NMR Publications
Selected Recent Publications using the NMR Centre
Biochemistry
Chemistry
Metabolomics
Food Science
Environmental Science
Materials Science
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Biochemistry
Schmidt, M. L.; Davis, J. H. 2 H NMR of Oriented Phospholipid/Cholesterol Bilayers Containing an Amphiphilic Peptide. Biochimica et Biophysica Acta (BBA) - Biomembranes 2020, 1862 (5), 183196. https://doi.org/10.1016/j.bbamem.2020.183196.
Clarke, B. R.; Ovchinnikova, O. G.; Sweeney, R. P.; Kamski-Hennekam, E. R.; Gitalis, R.; Mallette, E.; Kelly, S. D.; Lowary, T. L.; Kimber, M. S.; Whitfield, C. A Bifunctional O-Antigen Polymerase Structure Reveals a New Glycosyltransferase Family. Nat Chem Biol 2020, 16 (4), 450–457. https://doi.org/10.1038/s41589-020-0494-0.
Xiao, P.; Bolton, D.; Munro, R. A.; Brown, L. S.; Ladizhansky, V. Solid-State NMR Spectroscopy Based Atomistic View of a Membrane Protein Unfolding Pathway. Nat Commun 2019, 10 (1), 3867. https://doi.org/10.1038/s41467-019-11849-8.
Rea, K. A.; Casaretto, J. A.; Al-Abdul-Wahid, M. S.; Sukumaran, A.; Geddes-McAlister, J.; Rothstein, S. J.; Akhtar, T. A. Biosynthesis of Cannflavins A and B from Cannabis Sativa L. Phytochemistry 2019, 164, 162–171. https://doi.org/10.1016/j.phytochem.2019.05.009.
Munro, R. A.; de Vlugt, J.; Ward, M. E.; Kim, S. Y.; Lee, K. A.; Jung, K.-H.; Ladizhansky, V.; Brown, L. S. Biosynthetic Production of Fully Carbon-13 Labeled Retinal in E. Coli for Structural and Functional Studies of Rhodopsins. J Biomol NMR 2019, 73 (1–2), 49–58. https://doi.org/10.1007/s10858-019-00225-9.
Mann, E.; Kelly, S. D.; Al-Abdul-Wahid, M. S.; Clarke, B. R.; Ovchinnikova, O. G.; Liu, B.; Whitfield, C. Substrate Recognition by a Carbohydrate-Binding Module in the Prototypical ABC Transporter for Lipopolysaccharide O-Antigen from Escherichia Coli O9a. J. Biol. Chem. 2019, 294 (41), 14978–14990. https://doi.org/10.1074/jbc.RA119.010323.
Good, D. B.; Voinov, M. A.; Bolton, D.; Ward, M. E.; Sergeyev, I. V.; Caporini, M.; Scheffer, P.; Lo, A.; Rosay, M.; Marek, A.; Brown, L. S.; I Smirnov, A.; Ladizhansky, V. A Biradical-Tagged Phospholipid as a Polarizing Agent for Solid-State MAS Dynamic Nuclear Polarization NMR of Membrane Proteins. Solid State Nuclear Magnetic Resonance2019, 100, 92–101. https://doi.org/10.1016/j.ssnmr.2019.04.003.
Boddington, K. F.; Graether, S. P. Binding of a Vitis Riparia Dehydrin to DNA. Plant Science 2019, 287, 110172. https://doi.org/10.1016/j.plantsci.2019.110172.
Williams, D. M.; Ovchinnikova, O. G.; Koizumi, A.; Mainprize, I. L.; Kimber, M. S.; Lowary, T. L.; Whitfield, C. Single Polysaccharide Assembly Protein That Integrates Polymerization, Termination, and Chain-Length Quality Control. PNAS 2017, 114 (7), E1215–E1223. https://doi.org/10.1073/pnas.1613609114.
Schmidt, M. L.; Davis, J. H. Liquid Disordered–Liquid Ordered Phase Coexistence in Lipid/Cholesterol Mixtures: A Deuterium 2D NMR Exchange Study. Langmuir 2017, 33 (8), 1881–1890. https://doi.org/10.1021/acs.langmuir.6b02834.
Good, D.; Pham, C.; Jagas, J.; Lewandowski, J. R.; Ladizhansky, V. Solid-State NMR Provides Evidence for Small-Amplitude Slow Domain Motions in a Multispanning Transmembrane α-Helical Protein. J. Am. Chem. Soc. 2017, 139(27), 9246–9258. https://doi.org/10.1021/jacs.7b03974.
