Publications
Publications organized by Technology Development Project (TDP)
sorted by TDP and year, then alphabetically by first author; * designates Resource staff member(s)
Jump to section: HTS probes | DNP | 1.5 GHz SCH NMR
Poulhazan A, Arnold AA, Mentink-Vigier F, Muszyński A, Azadi P, Halim A, Vakhrushev SY, Joshi HJ, Wang T, Warschawski DE, Marcotte I. Molecular-level architecture of Chlamydomonas reinhardtii’s glycoprotein-rich cell wall. Nat Commun. 2024 Feb 2;15(1):986. doi: 10.1038/s41467-024-45246-7. PMID: 38307857; PMCID: PMC10837150.
Bastos R, Marín-Montesinos I, Ferreira SS, Mentink-Vigier F, Sardo M, Mafra L, Coimbra MA, Coelho E. Covalent connectivity of glycogen in brewer’s spent yeast cell walls revealed by enzymatic approaches and dynamic nuclear polarization NMR. Carbohydr Polym. 2024 Jan 15;324:121475. doi: 10.1016/j.carbpol.2023.121475. Epub 2023 Oct 10. PMID: 37985041; PMCID: PMC10695155.
Sen S, Stebbins JF, Kroeker S, Hung I, Gan Z. Evidence for Mixed Mg Coordination Environments in Silicate Glasses: Results from 25Mg NMR Spectroscopy at 35.2 T. J Phys Chem B. 2023 Dec 14;127(49):10659-10666. doi: 10.1021/acs.jpcb.3c06419. Epub 2023 Nov 30. PMID: 38032847; PMCID: PMC10726351.
Zhang R, Qin H, Prasad R, Fu R, Zhou HX, Cross TA. Dimeric Transmembrane Structure of the SARS-CoV-2 E Protein. Commun Biol. 2023 Nov 1;6(1):1109. doi: 10.1038/s42003-023-05490-x. PMID: 37914906; PMCID: PMC10620413.
Cai F, Bezwada D, Cai L, Mahar R, Wu Z, Chang MC, Pachnis P, Yang C, Kelekar S, Gu W, Brooks B, Ko B, Vu HS, Mathews TP, Zacharias LG, Martin-Sandoval M, Do D, Oaxaca KC, Jin ES, Margulis V, Malloy CR, Merritt ME, DeBerardinis RJ. Comprehensive isotopomer analysis of glutamate and aspartate in small tissue samples. Cell Metab. 2023 Oct 3;35(10):1830-1843.e5. doi: 10.1016/j.cmet.2023.07.013. Epub 2023 Aug 22. PMID: 37611583; PMCID: PMC10732579.
Zhang R, Qin H, Prasad R, Fu R, Zhou HX, Cross TA. Dimeric Transmembrane Structure of the SARS-CoV-2 E Protein. bioRxiv [Preprint]. 2023 May 8:2023.05.07.539752. doi: 10.1101/2023.05.07.539752. Update in: Commun Biol. 2023 Nov 1;6(1):1109. PMID: 37214926; PMCID: PMC10197518.
Hung I, Gan Z. Pushing the limit of MQMAS for low-γ quadrupolar nuclei in pharmaceutical hydrochlorides. J Magn Reson. 2023 May;350:107423. doi: 10.1016/j.jmr.2023.107423. Epub 2023 Mar 12. PMID: 36966726.
Zhang W, Hassan A, Struppe J, Monette M, Hung I, Gan Z, Martins V, Terskikh V, Huang Y. Overcoming challenges in 67Zn NMR: a new strategy of signal enhancement for MOF characterization. Chem Commun (Camb). 2023 Apr 27;59(35):5205-5208. doi: 10.1039/d3cc00716b. PMID: 37042636; PMCID: PMC10155100.
Smrt ST, Escobar CA, Dey S, Cross TA, Zhou HX. An Arg/Ala-rich helix in the N-terminal region of M. tuberculosis FtsQ is a potential membrane anchor of the Z-ring. Commun Biol. 2023 Mar 23;6(1):311. doi: 10.1038/s42003-023-04686-5. PMID: 36959324; PMCID: PMC10036325.
Coelho M, Mahar R, Belew GD, Torres A, Barosa C, Cabral F, Viegas I, Gastaldelli A, Mendes VM, Manadas B, Jones JG, Merritt ME. Enrichment of hepatic glycogen and plasma glucose from H₂18 O informs gluconeogenic and indirect pathway fluxes in naturally feeding mice. NMR Biomed. 2023 Feb;36(2):e4837. doi: 10.1002/nbm.4837. Epub 2022 Oct 22. PMID: 36151589; PMCID: PMC9845176.
Harrabi R, Halbritter T, Alarab S, Chatterjee S, Wolska-Pietkiewicz M, Damodaran KK, van Tol J, Lee D, Paul S, Hediger S, Sigurdsson ST, Mentink-Vigier F, De Paëpe G. AsymPol-TEKs as efficient polarizing agents for MAS-DNP in glass matrices of non-aqueous solvents. Phys Chem Chem Phys. 2024 Feb 7;26(6):5669-5682. doi: 10.1039/d3cp04271e. PMID: 38288878; PMCID: PMC10849081.
Corti L, Hung I, Venkatesh A, Gor’kov PL, Gan Z, Claridge JB, Rosseinsky MJ, Blanc F. Local Structure in Disordered Melilite Revealed by Ultrahigh Field 71Ga and 139La Solid-State Nuclear Magnetic Resonance. Chemphyschem. 2024 Jan 27:e202300934. doi: 10.1002/cphc.202300934. Epub ahead of print. PMID: 38279668.
Qiang W, Kengwerere MK, Zhao W, Scott FJ, Wutoh-Hughes X, Wang T, Mentink-Vigier F. Heterotypic Interactions between the 40- and 42-Residue Isoforms of β-Amyloid Peptides on Lipid Bilayer Surfaces. ACS Chem Neurosci. 2023 Dec 6;14(23):4153-4162. doi: 10.1021/acschemneuro.3c00523. Epub 2023 Nov 22. PMID: 37991929.
