Hilty Lab

Publications

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105. Pham, P., Biswas, O. and Hilty, C. Parahydrogen Polarization in Reverse Micelles and Application to Sensing of Protein-Ligand Binding J. Am. Chem. Soc. doi:10.1021/jacs.4c13177. (article, web: December 9, 2024)

Illustration of parahydrogen polarization in reverse micelles

104. Zhang, Z., Savukov, I.* and Hilty, C.* Large Faraday rotation in pyrolysis synthesized carbon dots. Carbon 233 5063–5066 (2024). (article, web: December 4, 2024)

Illustration of Faraday rotation by carbon dots

103. Pradhan, N. and Hilty, C. Cross-Polarization of Insensitive Nuclei from Water Protons for Detection of Protein–Ligand Binding. J. Am. Chem. Soc. 146(36) 24754–24758 (2024). (article, web: September 3, 2024)

Illustration of polarization transfer from water to a ligand of a protein

102. Qi, C., Mankinen, O.*, Telkki, V.V. and Hilty, C.* Measuring Protein–Ligand Binding by Hyperpolarized Ultrafast NMR. J. Am. Chem. Soc. 146(8) 5063–5066 (2024). (article, web: February 19, 2024)

Illustration of spin echoes for ultrafast chemical shift - T2 relaxation correlation

101. Pham, P. and Hilty, C. R₂ Relaxometry of SABRE Hyperpolarized Substrates at Low Magnetic Field. Anal. Chem. 95(46) 16911–16917 (2023). (article, web: November 6, 2023)

Schematic of low field / high field relaxation and iridium complex

100. Zhang, Z., Gautam, A., Lim, S.M. and Hilty, C. Analysis of Large Data Sets in a Physical Chemistry Laboratory NMR Experiment using Python. J. Chem. Ed. 100(10), 4109–4113 (2023). (article, web: September 19, 2023)

Schematic of interactions between protein and ligands

99. Zhang, Z. and Hilty, C. Substrate Interaction of Graphene Quantum Dots in Solution Studied by Hyperpolarized NMR Carbon 215, 118446 (2023). (article, web: September 10, 2023)

Schematic of signals from bicarbonate species

98. Pham, P. and Hilty, C. Biomolecular interactions studied by low-field NMR using SABRE hyperpolarization. Chem. Sci. 14, 10258-10263 (2023). (article, web: September 1, 2023)

97. Mandal, R., Pham, P. and Hilty, C. Screening of Protein-Ligand Binding using a SABRE Hyperpolarized Reporter. Anal. Chem. 94, 32, 11375–11381 (2022). (article, web: August 3, 2022)

96. Hilty, C.*, Kurzbach, D.* and Frydman, L.* Hyperpolarized water as universal sensitivity booster in biomolecular NMR. Nat. Protoc. doi: https://doi.org/10.1038/s41596-022-00693-8 (2022). (article, web: May, 11 2022)

95. Hu, J., Kim, J. and Hilty, C. Detection of Protein-Ligand Interactions by ¹⁹F Nuclear Magnetic Resonance Using Hyperpolarized Water. J. Phys. Chem. Lett. 13:3819-3823 (2022). (article, web: April, 24 2022)

Schematic of interactions measured by 19F nuclear magnetic resonance using hyperpolarized water

94. Pham, P., Mandal, R., Qi., C. and Hilty, C. Interfacing Liquid State Hyperpolarization Methods with NMR Instrumentation. J. Magn. Reson. Open doi: https://doi.org/10.1016/j.jmro.2022.100052 (2022). (article, web: March 10, 2022)

Schematic of hyperpolarization methods with NMR instrumentation

93. Jaroszewicz, M.J., Liu, M., Kim, J., Zhang, G., Kim, Y., Hilty, C.* and Frydman, L.* Time- and site-resolved kinetic NMR for real-time monitoring of off-equilibrium reactions by 2D spectrotemporal correlations Nat. Commun. 13:833 (2022). (article, web: Feb 11, 2022)

92. Qi, C., Wang, Y. and Hilty, C. Application of Relaxation Dispersion of Hyperpolarized ¹³C Spins to Protein-Ligand Binding. Angew. Chem. Int. Ed. 60(45): 24018-24021 (2021). (article, web: Sep. 1, 2021)

91. Mandal, R., Pham, P. and Hilty, C. Characterization of protein–ligand interactions by SABRE. Chem. Sci. 12(39): 12950-12958 (2021). (article, web: Aug. 31, 2021).
This article is part of the 2021 Chemical Science HOT Article Collection

