Huang, Arnaud Bonnichon, Timothy D. W. Claridge, Ivanhoe K. H. Leung
Sci. Reps. 2017, 7, 43727; [DOI: 10.1038/srep43727]

Formation of a σ-alkane Complex and a Molecular Rearrangement in the Solid-State: [Rh(Cyp2PCH2CH2PCyp2)(η22-C7H12)][BArF4]
Alasdair I. McKay, Tobias Krämer, Nicholas H. Rees, Amber L. Thompson, Kirsten E. Christensen, Stuart A. Macgregor, and Andrew S. Weller
Organometallics, 2017, 36, 22–25. [DOI: 10.1021/acs.organomet.6b00645]

A characterization of the antimalarial activity of the bark of Cylicodiscus gabunensis Harms.
Omar Aldulaimi, Fidelia I. Uche, Hamza Hameed, Haddijatou Mbye, Imran Ullah, Falko Drijfhout, Timothy D.W. Claridge, Paul Horrocks, Wen-Wu Li
Journal of Ethnopharmacology, 2017, 198, 221–225. [DOI: 10.1016/j.jep.2017.01.014]

Stereoselective Production of Dimethyl-Substituted Carbapenams via Engineered Carbapenem Biosynthesis Enzymes.
Refaat B. Hamed, Luc Henry, Timothy D. W. Claridge, and Christopher J. Schofield
ACS Catalysis, 2017, 7, 1279−1285. [DOI: 10.1021/acscatal.6b02509]

Aromatic and antiaromatic ring currents in a molecular nanoring.
Martin D. Peeks, Timothy D. W. Claridge, Harry L. Anderson
Nature, 2017, 541, 200-203. [DOI: 10.1038/nature20798]