Ovchinnikova, O. G.; Mallette, E.; Koizumi, A.; Lowary, T. L.; Kimber, M. S.; Whitfield, C. Bacterial β-Kdo Glycosyltransferases Represent a New Glycosyltransferase Family (GT99). Proc Natl Acad Sci USA 2016, 113 (22), E3120–E3129. https://doi.org/10.1073/pnas.1603146113.
Liu, J.; Liu, C.; Fan, Y.; Munro, R. A.; Ladizhansky, V.; Brown, L. S.; Wang, S. Sparse 13C Labelling for Solid-State NMR Studies of P. Pastoris Expressed Eukaryotic Seven-Transmembrane Proteins. J Biomol NMR 2016, 65 (1), 7–13. https://doi.org/10.1007/s10858-016-0033-1.
Davis, J. H.; Komljenović, I. Nuclear Overhauser Effect as a Probe of Molecular Structure, Dynamics and Order of Axially Reorienting Molecules in Membranes. Biochimica et Biophysica Acta (BBA) - Biomembranes 2016, 1858 (2), 295–303. https://doi.org/10.1016/j.bbamem.2015.11.016.
Chemistry
Stones, M. K.; Banz Chung, E. M.-J.; da Cunha, I. T.; Sullivan, R. J.; Soltanipanah, P.; Magee, M.; Umphrey, G. J.; Moore, C. M.; Sutton, A. D.; Schlaf, M. Conversion of Furfural Derivatives to 1,4-Pentanediol and Cyclopentanol in Aqueous Medium Catalyzed by Trans -[(2,9-Dipyridyl-1,10-Phenanthroline)(CH 3 CN) 2 Ru](OTf) 2. ACS Catal. 2020, 10 (4), 2667–2683. https://doi.org/10.1021/acscatal.9b05055.
Wicks, C.; Koh, S.; Pounder, A.; Carlson, E.; Tam, W. Acid-Catalyzed Intramolecular Ring-Opening Reactions of Cyclopropanated Oxabenzonorbornadienes with Alcohol Nucleophiles. Tetrahedron Letters 2019, 60 (45), 151228. https://doi.org/10.1016/j.tetlet.2019.151228.
Nejatie, A.; Jegatheeswaran, S.; Auzanneau, F.-I. Synthesis of LacNAcLe x - and DimLe x -BSA Conjugates and Binding to Anti-Polymeric Le x MAbs: Synthesis of LacNAcLe x - and DimLe x -BSA Conjugates and Binding to Anti-Polymeric Le x MAbs. Eur. J. Org. Chem. 2019, 2019 (39), 6631–6645. https://doi.org/10.1002/ejoc.201901142.
Michalowicz, C. A.; Mills, M. B.; Song, E.; Soldatov, D. V.; Boyle, P. D.; Rouzières, M.; Clérac, R.; Preuss, K. E. Slow Magnetization Dynamics in a Six-Coordinate Fe( ii )–Radical Complex. Dalton Trans. 2019, 48 (14), 4514–4519.https://doi.org/10.1039/C9DT00558G.
Hill, J.; Tam, W. Palladium/Lewis Acid Cocatalyzed Ring-Opening Reactions of Unsymmetrical Oxabenzonobornadienes with Oximes. J. Org. Chem. 2019, 84 (12), 8309–8314. https://doi.org/10.1021/acs.joc.9b01094.
Deore, P. S.; Gray, M. D.; Chung, A. J.; Manderville, R. A. Ligand-Induced G-Quadruplex Polymorphism: A DNA Nanodevice for Label-Free Aptasensor Platforms. J. Am. Chem. Soc. 2019, 141 (36), 14288–14297. https://doi.org/10.1021/jacs.9b06533.
Deore, P. S.; Coman, D. S.; Manderville, R. A. A Coumarin–Hemicyanine Hybrid as a Ratiometric Fluorescent Sensor of Microenvironment Proticity. Chem. Commun. 2019, 55 (24), 3540–3543. https://doi.org/10.1039/C8CC10132A.
Denk, M. K.; Milutinović, N. S.; Dereviankin, M. Y. Reduction of Halocarbons to Hydrocarbons by NADH Models and NADH. Chemosphere 2019, 233, 890–895. https://doi.org/10.1016/j.chemosphere.2019.05.169.