Schematic of experiment for determining protein-ligand interaction

90. Kim, J., Mandal, R. and Hilty, C. 2D NMR Spectroscopy of Refolding RNase Sa using Polarization Transfer from Hyperpolarized Water. J. Magn. Reson. 326:106942 (2021). (article, web: Feb. 18, 2021)

Schematic of enhanced NMR spectra of refolding protein

89. Zhu, Y., Hilty, C.* and Savukov, I.* Dynamic Nuclear Polarization Enhanced Nuclear Spin Optical Rotation. Angew. Chem. Int. Ed. 60(16): 8823-8826 (2021). (article, web: Jan. 18, 2021)
This article has been designated a "Hot Paper" by the journal.

Schematic of DNP-NMR elucidation polymerization reaction

88. Kim, Y., Samouei, H. and Hilty, C. Polyolefin Catalysis of Propene, 1-Butene and Isobutene Monitored Using Hyperpolarized NMR. Chem. Sci. 12(8): 2823-2828 (2021). (article, web: Jan. 4, 2021)

Schematic of Polyolefin Catalysis of Propene, 1-Butene and Isobutene Monitored Using Hyperpolarized NMR.

87. Kim, Y., Kubena, R., Axtell, J., Samouei, H., Pham, P., Stauber, J., Spokoyny, A.* and Hilty, C.* Dynamic Nuclear Polarization using 3D Aromatic Boron Cluster Radicals. J. Phys. Chem. Lett. 12(1): 13-18 (2021). (article, web: Dec. 9, 2020)

Schematic of Dynamic Nuclear Polarization Using 3D Aromatic Boron Cluster Radicals

86. Pham, P. and Hilty, C. Tunable iridium catalyst designs with bidentate N-heterocyclic carbene ligands for SABRE hyperpolarization of sterically hindered substrates. Chem. Commun. 56(98): 15466-15469 (2020). (article, web: Nov. 18, 2020)

Schematic of tunable iridium catalyst designs with bidentate N-heterocyclic carbene ligand

85. Kim, J., Kim, Y., Luu, Q.S., Kim, J., Qi, C., Hilty, C.* and Lee, Y.* Indirect detection of intermediate in decarboxylation reaction of phenylglyoxylic acid by hyperpolarized ¹³C NMR. Chem. Commun. 56(95): 15000-15003 (2020). (article, web: Nov. 8, 2020)

Schematic of Indirect detection of intermediate in decarboxylation reaction of phenylglyoxylic acid by hyperpolarized 13C NMR

84. Wang, Y. and Hilty, C. Amplification of Nuclear Overhauser Effect by Hyperpolarization for Screening of Ligand Binding to Immobilized Target Proteins. Anal. Chem. 92(20): 13718-13723 (2020). (article, web: Sep. 8, 2020)

Schematic of Amplification of Nuclear Overhauser Effect Signals by hyperpolarization for Screening of Ligand Binding Immobilized Target Proteins

83. Mandal, R., Pham, P. and Hilty, C. Nuclear Spin Hyperpolarization of NH₂ and CH₃-Substituted Pyridine and Pyrimidine Moieties by SABRE. ChemPhysChem 21(19): 2166-2172 (2020). (article, web: Aug. 12, 2020)

Schematic of nuclear spin hyperpolarization of NH2 and CH3 Substituted Pyridine and Pyrimidine Moieties by SABRE.

82. Kim, J., Mandal, R. and Hilty, C. Characterization of Membrane Protein-Lipid Interactions in Unfolded OmpX with Enhanced Time Resolution by Hyperpolarized NMR. ChemBioChem 21(19): 2861-2867 (2020). (article, web: May 17, 2020)

Schematic of Characterization of Mebrance Protein-Lipid Interactions in Unfolded OmpX with Enchanced Time Resolution by Hyperpolarized NMR.

81. Wang, Y., Kim, J. and Hilty, C. Determination of protein-ligand binding modes using fast multi-dimensional NMR with hyperpolarization. Chem. Sci. 11(23):5935-5943 (2020). (article, web: May 6, 2020).
This article is part of the 2020 Chemical Science HOT Article Collection

Schematic of Determination of protein-ligand binding modes using fast multi-dimensional NMR with hyperpolarization

80. Kim, J., Mandal, R. and Hilty, C. Observation of Fast Two-Dimensional NMR Spectra during Protein Folding Using Polarization Transfer from Hyperpolarized Water. J. Phys. Chem. Lett. 10(18): 5463-5467 (2019). (article, web: Aug 23, 2019)