Rushin A, McLeod MA, Ragavan M, Merritt ME. Observing exocrine pancreas metabolism using a novel pancreas perfusion technique in combination with hyperpolarized [1-13 C]pyruvate. Magn Reson Chem. 2023 Dec;61(12):748-758. doi: 10.1002/mrc.5382. Epub 2023 Jul 22. PMID: 37482899; PMCID: PMC10800648.
Poulhazan A, Baer A, Daliaho G, Mentink-Vigier F, Arnold AA, Browne DC, Hering L, Archer-Hartmann S, Pepi LE, Azadi P, Schmidt S, Mayer G, Marcotte I, Harrington MJ. Peculiar Phosphonate Modifications of Velvet Worm Slime Revealed by Advanced Nuclear Magnetic Resonance and Mass Spectrometry. J Am Chem Soc. 2023 Sep 27;145(38):20749-20754. doi: 10.1021/jacs.3c06798. Epub 2023 Sep 18. PMID: 37722679; PMCID: PMC10540779.
TDP1: Probes with HTS coils / HTS cryoprobes
2022
Giacalone AG, *Merritt ME, Ragavan M. (2022) Ex Vivo Hepatic Perfusion through the Portal Vein in Mouse. J Vis Exp. 2022 Mar 9;(181). doi: 10.3791/63154. PMID: 35343950; PMCID: PMC9258001 (available on 2023-03-09).
Johnston, TL, Edison, AS, Ramaswamy, V, Freytag, N, *Merritt, ME, Thomas, JN, Hooker, JW, *Litvak, IM and *Brey, WW. (2022) Application of counter-wound multi-arm spirals in HTS resonator design. IEEE Trans Appl Supercon. 32(4):1500304. doi: 10.1109/tasc.2022.3146109. Epub 2022 Jan 25. PMID: 35449718; PMCID: PMC9017787 (available on 2023-06-01).
Ragavan, M, Mcleod, MA, Rushin, A and *Merritt, ME. (2022) Detecting de novo Hepatic Ketogenesis Using Hyperpolarized [2-13 C] Pyruvate. Front Physiol. Feb 7;13:832403. doi: 10.3389/fphys.2022.832403. PMID: 35197867; PMCID: PMC8859440.
Rahim, M, Ragavan, M, Deja, S, *Merritt, ME, Burgess, SC and Young, JD. (2022) INCA 2.0: A tool for integrated, dynamic modeling of NMR- and MS-based isotopomer measurements and rigorous metabolic flux analysis. Metab Eng. 69, 275-285. doi: 10.1016/j.ymben.2021.12.009. Epub 2021 Dec 26. PMID: 34965470; PMCID: PMC8789327 (available on 2023-01-01).
Thomas JN, Johnston TL, *Litvak IM, Ramaswamy V, *Merritt ME, Rocca JR, Edison AS, *Brey WW. (2022) Implementing High Q-Factor HTS Resonators to Enhance Probe Sensitivity in 13C NMR Spectroscopy. J Phys Conf Ser. 2323(1):012030. doi: 10.1088/1742-6596/2323/1/012030. Epub 2022 Aug 16. PMID: 36187328; PMCID: PMC9524303.
2021
Chen, C, Mahar, R, *Merritt, ME, Denlinger, DL and Hahn, DA. (2021) ROS and hypoxia signaling regulate periodic metabolic arousal during insect dormancy to coordinate glucose, amino acid, and lipid metabolism. Proceedings of the National Academy of Sciences, 118(1). doi: 10.1073/pnas.2017603118. PMID: 33372159; PMCID: PMC7817151.
Mahar, R, Chang, MC and *Merritt, ME. (2021) Measuring NQO1 Bioactivation Using [2H7] Glucose. Cancers, 13(16), 4165. doi: 10.3390/cancers13164165. PMID: 34439319; PMCID: PMC8392257.
Mahar, R, Zeng, H, Giacalone, A, Ragavan, M, Mareci, TH and *Merritt, ME. (2021) Deuterated water imaging of the rat brain following metabolism of [2H7] glucose. Magnetic Resonance in Medicine, 85(6), 3049-3059. doi: 10.1002/mrm.28700. PMID: 33576535; PMCID: PMC7953892.
Ragavan, M, Li, M, Giacalone, AG, Wood, CE, Keller-Wood, M and *Merritt, ME. (2021) Application of Carbon-13 Isotopomer Analysis to Assess Perinatal Myocardial Glucose Metabolism in Sheep. Metabolites 11(1), 33. doi: 10.3390/metabo11010033. PMID: 33466367; PMCID: PMC7824843.
Ragavan, M, McLeod, MA, Giacalone, AG and *Merritt, ME. (2021) Hyperpolarized Dihydroxyacetone Is a Sensitive Probe of Hepatic Gluconeogenic State. Metabolites 11(7), 441. doi: 10.3390/metabo11070441. PMID: 34357335; PMCID: PMC8307483.
Shannon, CE, Ragavan, M, Palavicini, JP, Fourcaudot, M, Bakewell, TM, Valdez, IA, Ayala, I, Jin, ES, Madesh, M, Han, X and *Merritt, ME. (2021) Insulin resistance is mechanistically linked to hepatic mitochondrial remodeling in non-alcoholic fatty liver disease. Molecular metabolism, 45, 101154. doi: 10.1016/j.molmet.2020.101154. PMCID: PMC7811046; PMID: 33359401.
Thomas, JN, Ramaswamy, V, *Litvak, IM, Johnston, TL, Edison, AS and *Brey, WW. (2021) Progress Towards a Higher Sensitivity 13 C-Optimized 1.5 mm HTS NMR Probe. IEEE Transactions on Applied Superconductivity, 31(5), 1-4. doi: 10.1109/tasc.2021.3061042. PMID: 33867781; PMCID: PMC8045891.