Chung, A. J.; Deore, P. S.; Al-Abdul-Wahid, S.; Aboelnga, M. M.; Wetmore, S. D.; Manderville, R. A. Acceptor Influence on Thiolate Sensing by Hemicyanine Dyes. J. Org. Chem. 2019, 84 (4), 2261–2268. https://doi.org/10.1021/acs.joc.9b00066.
Mills, M. B.; Wohlhauser, T.; Stein, B.; Verduyn, W. R.; Song, E.; Dechambenoit, P.; Rouzières, M.; Clérac, R.; Preuss, K. E. Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-Bonding, Pancake Bonding, and Electrostatics in 4-(2′-Benzimidazolyl)-1,2,3,5-Dithiadiazolyl. J. Am. Chem. Soc. 2018, 140 (49), 16904–16908. https://doi.org/10.1021/jacs.8b10370.
McGregor, C.; Al-Abdul-Wahid, M. S.; Robertson, V.; Cox, J. S.; Tremaine, P. R. Formation Constants and Conformational Analysis of Carbamates in Aqueous Solutions of 2-Methylpiperidine and CO 2 from 283 to 313 K by NMR Spectroscopy. J. Phys. Chem. B 2018, 122 (39), 9178–9190. https://doi.org/10.1021/acs.jpcb.8b04843.
Carlson, E.; Boutin, R.; Tam, W. Type 3 Ring Opening Reaction of Cyclopropanated Oxabenzonorbornadienes with Alcohol Nucleophiles. Tetrahedron 2018, 74 (38), 5510–5518. https://doi.org/10.1016/j.tet.2018.03.063.
Pequegnat, B.; Laird, R. M.; Ewing, C. P.; Hill, C. L.; Omari, E.; Poly, F.; Monteiro, M. A.; Guerry, P. Phase-Variable Changes in the Position of O-Methyl Phosphoramidate Modifications on the Polysaccharide Capsule of Campylobacter Jejuni Modulate Serum Resistance. J Bacteriol 2017, 199 (14), e00027-17, e00027-17. https://doi.org/10.1128/JB.00027-17.
Mayo, R. A.; Sullivan, D. J.; Fillion, T. A. P.; Kycia, S. W.; Soldatov, D. V.; Preuss, K. E. Reversible Crystal-to-Crystal Chiral Resolution: Making/Breaking Non-Bonding S⋯O Interactions. Chem. Commun. 2017, 53 (28), 3964–3966. https://doi.org/10.1039/C7CC00907K.
Mousa, W.; Schwan, A.; Raizada, M. Characterization of Antifungal Natural Products Isolated from Endophytic Fungi of Finger Millet (Eleusine Coracana). Molecules 2016, 21 (9), 1171. https://doi.org/10.3390/molecules21091171.
Metabolomics
Oliphant, K.; Cochrane, K.; Schroeter, K.; Daigneault, M. C.; Yen, S.; Verdu, E. F.; Allen-Vercoe, E. Effects of Antibiotic Pretreatment of an Ulcerative Colitis-Derived Fecal Microbial Community on the Integration of Therapeutic Bacteria In Vitro. mSystems 2020, 5 (1). https://doi.org/10.1128/mSystems.00404-19.
Oliphant, K.; Parreira, V. R.; Cochrane, K.; Allen-Vercoe, E. Drivers of Human Gut Microbial Community Assembly: Coadaptation, Determinism and Stochasticity. ISME J 2019, 13 (12), 3080–3092. https://doi.org/10.1038/s41396-019-0498-5.
Carlucci, C.; Jones, C. S.; Oliphant, K.; Yen, S.; Daigneault, M.; Carriero, C.; Robinson, A.; Petrof, E. O.; Weese, J. S.; Allen-Vercoe, E. Effects of Defined Gut Microbial Ecosystem Components on Virulence Determinants of Clostridioides Difficile. Sci Rep 2019, 9 (1), 1–11. https://doi.org/10.1038/s41598-018-37547-x.
Wissenbach, D. K.; Oliphant, K.; Rolle-Kampczyk, U.; Yen, S.; Höke, H.; Baumann, S.; Haange, S. B.; Verdu, E. F.; Allen-Vercoe, E.; von Bergen, M. Optimization of Metabolomics of Defined in Vitro Gut Microbial Ecosystems. International Journal of Medical Microbiology 2016, 306 (5), 280–289. https://doi.org/10.1016/j.ijmm.2016.03.007.
Food Science
Wang, N.; Jia, G.; Wang, C.; Chen, M.; Xie, F.; Nepovinnykh, N. V.; Goff, H. D.; Guo, Q. Structural Characterisation and Immunomodulatory Activity of Exopolysaccharides from Liquid Fermentation of Monascus Purpureus (Hong Qu). Food Hydrocolloids 2020, 103, 105636. https://doi.org/10.1016/j.foodhyd.2019.105636.