Schematic of Observation of fast two-dimenstional NMR Spectra during protein folding using polarization transfer from hyperpolarized water

79. Savukov, I., Filin, D., Zhu, Y., Castro, R. and Hilty, C. Calculations of neon nuclear-spin optical rotation, Verdet and hyperfine constants with configuration-interaction many-body perturbation theory. Eur. Phys. J. D 73(156): 2419-2427 (2019). (article, web: Jul 25, 2019)

Schematic of Calculations of neon nuclear-spin optical rotation, verdet and hyperfine constants with configuration-interaction many-body perturbation theory

78. Wang, Y. and Hilty, C. Determination of Ligand Binding Epitope Structures Using Polarization Transfer from Hyperpolarized Ligands. J. Med. Chem. 62(5): 2419-2427 (2019). (article, web: Feb 4, 2019)

Schematic of Determination of Ligand Binding Epitope Structures Using Polarization Transfer from Hyperpolarized Ligands

77. Kim, Y. and Hilty, C. Applications of Dissolution-DNP for NMR Screening. In: Wand, J. (ed) Methods in Enzymology, Biological NMR Part B, Volume 615, 501-526 (2019). ISSN 0076-6879. (article, web: Dec. 4, 2018)

Schematic of Applications of Dissolution DNP for NMR Screening

76. Zhang, G., Ahola, S., Lerche, M., Telkki, V.V. and Hilty, C. Identification of Intra- and Extracellular Metabolites in Cancer Cells Using ¹³C Hyperpolarized Ultrafast Laplace NMR. Anal. Chem. 90(18): 11131-11137 (2018). (article, web: Aug 20, 2018)

Schematic of the identification of Intra and Extracellular Metabolites in Cancer Cells using 13C Hyperpolarized Ultrafast Laplace NMR

75. Kim, Y.,Liu, M., and Hilty, C. Determination of binding affinities using hyperpolarized NMR with simultaneous 4-channel detection. J. Magn. Reson. 295: 80-86 (2018). (article, web: Aug 13, 2018)

Schematic of determination of binding affinities using hyperpolarized NMR with simultaneous 4 channel detection

74. King, J.N., Fallorina, A., Yu, J., Zhang, G., Telkki, V.V., Hilty, C. and Meldrum, T. Probing molecular dynamics with hyperpolarized ultrafast Laplace NMR using a low-field, single-sided magnet. Chem. Sci. 9: 6143-6149 (2018). (article, web: June 28, 2018)

Schematic of Probing molecular dynamics with hyperpolarized ultrafast Laplace NMR using a low field single sided magnet

73. Zhu, Y., Gao, Y., Rodocker, S., Savukov, I. and Hilty, C. Multinuclear Detection of Nuclear Spin Optical Rotation at Low Field. J. Phys. Chem. Lett. 9(12): 3323-3327 (2018). (article, web: May 22, 2018)

Schematic of Multinuclear Detection of Nuclear Spin Optical Rotation at low field

72. Liu, M., Zhang, G., Mahanta, N., Lee, Y. and Hilty, C. Measurement of Kinetics and Active Site Distances in Metalloenzyme
Using Paramagnetic NMR with ¹³C Hyperpolarization. J. Phys. Chem. Lett. 9(9): 2218-2221 (2018). (article, web: April 6, 2018)

Schematic of Measurement of Kinetics and Active Site Distances in Metalloenzyme using paramagnetic NMR with 13C hyperpolarization

71. Kim, Y., Chen, C.H. and Hilty, C. Direct observation of Ru-alkylidene forming into ethylene in ring-closing metathesis from hyperpolarized ¹H NMR. Chem. Commun. 54: 4333-4336 (2018). (article, web: April 6, 2018)

Schematic of Direct Observation of RU-alkylidene forming into ethylene in ring-closing metathesis from hyperpolarized 1H NMR

70. Zhang, G. and Hilty, C. Applications of Dissolution Dynamic Nuclear Polarization in Chemistry and Biochemistry. Magn. Reson. Chem. 56(7): 566-582 (2018). (article, web: March 30, 2018)

Schematic of applications of dissolution dynamic nuclear polarization in chemistry and biochemistry

69. Chen, C.H., Wang Y. and Hilty, C. Intermolecular Interactions Determined by NOE Build-up in Macromolecules from Hyperpolarized Small Molecules. Methods 138-139: 69-75 (2018). (article, web: February 19, 2018)