2020
Muyyarikkandy, MS, McLeod, M, Maguire, M, Mahar, R, Kattapuram, N, Zhang, C, Surugihalli, C, Muralidaran, V, Vavilikolanu, K, Mathews, CE and *Merritt, ME. (2020) Branched chain amino acids and carbohydrate restriction exacerbate ketogenesis and hepatic mitochondrial oxidative dysfunction during NAFLD. The FASEB Journal, 34(11), 14832-14849. doi: 10.1096/fj.202001495R. PMID: 32918763; PMCID: PMC7716091.
Thomas, J, Ramaswamy, V, Johnston, T, Belc, D, Freytag, N, Hornak, L, Edison, A and *Brey, W. (2020) Modeling the Resonance Shifts Due to Coupling Between HTS Coils in NMR Probes. J Phys Conf Ser. 2020;1559:012022. doi: 10.1088/1742-6596/1559/1/012022. PMID: 33868445; PMCID: PMC8049185.
2019
Amouzandeh, G, Ramaswamy, V, Freytag, N, Edison, AS, Hornak, LA, *Brey, WW, Chen, K, *Gan, Z, Horstmeier, S and White, JL. (2019) Time and frequency domain response of HTS resonators for use as NMR transmit coils. IEEE Trans. Appl. Supercond. 29, 1–5. doi:10.1109/TASC.2019.2902522. PMID: 31857782. PMCID: PMC6921929.
Lee-McMullen, B, Chrzanowski, SM, Vohra, R, Forbes, SC, Vandenborne, K, Edison, AS and Walter, GA. (2019) Age-dependent changes in metabolite profile and lipid saturation in dystrophic mice. NMR Biomed. 32(5), e4075. doi:10.1002/nbm.4075. PMID: 30848538; PMCID: PMC6777843.
Turer, A, Altamirano, F, Schiattarella, GG, May, H, Gillette, TG, Malloy, C and *Merritt, ME. (2019) Remodeling of substrate consumption in the murine sTAC model of heart failure. J. Mol. Cell. Cardiol. 134, 144-153. doi: doi.org/10.1016/j.yjmcc.2019.07.007. PMID: 31340162; PMCID: PMC6704481.
von Morze, C and *Merritt, ME. (2019) Cancer in the crosshairs: targeting cancer metabolism with hyperpolarized carbon‐13 MRI technology. NMR in Biomedicine, 32(10), e3937. doi: 10.1002/nbm.3937. PMID: 29870085; PMCID: PMC6281789.
2018
Bastiaansen, JAM, Yoshihara, HAI, Capozzi, A, Schwitter, J, Gruetter, R, *Merritt, ME and Comment, A. (2018) Probing cardiac metabolism by hyperpolarized 13C MR using an exclusively endogenous substrate mixture and photo-induced nonpersistent radicals. Magn. Reson. Med. 79, 2451–2459. doi:10.1002/mrm.27122. PMID: 29411415; PMCID: PMC5821575.
von Morze, C, Reed, GD, Larson, PE, Mammoli, D, Chen, AP, Tropp, J, Van Criekinge, M, Ohliger, MA, Kurhanewicz, J, Vigneron, DB and *Merritt, ME. (2018) In vivo hyperpolarization transfer in a clinical MRI scanner. Magnetic resonance in medicine, 80(2), 480-487. doi: 10.1002/mrm.27154. PMID: 29488244; PMCID: PMC5910192.
von Morze, C., Tropp, J., Chen, A.P., Marco-Rius, I., Van Criekinge, M., Skloss, T.W., Mammoli, D., Kurhanewicz, J., Vigneron, D.B., Ohliger, M.A. and *Merritt, M.E. (2018) Sensitivity enhancement for detection of hyperpolarized 13C MRI probes with 1H spin coupling introduced by enzymatic transformation in vivo. Magn. Reson. Med. 80, 36–41. doi:10.1002/mrm.27000. PMCID: PMC5876091
Wu, C.-Y., Satapati, S., Gui, W., Wynn, R.M., Sharma, G., Lou, M., Qi, X., Burgess, S.C., Malloy, C., Khemtong, C., Sherry, A.D., Chuang, D.T. and *Merritt, M.E. (2018) A novel inhibitor of pyruvate dehydrogenase kinase stimulates myocardial carbohydrate oxidation in diet-induced obesity. J. Biol. Chem. 293, 9604–9613. doi:10.1074/jbc.RA118.002838. PMCID: PMC6016455. PMID: 29739849
2017
Beg, M.S., Huang, X., Silvers, M.A., Gerber, D.E., Bolluyt, J., Sarode, V., Fattah, F., Deberardinis, R.J., *Merritt, M.E., Xie, X.-J., Leff, R., Laheru, D. and Boothman, D.A. (2017) Using a novel NQO1 bioactivatable drug, beta-lapachone (ARQ761), to enhance chemotherapeutic effects by metabolic modulation in pancreatic cancer. J. Surg. Oncol. 116, 83–88. doi:10.1002/jso.24624. PMCID: PMC5509448.
Silvers, M.A., Deja, S., Singh, N., Egnatchik, R.A., Sudderth, J., Luo, X., Beg, M.S., Burgess, S.C., DeBerardinis, R.J., Boothman, D.A. and *Merritt, M.E. (2017) The NQO1 bioactivatable drug, β-lapachone, alters the redox state of NQO1+ pancreatic cancer cells, causing perturbation in central carbon metabolism. J. Biol. Chem. 292, 18203–18216. doi:10.1074/jbc.M117.813923. PMCID: PMC5672043.
TDP2: Biosolids DNP / MAS-DNP ssNMR
2022
Deligey F, Frank MA, Cho SH, Kirui A, *Mentink-Vigier F, Swulius MT, Nixon BT, Wang T. Structure of In Vitro-Synthesized Cellulose Fibrils Viewed by Cryo-Electron Tomography and 13 C Natural-Abundance Dynamic Nuclear Polarization Solid-State NMR. Biomacromolecules. 2022. Epub 20220326. doi: 10.1021/acs.biomac.1c01674. PubMed PMID: 35341242.