Zaitoon, A.; Lim, L.-T.; Scott-Dupree, C. Synthesis and Characterization of Ethyl Formate Precursor for Activated Release Application. J. Agric. Food Chem. 2019, 67 (50), 13914–13921. https://doi.org/10.1021/acs.jafc.9b06335.
Luo, X.; Lim, L.-T. Cinnamil- and Quinoxaline-Derivative Indicator Dyes for Detecting Volatile Amines in Fish Spoilage. Molecules 2019, 24 (20), 3673. https://doi.org/10.3390/molecules24203673.
Guo, Q.; Du, J.; Jiang, Y.; Goff, H. D.; Cui, S. W. Pectic Polysaccharides from Hawthorn: Physicochemical and Partial Structural Characterization. Food Hydrocolloids 2019, 90, 146–153. https://doi.org/10.1016/j.foodhyd.2018.10.011.
Marangoni, A. G.; Al-Abdul-Wahid, M. S.; Nicholson, R.; Roma, A.; Gravelle, A. J.; De Souza, J.; Barbut, S.; Spagnuolo, P. A. Water Immobilization by Glass Microspheres Affects Biological Activity. Sci Rep 2018, 8 (1), 9744. https://doi.org/10.1038/s41598-018-28123-4.
Environmental Science
Behravan, H. R.; Voroney, P.; Khorassani, R.; Fotovat, A.; Moezei, A. A.; Taghavi, M. Chemical and Spectroscopic Characterization of Humic Acids Extracted from Filter Cake Using Different Basic Solutions. Sugar Tech 2020, 22 (2), 311–318. https://doi.org/10.1007/s12355-019-00770-5.
Fallaise, D.; Konzuk, J.; Cheyne, C.; Mack, E. E.; Longstaffe, J. G. Nontargeted Analysis of a Non‐Aqueous‐Phase Liquid From a Chemical Manufacturing Site Using Nuclear Magnetic Resonance Spectroscopy. Environ Toxicol Chem2019, 38 (5), 947–955. https://doi.org/10.1002/etc.4394.
Audette, Y.; Smith, D. S.; Parsons, C. T.; Longstaffe, J.; Chen, W.; Rezanezhad, F.; Evans, L. J.; Van Cappellen, P. Impact of Hydrofluoric Acid Treatment on Humic Acid Properties Extracted from Organic Soils and an Organic Amendment: A Technical Evaluation. Soil Sci. Soc. Am. j. 2019, 83 (4), 1219–1226. https://doi.org/10.2136/sssaj2018.11.0419.
Audette, Y.; O’Halloran, I. P.; Nowell, P. M.; Dyer, R.; Kelly, R.; Voroney, R. P. Speciation of Phosphorus from Agricultural Muck Soils to Stream and Lake Sediments. J. Environ. Qual. 2018, 47 (4), 884–892. https://doi.org/10.2134/jeq2018.02.0068.
Materials Science
Thakur, S.; Cisneros-Lopez, E. O.; Pin, J.-M.; Misra, M.; Mohanty, A. K. Green Toughness Modifier from Downstream Corn Oil in Improving Poly(Lactic Acid) Performance. ACS Appl. Polym. Mater. 2019, 1 (12), 3396–3406. https://doi.org/10.1021/acsapm.9b00832.
Jubinville, D.; Chang, B. P.; Pin, J.-M.; Mohanty, A. K.; Misra, M. Synergistic Thermo-Oxidative Maleation of PA11 as Compatibilization Strategy for PA6 and PBT Blend. Polymer 2019, 179, 121594.https://doi.org/10.1016/j.polymer.2019.121594.
Chang, B. P.; Thakur, S.; Mohanty, A. K.; Misra, M. Novel Sustainable Biobased Flame Retardant from Functionalized Vegetable Oil for Enhanced Flame Retardancy of Engineering Plastic. Sci Rep 2019, 9 (1), 15971. https://doi.org/10.1038/s41598-019-52039-2.
Valerio, O.; Pin, J. M.; Misra, M.; Mohanty, A. K. Synthesis of Glycerol-Based Biopolyesters as Toughness Enhancers for Polylactic Acid Bioplastic through Reactive Extrusion. ACS Omega 2016, 1 (6), 1284–1295. https://doi.org/10.1021/acsomega.6b00325.