68. Liu, M. and Hilty, C. Metabolic Measurements of Nonpermeating Compounds in Live Cells Using Hyperpolarized NMR. Anal. Chem. 90(2): 1217-1222 (2018). (article, web: Dec 11, 2017)

Schematic of Metabolic Measurments of Nonpermeating Compounds in Live Cells Using Hyperpolarized NMR

67. Liu, M., Kim, Y. and Hilty, C. Characterization of Chemical Exchange Using Relaxation Dispersion of Hyperpolarized Nuclear Spins. Anal. Chem. 89(17): 9154-9158 (2017). (article, web: Jul 17, 2017)

Schematic of Characterization of Chemical Exchange Using Relaxation Dispersion of Hyperpolarized Nuclear Spins

66. Kim, J., Liu, M. and Hilty, C. Modeling of Polarization Transfer Kinetics in Protein Hydration Using Hyperpolarized Water. J. Phys. Chem. B 121(27): 6492-6498 (2017). (article, web: Jun 14, 2017)

Schematic of the Modeling of Polarization Transfer Kinetics in Protein Hydration Using Hyperpolarized water

65. Ragavan, M., Iconaru, L.I., Park, C.G., Kriwacki, R.W. and Hilty, C. Real-Time Analysis of Folding upon Binding of a Disordered Protein by using Dissolution DNP NMR Spectroscopy. Angew. Chem. Int. Ed. 56(25): 7070-7073 (2017). (article, web: May 16, 2017)

Schematic of real time analysis of folding upon binding of a disordered protein by using dissolution DNP NMR spectroscopy

64. Kim, Y., Liu, M. and Hilty, C. Parallelized Ligand Screening Using Dissolution Dynamic Nuclear Polarization. Anal. Chem. 88(22): 11178-11183 (2016). (article, web: Oct 10, 2016)

Schematic of Parallelized Ligand Screening Using Dissolution Dynamic Nuclear Polarization

63. Zhang, G., Schilling, F., Glaser, S.J. and Hilty, C. Reaction Monitoring Using Hyperpolarized NMR with Scaling of Heteronuclear Couplings by Optimal Tracking. J. Magn. Reson. 272: 123-128 (2016). (article, web: Sep 14, 2016)

Schematic of reaction monitoring using hyperpolarized NMR with scaling of heteronuclear couplings by optimal tracking

62. Zhu, Y., Chen, C.H., Wilson, Z., Savukov, I., and Hilty, C. Milli-tesla NMR and spectrophotometry of liquids hyperpolarized by dissolution dynamic nuclear polarization. J. Magn. Reson. 270: 71-76 (2016). (article, web: July 13, 2016)

Schematic of Milli-tesla NMR spectrophotometry of liquids hyperpolarized by dissolution dynamic nuclear polarization

61. Wang, Y., Ragavan, M., and Hilty, C. Site specific polarization transfer from a hyperpolarized ligand of dihydrofolate reductase. J. Biomol. NMR: 41-48 (2016). (article, web: May 17, 2016)

60. Kim, J., Liu, M., Chen, H.Y. and Hilty, C. Determination of Intermolecular Interactions using Polarization Compensated Heteronuclear Overhauser Effect of Hyperpolarized Spins. Anal. Chem. 87(21): 11092-10987 (2015). (article, web: Oct 1, 2015)

Schematic of Determination of intermolecular interactions using polarization compensated heteronuclear overhauser effect of hyperpolarized spins

59. Ahola, S., Zhivonitko, V.V., Mankinen, O., Zhang, G., Kantola, A.M., Chen, H.Y., Hilty, C., Koptyug, I.V. and Telkki, V.V. Ultrafast multidimensional Laplace NMR for a rapid and sensitive chemical analysis. Nat. Commun. 6: 8363 (2015). (article, web: Sep 18, 2015)

58. Min, H., Sekar, G. and Hilty, C. Polarization Transfer from Ligands Hyperpolarized by Dissolution Dynamic Nuclear Polarization for Screening in Drug Discovery. ChemMedChem 10(9): 1559-1563 (2015). (article, web: Aug 4, 2015)

Schematic of polarization transfer from ligands hyperpolarized by dissolution dynamic nuclear polarization for screening in drug discovery

57. Ardenkjaer-Larsen, J.H., Boebinger, G.S., Comment, A., Duckett, S., Edison, A.S., Engelke, F., Griesinger, C., Griffin, R.G., Hilty, C., Maeda, H., Parigi, G., Prisner, T., Ravera, E., Bentum, J.V., Vega, S., Webb, A., Luchinat, C., Schwalbe, H. and Frydman, L. Facing and Overcoming Sensitivity Challenges in Biomolecular NMR Spectroscopy Angew. Chem. Int. Ed. 54(32): 9162-9185 (2015). (Review article). (article, web: Jul 1, 2015)