Dubroca, T., *Scott, F. J., Marbey, J., *Mentink-Vigier, F., *Long, J. R. and Hill, S. (2022) Quasi-Optical Method for Measuring Dielectric Properties of Solids and Liquids from 70 to 970GHz. Under Review at Transactions on Microwave Theory and Technique.
Harrabi, R., Halbritter, T., Aussenac, F., Dakhlaoui, O., van Tol, J., Damodaran, K., Lee, D., Paul, S., Hediger, S., *Mentink-Vigier, F., et al. (2022) Highly Efficient Polarizing Agents for MAS-DNP of Proton-dense Molecular Solids. Angew Chem Int Ed Engl. 61(12):e202114103. doi: 10.1002/anie.202114103. Epub 2022 Feb 1. PMID: 35019217; PMCID: PMC8901535.
Holmes, J.B., Liu, V., Caulkins, B.G., Hilario, E., Ghosh, R.K., Drago, V.N., Young, R.P., Romero, J.A., Gill, A.D., Bogie, P.M. and Paulino, J. (2022) Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase α-aminoacrylate intermediate. Proceedings of the National Academy of Sciences, 119(2). DOI: 10.1073/pnas.2109235119 PMID: 34996869 PMCID: PMC8764694.
Kirui A, Zhao W, Deligey F, Yang H, Kang X, *Mentink-Vigier F, Wang T. (2022) Carbohydrate-aromatic interface and molecular architecture of lignocellulose. Nat. Commun. 13(1):538. doi: 10.1038/s41467-022-28165-3. PMID: 35087039; PMCID: PMC8795156.
Kundu K, Dubroca T, Rane V, *Mentink-Vigier F. (2022) Spinning-Driven Dynamic Nuclear Polarization with Optical Pumping. J. Phys. Chem. A. 126(16):2600-2608. doi: 10.1021/acs.jpca.2c01559. Epub 2022 Apr 13. PMID: 35417169
*Mentink-Vigier, F., Rane, V., Dubroca, T. and Kundu, K. (2022) Spinning Driven Dynamic Nuclear Polarization with Optical Pumping. arXiv preprint:2201.05703
*Mentink-Vigier, F., Eddy, S., and Gullion, T. (2022) MAS-DNP enables NMR studies of insect wings. Solid State Nucl Magn Reson. 2022 Nov 14;122:101838. [Epub ahead of print] doi: 10.1016/j.ssnmr.2022.101838. PMID: 36410100; NIHMSID: NIHMS1851791.
*Tran, N. T., *Mentink-Vigier, F., Halbritter, T., Sigurdsson, S. T., Mehta, A. K. and *Long, J. R. (2022) Characterization of helical conformers in a membrane-active amphiphilic peptide by dynamic nuclear polarization-enhanced solid-state NMR spectroscopy. Submitted J Amer Chem Soc.
Wi S, Dwivedi N, Dubey R, *Mentink-Vigier F, Sinha N. (2022) Dynamic nuclear polarization-enhanced, double-quantum filtered 13C-13C dipolar correlation spectroscopy of natural 13C abundant bone-tissue biomaterial. J Magn Reson. 335, 107144. doi: 10.1016/j.jmr.2022.107144. Epub 2022 Jan 13. PMID: 35085899; PMCID: PMC8823282.
2021
*Mentink-Vigier, F. (2021) Numerical recipes for faster MAS-DNP simulations. Journal of Magnetic Resonance, 333, 107106. DOI: 10.1016/j.jmr.2021.107106 PMID: 34837803 PMCID: PMC8639796 (available on 2022-12-01)
*Mentink-Vigier, F., Dubroca, T., Van Tol, J. and Sigurdsson, S.T. (2021) The distance between g-tensors of nitroxide biradicals governs MAS-DNP performance: The case of the bTurea family. Journal of Magnetic Resonance, 329, 107026. DOI: 10.1016/j.jmr.2021.107026 PMID: 34246883 PMCID: PMC8316413 (available on 2022-08-01) NIHMSID: NIHMS1717795
Stern, Q., Cousin, S.F., *Mentink-Vigier, F., Pinon, A.C., Elliott, S.J., Cala, O. and Jannin, S. (2021) Direct observation of hyperpolarization breaking through the spin diffusion barrier. Science Advances, 7(18), eabf5735. doi: 10.1126/sciadv.abf5735 PMCID: PMC8087418 PMID: 33931450
Tiwari, N., Wi, S., *Mentink-Vigier, F. and Sinha, N. (2021) Mechanistic Insights into the Structural Stability of Collagen-Containing Biomaterials Such as Bones and Cartilage. The Journal of Physical Chemistry B, 125(18), 4757-4766. DOI: 10.1021/acs.jpcb.1c01431 PMID: 33929847 PMCID: PMC8151626 (available on 2022-05-13)
Zhao, W., Kirui, A., Deligey, F., *Mentink-Vigier, F., Zhou, Y., Zhang, B. and Wang, T. (2021) Solid-state NMR of unlabeled plant cell walls: high-resolution structural analysis without isotopic enrichment. Biotechnology for Biofuels, 14(1), 1-14. doi: 10.1186/s13068-020-01858-x PMCID: PMC7792314 PMID: 33413580
2020
Chakraborty, A., Deligey, F., Quach, J., *Mentink-Vigier, F., Wang, P. and Wang, T. (2020) Biomolecular complex viewed by dynamic nuclear polarization solid-state NMR spectroscopy. Biochem. Soc. Trans. 48(3):1089-1099. DOI: 10.1042/BST20191084 PMID: 32379300 PMCID: PMC7565284.
*Mentink-Vigier, F. (2020) Optimizing nitroxide biradicals for cross-effect MAS-DNP: the role of g-tensors’ distance. Phys. Chem. Chem. Phys. 22, 3643–3652. DOI: 10.1039/C9CP06201G. PMID: 31998899 PMCID: PMC7088466.