Schematic of facing and overcoming sensitivity challenges in biomolecular NMR spectroscopy

56. Chen, H.Y. and Hilty, C. Implementation and Characterization of Flow Injection in Dissolution Dynamic Nuclear Polarization NMR Spectroscopy. ChemPhysChem 16(12): 2646-2652 (2015). (article, web: Jul 2, 2015)

Schematic of implementation and characterization of flow injection in dissolution dynamic nuclear polarization NMR Spectroscopy

55. Chen, C.H., Shih, W.C. and Hilty, C. In-Situ Determination of Tacticity, Deactivation and Kinetics in [rac-(C₂H₄(1-indenyl)₂)ZrMe][B(C₆F₅)₄] and [(Cp)₂ZrMe][B(C₆F₅)₄]-Catalyzed Polymerization of 1-Hexene using ¹³C Hyperpolarized NMR. J. Am. Chem. Soc. 137(21): 6965-6971(2015). (article, web: May 11, 2015)

Schematic of In-situ determination of tacticity, deactivation and Kinetics

54. Rembert, K.B., Okur, H.I., Hilty, C. and Cremer, P. An NH Moiety Is Not Required for Anion Binding to Amides in Aqueous Solution. Langmuir 31(11): 3459-3464 (2015). (article, web: Mar 12, 2015)

Schematic of NH moiety is not required for anion binding tp amides in auqueous solution

53. Chen, H.Y., Kim, Y., Nath, P., and Hilty, C. An Ultra-Low Cost NMR Device with Arbitrary Pulse Programming. J. Magn. Reson. 255: 100-105 (2015). (article, web: Mar 10, 2015)

Schematic of Ultra low cost NMR device with arbitrary pulse programming

52. Kim, Y. and Hilty, C. Affinity Screening Using Competitive Binding with Fluorine-19 Hyperpolarized Ligands. Angew. Chem. Int. Ed. 54(16): 4941-4944 (2015). (article, Feb 20, 2015)

Schematic of affinty screening using competitive binding with fluorine-19 hyperpolarized ligands

51. Hilty, C. and Ragavan, M. Application of Blind Source Separation to Real-Time Dissolution Dynamic Nuclear Polarization. Anal. Chem. 87(2): 1004-1008 (2015). (article, web: Dec 15, 2014)

Schematic of application of blind source separation to real time dissolution dynamic nuclear polarization

50. Hladilkova, J., Hyeda, J., Rembert, K., Okur, H., Kurra, Y., Liu, W.R., Hilty, C., Cremer, P., and Jungwirth, P. Effects of End-Group Termination on Salting-Out Constants for Triglycine. J. Phys. Chem. Lett. 4: 4096-4073 (2013). (article, web: Nov 19, 2013)

Schematic of effects of end group termination on salting out constants for triglycine

49. Chen, H.Y., Ragavan, M. and Hilty, C. Protein Folding Studied by Dissolution Dynamic Nuclear Polarization. Angew. Chem. Int. Ed. 52(35): 9192-9195 (2013). (article, web: Jul 15, 2013)

Schematic of Protein folding studied by dissolution dynamic nuclear polarization

48. Chen, H.Y., Hilty, C. Hyperpolarized Hadamard Spectroscopy Using Flow NMR. Anal. Chem. 85(15): 7385-7390 (2013). (article, web: Jul 18, 2013)

Schematic of hyperpolarized hadamard spectroscopy using flow NMR

47. Paterova, J., Rembert, K., Heyda, J., Kurra, Y., Okur, H., Liu, W.R., Hilty, C., Cremer, P., and Jungwirth, P. Reversal of the Hofmeister Series: Specific Ion Effects on Peptides. J. Phys. Chem. B 117(27): 8150-8158 (2013). (article, web: Jun 14, 2013)

Schematic of reversal of Hofmeister series specific ion effects on peptides

46. Savukov, I.M., Chen, H.Y., Karaulanov, T. and Hilty, C. Method for accurate measurements of nuclear-spin optical rotation for applications in correlated optical-NMR spectroscopy. J. Magn. Reson. 232: 31-38 (2013). (article, web: Apr 24, 2013)

Schematic of method for accurate measurements of nuclear-spin optical rotation for applications in correlated optical-NMR spectroscopy