Tran, N.T., *Mentink-Vigier, F. and *Long, J.R. (2020) Dynamic Nuclear Polarization of Biomembrane Assemblies. Biomolecules, 10(9), 1246. doi: 10.3390/biom10091246 PMCID: PMC7565305 PMID: 32867275
2019
Downes, D.P., Collins, J.H., Lama, B., Zeng, H., Nguyen, T., Keller, G., Febo, M. and *Long, J.R. (2019) Characterization of brain metabolism by nuclear magnetic resonance. Chemphyschem: a European journal of chemical physics and physical chemistry, 20(2), 216. DOI: 10.1002/cphc.201800917 PMID: 30536696 PMCID: PMC6501841
Hediger, S., Lee, D., *Mentink‐Vigier, F. and De Paëpe, G. (2019) MAS‐DNP Enhancements: Hyperpolarization, Depolarization, and Absolute Sensitivity. Handbook of High Field Dynamic Nuclear Polarization. eMagRes 7(4), 105–116.
Kang, X., Kirui, A., Dickwella Widanage, M.C., *Mentink-Vigier, F., Cosgrove, D.J. and Wang, T. (2019) Lignin-polysaccharide interactions in plant secondary cell walls revealed by solid-state NMR. Nat. Commun. 10, 347. doi:10.1038/s41467-018-08252-0. PMCID: PMC6341099. PMID: 30664653.
Khattri, R.B., Sirusi, A.A., Suh, E.H., Kovacs, Z. and *Merritt, M.E. (2019) The influence of Ho3+ doping on 13C DNP in the presence of BDPA. Phys. Chem. Chem. Phys. 21(34), 18629-18635. DOI: 10.1039/c9cp03717a PMID: 31414686; PMCID: PMC7290917
Kirui, A., Ling, Z., Kang, X., Dickwella Widanage, M.C., *Mentink-Vigier, F., French, A.D. and Wang, T. (2019) Atomic resolution of cotton cellulose structure enabled by dynamic nuclear polarization solid-state NMR. Cellulose 26, 329–339. doi:10.1007/s10570-018-2095-6
Kundu, K., *Mentink-Vigier, F., Feintuch, A. and Vega, S. (2019) Chapter 2: DNP Mechanisms. Handbook of High Field Dynamic Nuclear Polarization. eMagRes 8, 295-337. DOI: 10.1002/9780470034590.emrstm1550
*Mentink-Vigier, F., Barra, A.-L., van Tol, J., Hediger, S., Lee, D. and De Paëpe, G. (2019) De novo prediction of cross-effect efficiency for magic angle spinning dynamic nuclear polarization. Phys. Chem. Chem. Phys. 21, 2166–2176. doi:10.1039/c8cp06819d. PMCID: PMC6363113. NIHMSID: NIHMS1006788 PMID: 30644474
Wang, X., Caulkins, B.G., Riviere, G., Mueller, L.J., *Mentink-Vigier, F. and *Long, J.R. (2019) Direct dynamic nuclear polarization of 15N and 13C spins at 14.1 T using a trityl radical and magic angle spinning. Solid State Nucl. Magn. Reson. 100, 85–91. doi:10.1016/j.ssnmr.2019.03.009. PMID: 31026722 PMCID: PMC6604067
Zhang, L., Gao, C., *Mentink-Vigier, F., Tang, L., Zhang, D., Wang, S., Cao, S., Xu, Z., Liu, X., Wang, T., Zhou, Y. and Zhang, B. (2019) Arabinosyl deacetylase modulates the arabinoxylan acetylation profile and secondary wall formation. Plant Cell. doi:10.1105/tpc.18.00894. PMID: 30886126. PMCID: PMC6533017.
Zhao, E.W., Maligal-Ganesh, R., *Mentink-Vigier, F., Zhao, T.Y., Du, Y., Pei, Y., Huang, W. and Bowers, C.R. (2019) Atomic-Scale Structure of Mesoporous Silica-Encapsulated Pt and PtSn Nanoparticles Revealed by Dynamic Nuclear Polarization-Enhanced 29Si MAS NMR Spectroscopy. J. Phys. Chem. C 123, 7299–7307. doi:10.1021/acs.jpcc.9b01782.
2018
Cao, W., Wang, W.D., Xu, H.-S., Sergeyev, I.V., Struppe, J., Wang, X., *Mentink-Vigier, F., *Gan, Z., Xiao, M.-X., Wang, L.-Y., Chen, G.-P., Ding, S.-Y., Bai, S. and Wang, W. (2018) Exploring applications of covalent organic frameworks: homogeneous reticulation of radicals for dynamic nuclear polarization. J. Am. Chem. Soc. 140, 6969–6977. doi:10.1021/jacs.8b02839. PMCID: PMC6045815. NIHMSID: NIHMS976756 PMID: 29799739
Chen, C.-H., Shimon, D., Lee, J.J., *Mentink-Vigier, F., Hung, I., Sievers, C., Jones, C.W. and Hayes, S.E. (2018) The “missing” bicarbonate in CO2 chemisorption reactions on solid amine sorbents. J. Am. Chem. Soc. 140, 8648–8651. doi:10.1021/jacs.8b04520. PMCID: PMC6069596. NIHMSID: NIHMS981570 PMID: 29947515
Dubroca, T., Smith, A.N., Pike, K.J., Froud, S., Wylde, R., Trociewitz, B., McKay, J., *Mentink-Vigier, F., van Tol, J., Wi, S., *Brey, W., *Long, J.R., Frydman, L. and Hill, S. (2018) A quasi-optical and corrugated waveguide microwave transmission system for simultaneous dynamic nuclear polarization NMR on two separate 14.1 T spectrometers. J. Magn. Reson. 289, 35–44. doi:10.1016/j.jmr.2018.01.015. PMID: 29459343 PMCID: PMC5978701.
Kang, X., Kirui, A., Muszyński, A., Widanage, M.C.D., Chen, A., Azadi, P., Wang, P., *Mentink-Vigier, F. and Wang, T. (2018) Molecular architecture of fungal cell walls revealed by solid-state NMR. Nat. Commun. 9(1), 1-12. doi:10.1038/s41467-018-05199-0. PMCID: PMC6048167. PMID: 30013106.
*Mentink-Vigier, F., Marin-Montesinos, I., Jagtap, A.P., Halbritter, T., van Tol, J., Hediger, S., Lee, D., Sigurdsson, S.T. and De Paëpe, G. (2018) Computationally assisted design of polarizing agents for dynamic nuclear polarization enhanced NMR: the asympol family. J. Am. Chem. Soc. 140, 11013–11019. doi:10.1021/jacs.8b04911. PMCID: PMC6145599. PMID: 30095255
Wang, X., McKay, J.E., Lama, B., van Tol, J., Li, T., Kirkpatrick, K., *Gan, Z., Hill, S., *Long, J.R. and Dorn, H.C. (2018) Gadolinium based endohedral metallofullerene Gd2@C79N as a relaxation boosting agent for dissolution DNP at high fields. Chem. Commun. 54, 2425–2428. doi:10.1039/c7cc09765d. PMID: 29457159.
2017
DeHaven, B.A., Tokarski, J.T., Korous, A.A., *Mentink-Vigier, F., Makris, T.M., Brugh, A.M., Forbes, M.D.E., van Tol, J., Bowers, C.R. and Shimizu, L.S. (2017) Persistent Radicals of Self-assembled Benzophenone bis-Urea Macrocycles: Characterization and Application as a Polarizing Agent for Solid-state DNP MAS Spectroscopy. Chem. Eur. J. 23, 8315–8319. doi:10.1002/chem.201701705. PMCID: PMC5724385. NIHMSID: NIHMS922931 PMID: 28423212
TDP3: 1.5 GHz SCH NMR Spectrometer
2022
Altenhof, A.R., *Gan, Z. and *Schurko, R. (2022) Reducing the Effects of Weak Homonuclear Dipolar Coupling with CPMG Pulse Sequences for Static and Spinning Solids. Submitted J. Magn. Reson.
Altenhof, A.R., Jaroszewicz, M., Frydman, L. and *Schurko, R. (2022) 3D Relaxation-Assisted Separation of wideline solid-state NMR patterns for achieving site resolution. Submitted J. Amer. Chem. Soc.
Meirovitch E, Liang Z, *Schurko R, W, Loeb SJ, Freed J. Structural Dynamics by NMR in the Solid-State: II. The MOMD Perspective of the Dynamic Structure of Metal- Organic Frameworks Comprising Several Mobile Components. Under Review J Phys Chem. 2022.
Shekar SC, Zhao W, Fernando LD, *Hung I, Wang T. A 13C three-dimensional DQ-SQ-SQ correlation experiment for high-resolution analysis of complex carbohydrates using solid-state NMR. J Magn Reson. 2022;336:107148. Epub 20220121. doi: 10.1016/j.jmr.2022.107148. PubMed PMID: 35121490.
Vojvodin CS, Holmes ST, Watanabe, K L, Rawson JM, *Schurko RW. (2022) Multi-Component Crystals Containing Urea: Mechanochemical Synthesis and Characterization by 35Cl Solid-State NMR Spectroscopy and DFT Calculations. Tentatively Accepted Cryst Eng Comm. 2022.
Wright, A.K., *Paulino, J. and *Cross, T.A. (2022) Emulating Membrane Protein Environments─How Much Lipid Is Required for a Native Structure: Influenza S31N M2. J. Am. Chem. Soc. 144(5):2137-2148. doi: 10.1021/jacs.1c10174. Epub 2022 Jan 28. PMID: 35089701.
Zhang, R., *Cross, T.A. and Fu, R. (2022) Detecting water-protein chemical exchange in membrane-bound proteins/peptides by solid-state NMR spectroscopy: Dedicated to Professor Xiuwen Han on the occasion of her 80th birthday. Magnetic Resonance Letters 1(2), 99-111.
Zhang R, *Cross TA, Peng X, Fu R. Surprising Rigidity of Functionally Important Water Molecules Buried in the Lipid Headgroup Region. J Am Chem Soc. 2022;144(17):7881-8. Epub 20220419. doi: 10.1021/jacs.2c02145. PubMed PMID: 35439409.
2021
Chen, C.H., *Mentink-Vigier, F., Trébosc, J., Goldberga, I., Gaveau, P., Thomassot, E., Iuga, D., Smith, M.E., Chen, K., *Gan, Z. and Fabrègue, N. (2021) Labeling and probing the silica surface using mechanochemistry and 17O NMR spectroscopy. Chemistry A European Journal. DOI: 10.1002/chem.202101421PMID: 34131984 PMCID: PMC8410671 NIHMSID: NIHMS1716552
Chen, K., *Gan, Z., Horstmeier, S. and White, J.L. (2021) Distribution of Aluminum Species in Zeolite Catalysts: 27Al NMR of Framework, Partially-Coordinated Framework, and Non-Framework Moieties. Journal of the American Chemical Society, 143(17), 6669-6680. doi: 10.1021/jacs.1c02361 PMCID: PMC8212420 NIHMSID: NIHMS1706040 PMID: 33881305
Gao, W., Qi, G., Wang, Q., Wang, W., Li, S., *Hung, I., *Gan, Z., Xu, J. and Deng, F. (2021) Dual Active Sites on Molybdenum/ZSM‐5 Catalyst for Methane Dehydroaromatization: Insights from Solid‐State NMR Spectroscopy. Angewandte Chemie International Edition, 60(19), 10709-10715. DOI: 10.1002/anie.202017074 PMID: 33751737 PMCID: PMC8284829 NIHMSID: NIHMS1684100