45. Lee, Y., Heo, G.S., Zeng, H., Wooley, K. and Hilty, C. Detection of Living Anionic Species in Polymerization Reaction using Hyperpolarized NMR. J. Am. Chem. Soc. 135(12): 4636-4639 (2013). (article, web: Mar 13, 2013)

Schematic of detection of living anionic species in polymerization reaction using hyperpolarized NMR

44. Zhang, G., Schilling, F., Glaser, S. J. and Hilty, C. Chemical Shift Correlations from Hyperpolarized NMR using a single SHOT. Anal. Chem. 85(5): 2875-2881 (2013). (article, web: Feb 14, 2013)

Schematic of chemical shift correlations from hyperpolarized NMR using a single shot

43. Wang, Y.S., Fang, X., Chen, H.Y., Wu, B., Wang, Z. W., Hilty, C. and Liu, W. R. Genetic Incorporation of Twelve meta-Substituted Phenylalanine Derivatives Using a Single Pyrrolysyl-tRNA Synthetase Mutant. ACS Chem. Biol. 8(2): 405-415 (2013). (article, web: Nov 19, 2012)

Schematic of genetic incorporation of twelve meta substituted phenylalanine derivatives using a single pyrrolysyl tRNA synthetase mutant

42. Lee, Y., Zeng, H., Ruedisser, S., Gossert, A.D. and Hilty, C. Nuclear Magnetic Resonance of Hyperpolarized Fluorine for Characterization of Protein-Ligand Interactions. J. Am. Chem. Soc. 134(42): 17448-17451 (2012). (article, web: Oct 9, 2012). Highlighted in Nature SciBX.

Schematic of nuclear magnetic resonance of hyperpolarized fluorine for characterization of protein-ligand interactions

41. Rembert, K.B., Paterová, J., Heyda, J., Hilty, C., Jungwirth, P. and Cremer, P.S. Molecular Mechanisms of Ion-Specific Effects on Proteins. J. Am. Chem. Soc. 134(24): 10039-10046 (2012). (article, web: Jun 11, 2012)
See also coverage in C&E News.

Schematic of molecular mechanisms of ion specific effects on proteins

40. Lee, Y., Zeng, H. Mazur, A., Wegstroth, M., Carlomagno, T., Reese, M., Lee, D., Becker, S., Griesinger, C. and Hilty, C. Hyperpolarized Binding Pocket Nuclear Overhauser Effect for Determination of Competitive Ligand Binding. Angew. Chem. Int. Ed. 51(21): 5179-5182 (2012). (article, web: Apr 12, 2012)

Schematic of hyperpolarized binding pocket nuclear overhauser effect for determination of competitive ligand binding

39. Hwang, S., and Hilty, C. Folding of a tryptophan zipper peptide investigated based on Nuclear Overhauser effect and thermal denaturation. J. Phys. Chem. B 115(51): 15355-15361 (2011). (article, web: Dec. 6, 2011)

Schematic of folding of a tryptophan zipper peptide investigated based on nuclear overhauser effect and thermal denaturation

38. Ragavan, M., Chen, H.Y., Sekar, G. and Hilty, C. Solution NMR of Polypeptides Hyperpolarized by Dynamic Nuclear Polarization. Anal. Chem. 83(15): 6054-6059 (2011). (article, web: Jun 30, 2011)

Schematic of solution NMR of polypeptides hyperpolarized by dynamic nuclear polarization

37. Hwang, S., Shao, Q., Williams, H., Hilty, C. and Gao, Y.Q. Methanol Strengthens Hydrogen Bonds and Weakens Hydrophobic Interactions in Proteins - A Combined Molecular Dynamics and NMR study. J. Phys. Chem. B 115(20): 6653-6660 (2011). (article, web: May 2, 2011)

Schematic of methanol strengthening hydrogen bonds and weakening hydrophobic interactions in proteins

36. Bowen, S., Sekar, G. and Hilty, C. Rapid Determination of Biosynthetic Pathways using Fractional Isotope Enrichment and High-Resolution Dynamic Nuclear Polarization Enhanced NMR. NMR Biomed. 24(4): 1016-1022 (2011). (article, web: Mar 8, 2011)

$Schematic of rapid determination of biosynthetic pathways using fractional isotope enrichment and high-resolution dynamic nuclear polarization enhanced NMR$

35. Hwang, S. and Hilty, C. Folding determinants of disulfide bond forming protein B explored by solution NMR Spectroscopy. Proteins 79(5):1365-1375 (2011). (article, web: Feb 18, 2011)