*Hung, I., Altenhof, A.R., *Schurko, R.W., Bryce, D.L., Han, O.H. and *Gan, Z. (2021) Field‐stepped ultra‐wideline NMR at up to 36 T: On the inequivalence between field and frequency stepping. Magnetic Resonance in Chemistry. doi: 10.1002/mrc.5128 PMCID: PMC8239055 NIHMSID: NIHMS1705706 PMID: 33373086
Jakobsen, H.J., Bildsøe, H., Bondesgaard, M., Iversen, B.B., Brorson, M., Larsen, F.H., *Gan, Z. and *Hung, I. (2021) Exciting Opportunities for Solid-State 95Mo NMR Studies of MoS2 Nanostructures in Materials Research from a Low to an Ultrahigh Magnetic Field (35.2 T). The Journal of Physical Chemistry C, 125(14), 7824-7838. doi: 10.1021/acs.jpcc.0c10522 PMCID: PMC8276973 NIHMSID: NIHMS1706497 PMID: 34262634
Lin, B., *Hung, I., *Gan, Z., Chien, P.H., Spencer, H.L., Smith, S.P. and Wu, G. (2021) 17O NMR studies of yeast ubiquitin in aqueous solution and in the solid state. Chembiochem: a European journal of chemical biology, 22(5), 826. doi: 10.1002/cbic.202000659 PMCID: PMC8175035 NIHMSID: NIHMS1705759 PMID: 33058374
Martins, V., Xu, J., *Hung, I., *Gan, Z., Gervais, C., Bonhomme, C. and Huang, Y. (2021) 17O solid‐state NMR at ultrahigh magnetic field of 35.2 T: Resolution of inequivalent oxygen sites in different phases of MOF MIL‐53 (Al). Magnetic Resonance in Chemistry. DOI: 10.1002/mrc.5122 PMID: 33305447 NIHMSID: NIHMS1705749 PMCID: PMC8192589
Wang Z, Chen K, Jiang Y, Trébosc J, Yang W, Amoureux JP, *Hung I, *Gan Z, Baiker A, Lafon O, Huang J. (2021) Revealing Brønsted Acidic Bridging SiOHAl Groups on Amorphous Silica-Alumina by Ultrahigh Field Solid-State NMR. J Phys Chem Lett. 2021 Dec 2;12(47):11563-11572. Epub 2021 Nov 22. doi: 10.1021/acs.jpclett.1c02975. PMID: 34806885; PMCID: PMC9162276.
2020
Chen, C.-H., Gaillard, E., *Mentink-Vigier, F., Chen, K., *Gan, Z., Gaveau, P., Rebière, B., Berthelot, R., Florian, P., Bonhomme, C., Smith, M.E., Métro, T.-X., Alonso, B. and Laurencin, D. (2020) Direct 17O Isotopic Labeling of Oxides Using Mechanochemistry. Inorg. Chem. 2020. DOI: 10.1021/acs.inorgchem.0c00208. PMID: 32167301. PMCID: PMC7487002.
Chen, K., Horstmeier, S., Nguyen, V. T., Wang, B., Crossley, S. P., Pham, T., *Gan, Z., *Hung, I. and White, J. L. (2020) Structure and Catalytic Characterization of a Second Framework Al(IV) Site in Zeolite Catalysts Revealed by NMR at 35.2 T. J. Am. Chem. Soc. 142(16), 7514-7523. DOI: 10.1021/jacs.0c00590 PMID: 32233465 PMCID: PMC7269371
Dorn, R.W., Cendejas, M.C., Chen, K., *Hung, I., Altvater, N.R., McDermott, W.P., *Gan, Z., Hermans, I. and Rossini, A.J. (2020) Structure Determination of Boron-Based Oxidative Dehydrogenation Heterogeneous Catalysts with Ultrahigh Field 35.2 T 11B Solid-State NMR Spectroscopy. ACS Catalysis, 10(23), 13852-13866. DOI: 10.1021/acscatal.0c03762 PMCID: PMC8372215 NIHMSID: NIHMS1705753, PMID: 34413990
Madsen, R.S.K., Qiao, A., Sen, J., *Hung, I., Chen, K., *Gan, Z., Sen., S. and Yue, Y. (2020) Ultrahigh-field 67Zn NMR reveals short-range disorder in zeolitic imidazolate framework glasses Science 367(6485), 1473-1476. DOI: 10.1126/science.aaz0251 PMID: 32217725 PMCID: PMC7325427
Martins, V., Xu, J., Wang, X., Chen, K., *Hung, I., *Gan, Z., Gervais, C., Bonhomme, C., Jiang, S., Zheng, A. and Lucier, B.E. (2020) Higher magnetic fields, finer MOF structural information: 17O solid-state NMR at 35.2 T. Journal of the American Chemical Society, 142(35), 14877-14889. doi: 10.1021/jacs.0c02810 PMCID: PMC8175036 NIHMSID: NIHMS1705751 PMID: 32786791
Mayen, L., Jensen, N.D., Laurencin, D., Marsan, O., Bonhomme, C., Gervais, C., Smith, M.E., Coelho, C., Laurent, G., Trebosc, J., *Gan, Z., Chen, K., Rey, C., Combes, C. and Soulié, J. (2020) A soft-chemistry approach to the synthesis of amorphous calcium ortho/pyrophosphate biomaterials of tunable composition Acta Biomater. 103, 333-345. DOI: 10.1016/j.actbio.2019.12.027 PMID: 31881314 PMCID: PMC7286349
*Paulino, J., Yi, M., *Hung, I., *Gan, Z., Wang, X., Chekmenev, E. Y., Zhou, H. X. and *Cross, T. A. (2020) Functional Stability of Water Wire-Carbonyl Interactions in an Ion Channel. Proc. Natl. Acad. Sci. USA 117(22), 11908-11915. DOI: 10.1073/pnas.2001083117 PMID: 32414918 PMCID: PMC7275723
Shen, L., Wang, Y., Du, J.-H., Chen, K., Lin, Z., Wen, Y., *Hung, I., *Gan, Z. and Peng, L. (2020) Probing Interactions of γ-Alumina with Water via Multinuclear Solid-State NMR Spectroscopy ChemCatChem. 12(6), 1569-1574. DOI: 10.1002/cctc.201901838 PMID: 34168686. PMCID: PMC8221244.