34. Chen, H.Y., Lee, Y., Bowen, S. and Hilty, C. Spontaneous emission of NMR signals in hyperpolarized proton spin systems. J. Magn. Reson. 208(2): 204-209 (2011). (article, web: Nov 11, 2010)

Schematic of spontaneous emission of NMR signals in hyperpolarized proton spin systems

33. Choutko, A., Glättli, A., Fernández, C., Hilty, C., Wüthrich, K. and van Gunsteren, W.F. Membrane protein dynamics in different environments: Simulation study of the outer membrane protein X (OmpX) in a lipid bilayer and in a micelle. Eur. Biophys. J. 40(1): 39-58 (2011). (article, web: Oct 5, 2010)

32. Zeng, H., Lee, Y. and Hilty, C. Quantitative rate determination by DNP enhanced NMR of a Diels-Alder reaction. Anal. Chem. 82(21): 8897-8902 (2010). (article, web: Oct 13, 2010)

Schematic of quantitative rate determination by DNP enhanced NMR of a Diels Alder reaction

31. Hilty, C. and Bowen, S. Applications of dynamic nuclear polarization to the study of reactions and reagents in organic and biomolecular chemistry. Org. Biomol. Chem. 8(15): 3361-3365 (2010). (Emerging area article). (article, web: Jun 7, 2010)

Schematic of applications of dynamic nuclear polarization to the study of reactions and reagents in organic and biomolecular chemistry

30. Bowen, S., Hilty, C. Rapid sample injection for hyperpolarized NMR spectroscopy Phys. Chem. Chem. Phys. 12(22): 5766-5770 (2010). (article, web: May 4, 2010)

Schematic of Rapid sample injection for hyperpolarized NMR spectroscopy

29. Hilty, C., Bowen, S. A NMR experiment based on off-the-shelf digital data acquisition equipment. J. Chem. Edu. 87(7): 747-749 (2010). (article, web: May 19, 2010)

28. Zeng, H., Bowen, S., Hilty, C. Sequentially acquired two-dimensional NMR spectra from hyperpolarized sample. J. Magn. Reson. 199 (2): 159-165 (2009). (article, web: Apr 24, 2009)

27. Bowen, S., Hilty, C. Temporal chemical shift correlations in reactions studied by hyperpolarized NMR. Anal. Chem. 81 (11): 4543-4547 (2009). (article, web: Apr 23, 2009)

26. Lee, D., Walter, K. F. A., Brückner, A.K., Hilty, C., Becker, S., Griesinger, C. Bilayer in Small Bicelles Revealed by Lipid-Protein Interactions Using NMR Spectroscopy. J. Am. Chem. Soc. 130(42): 13822-13823 (2008). (article, web: Sep 26, 2008)

Schematic of bilayer in small bicelles revealed by lipid-protein interactions using NMR spectroscopy

25. Bowen, S., Zeng, H., Hilty, C. Chemical Shift Correlations from Hyperpolarized NMR by Off-Resonance Decoupling. Anal. Chem. 80(15): 5794-5798 (2008). (article, web: Jul 8, 2008)

24. Bowen, S., Hilty, C. Time-resolved dynamic nuclear polarization enhanced NMR Spectroscopy. Angew. Chem. Int. Ed. 47(28): 5235-5237 (2008). (article, web: Jun 2, 2008)
This article has been designated a "Hot Paper" by the journal. See also coverage in C&E News.

Schematic of time resolved dynamic nuclear polarization enhanced NMR spectroscopy

23. Verpillat, F., Ledbetter, M.P., Xu, S., Michalak, D.J., Hilty, C., Bouchard, L.-S., Antonijevic, S., Budker, D., Pines, A. Remote detection of nuclear magnetic resonance with an anisotropic magnetoresistive sensor. P. Natl. Acad. Sci. USA 105(7): 2271-2273 (2008). (article, web: Feb 11, 2008)

22. Telkki, V.V., Hilty, C., Garcia, S., Harel, E., Pines, A. Quantifying the Diffusion of a Fluid through Membranes by Double Phase Encoded Remote Detection Magnetic Resonance Imaging. J. Phys. Chem. B 111(50): 13929-13936 (2007). (article, web: Nov 15, 2007)
Cover article

21. Granwehr, J., Harel, E., Hilty, C., Garcia, S., Chavez, L., Pines, A., Sen, P.N., Song, Y.Q. Dispersion measurements using time-of-flight remote detection MRI. Magn. Reson. Imaging 25(4): 449-452 (2007). (article, web: Jan 22, 2007)