Špačková, J., Fabra, C., Mittelette, S., Gaillard, E., Chen, C.H., Cazals, G., Lebrun, A., Sene, S., Berthomieu, D., Chen, K. and *Gan, Z. (2020) Unveiling the Structure and Reactivity of Fatty-Acid Based (Nano) materials Thanks to Efficient and Scalable 17O and 18O-Isotopic Labeling Schemes. Journal of the American Chemical Society, 142(50), 21068-21081. DOI: 10.1021/jacs.0c09383 PMID: 33264006 PMCID: PMC7877562
Sprague-Piercy, M.A., Bierma, J.C., Crosby, M.G., Carpenter, B.P., Takahashi, G.R., *Paulino, J., *Hung, I., Zhang, R., Kelly, J.E., Kozlyuk, N. and Chen, X. (2020) The Droserasin 1 PSI: a membrane-interacting antimicrobial peptide from the carnivorous plant Drosera capensis. Biomolecules, 10(7), 1069. doi: 10.3390/biom10071069 PMCID: PMC7407137 PMID: 32709016
Wang, Q., Li, W., *Hung, I., *Mentink-Vigier, F., Wang, X., Qi, G., Wang, X., *Gan, Z., Xu, J. and Deng, F. (2020) Mapping the oxygen structure of γ-Al2O3 by high-field solid-state NMR spectroscopy. Nature communications, 11(1), 1-9. doi: 10.1038/s41467-020-17470-4 PMCID: PMC7367832 PMID: 32680993
2019
Bryce, D.L. (2019) New frontiers for solid-state NMR across the periodic table: a snapshot of modern techniques and instrumentation. Dalton Transactions, 48(23), 8014-8020. DOI: 10.1039/c9dt01801h PMID: 31184347
Keeler, E.G., Michaelis, V.K., Wilson, C.B., *Hung, I., Wang, X., *Gan, Z., Griffin, R.G. (2019) High-Resolution 17O NMR Spectroscopy of Structural Water. J. Phys. Chem. B 123(14), 3061–3067. doi:10.1021/acs.jpcb.9b02277. PMID: 30882222. PMCID: PMC6689193.
*Litvak, I.M., Griffin, A., *Paulino, J., Mao, W., *Gor’kov, P., Shetty, K.K., *Brey, W.W. (2019) Achieving 1 ppm field homogeneity above 24 T: Application of differential mapping for shimming Keck and the Series Connected Hybrid Magnets at the NHMFL. J. Magn. Reson. 301, 109-118. doi:10.1016/j.jmr.2019.03.002. PMCID: PMC6474693.
*Paulino, J., Pang, X., *Hung, I., Zhou, H.X. and *Cross T.A. (2019) Influenza A M2 Channel Clustering at High Protein/Lipid Ratios: Viral Budding Implications. Biophys. Journal 116(6), 1075-1084. DOI: 10.1016/j.bpj.2019.01.042. PMID: 30819568 PMCID: PMC6428927.
2018
Bird, M.D., *Brey, W.W., *Cross, T.A., Dixon, I.R., Griffin, A., Hannahs, S.T., Kynoch, J., *Litvak, I.M., *Schiano, J.L. and Toth, J. (2018) Commissioning of the 36 T Series-Connected Hybrid Magnet at the NHMFL. IEEE Trans. Appl. Supercond. 28, 1–6. doi:10.1109/TASC.2017.2781727
Bonhomme, C., Wang, X., *Hung, I., *Gan, Z., Gervais, C., Sassoye, C., Rimsza, J., Du, J., Smith, M.E., Hanna, J.V., Sarda, S., Gras, P., Combes, C. and Laurencin, D. (2018) Pushing the limits of sensitivity and resolution for natural abundance 43Ca NMR using ultra-high magnetic field (35.2 T). Chem. Commun. 54, 9591–9594. doi:10.1039/c8cc05193c. PMID: 30094425.
*Gan, Z., *Hung, I., Nishiyama, Y., Amoureux, J.-P., Lafon, O., Nagashima, H., Trébosc, J. and Hu, B. (2018) 14N overtone nuclear magnetic resonance of rotating solids. J. Chem. Phys. 149, 064201. doi:10.1063/1.5044653. PMID: 30111134.
Shen, J., Terskikh, V., Wang, X., *Hung, I., *Gan, Z. and Wu, G. (2018) A Quadrupole-Central-Transition 17O NMR Study of Nicotinamide: Experimental Evidence of Cross-Correlation between Second-Order Quadrupolar Interaction and Magnetic Shielding Anisotropy. J. Phys. Chem. B 122, 4813–4820. doi:10.1021/acs.jpcb.8b02417. PMID: 29683675.
2017
Bird MD, *Brey WW, *Cross TA, Dixon IR, Griffin A, Hannahs ST, Kynoch J, *Litvak IM, *Schiano JL, Toth J. Commissioning of the 36 T series-connected hybrid magnet at the NHMFL. IEEE Trans Appl Supercond. 2017;28(3):1-6.
*Gan, Z., *Hung, I., Wang, X., *Paulino, J., Wu, G., *Litvak, I.M., *Gor’kov, P.L., *Brey, W.W., Lendi, P., *Schiano, J.L., Bird, M.D., Dixon, I.R., Toth, J., Boebinger, G.S. and *Cross, T.A. (2017) NMR spectroscopy up to 35.2T using a series-connected hybrid magnet. J. Magn. Reson. 284, 125–136. doi:10.1016/j.jmr.2017.08.007. PMCID: PMC5675800.
Keeler, E.G., Michaelis, V.K., Colvin, M.T., *Hung, I., *Gor’kov, P.L., *Cross, T.A., *Gan, Z. and Griffin, R.G. (2017) 17O MAS NMR correlation spectroscopy at high magnetic fields. J. Am. Chem. Soc. 139(49), 17953–17963. doi:10.1021/jacs.7b08989. PMID: 29111706.
2016
Szell, P.M.J. and Bryce, D.L. (2016) Solid-state nuclear magnetic resonance and nuclear quadrupole resonance as complementary tools to study quadrupolar nuclei in solids. Concepts Magn. Reson. Part A 45A, e21412. doi:10.1002/cmr.a.21412