20. Koptyug, I.V., Kovtunov, K.V., Burt, S.R., Anwar, M.S., Hilty, C., Han, S.I., Pines, A. and Sagdeev, R.Z. para-Hydrogen-Induced Polarization in Heterogeneous Hydrogenation Reactions. J. Am. Chem. Soc. 129(17): 5580-5586 (2007). (article, web: Apr 5, 2007)

19. Anwar, M.S., Hilty, C., Chu, C., Bouchard, L.S., Pierce, K.L. and Pines, A. Spin coherence transfer in chemical transformations monitored by remote detection NMR. Anal. Chem. 79(7): 2806-2811 (2007). (article, web: Mar 3, 2007)

18. Harel, E., Hilty, C., Koen, K., McDonnell, E.E. and Pines, A. Time-of-Flight Flow Imaging of Two-Phase Flow inside a Microfluidic Chip. Phys. Rev. Lett. 98: 017601 (2007). (article, web: Jan 5, 2007)

17. Schröder, L., Lowery, T.J., Hilty, C., Wemmer, D.E. and Pines, A. Targeted Molecular Imaging using Magnetic Resonance of Hyperpolarized Noble Gas. Science 314: 446-449 (2006). (article, web: Oct 20, 2006)
See press release, Perspectives, and Faculty of 1000 (Biology)

16. Baker, K.A., Hilty, C., Peti, W., Prince, A., Pfaffinger, P.J., Wider, G., Wüthrich, K. and Choe, S. NMR-derived dynamic aspects of N-type inactivation of a Kv channel suggest a transient interaction with the T1 domain Biochemistry 45(6): 1663-1672 (2006). (article, web: Jan 20, 2006)

Schematic of NMR derived dynamic aspects of N-type inactivation of a KV channel

15. Hilty, C., Lowery, T.J., Wemmer, D.E. and Pines, A. Spectrally Resolved Magnetic Resonance Imaging of the Xenon Biosensor. Angew. Chem. Int. Ed. 45(1): 70-73 (2006). (article, web: Nov 28, 2005)
This article was designated a VIP and highlighted as "frontispiece".

Schematic of spectrally resolved magnetic resonance imaging of the xenon biosensor

14. Lee, D., Hilty, C., Wider, G. and Wüthrich, K. Efficient Correlation Time Measurements for Macromolecules from NMR Relaxation Interference. J. Magn. Reson. 178: 72-76 (2006). (article, web: Sep 26, 2005)

13. McDonnell, E., Han, S.I., Hilty, C., Pierce, K.L. and Pines, A. NMR analysis on microfluidic devices by remote detection. Anal. Chem. 77: 8109-8114 (2005). (article, web: Nov 17, 2005)

12. Hilty, C., McDonnell, E., Granwehr, J., Pierce, K., Han, S.I., and Pines, A. Microfluidic gas flow profiling using hyperpolarized xenon and remote detection. P. Natl. Acad. Sci. USA 102(42): 14960-14963 (2005). (article, web: Oct 18, 2005)
See press release and news article

11. Seebach, D., Mathad, R.I., Kimmerlin, T., Mahajan, Y.R., Bindschadler, P., Rueping, M., Jaun, B., Hilty, C. and Etezady-Esfarjani, T. NMR-Solution Structures in Methanol of an α-Heptapeptide, of a β³/β²-Nonapeptide, and of an all-β³-Icosapeptide Carrying the 20 Proteinogenic Side Chains. Helv. Chim. Acta 88(7): 1969-1982 (2005). (article, web: Jul 20, 2005)

10. Hilty, C., Wider, G., Fernández, C. and Wüthrich, K. Membrane protein-lipid interactions in mixed micelles studied by NMR spectroscopy with the use of paramagnetic reagents. ChemBioChem 5(4): 467-473 (2004). (article, web: Apr 1, 2004)

9. Tafer, H., Hiller, S., Hilty, C., Fernández, C. and Wüthrich, K. Nonrandom Structure in the Urea-Unfolded Escherichia coli Outer Membrane Protein X (OmpX). Biochemistry 43(4): 860-869 (2004). (article, web: Jan 8, 2004)

8. Fernández, C., Hilty, C., Wider, G., Güntert, P. and Wüthrich, K. NMR structure of the integral membrane protein OmpX. J. Mol. Biol. 336(5): 1211-1221 (2003). (article, web: Feb 19, 2004)
See Faculty of 1000 (Biology)

7. Hilty, C., Wider, G., Fernández, C. and Wüthrich, K. Stereospecific assignments of the isopropyl methyl groups of the membrane protein OmpX in DHPC micelles. J. Biomol. NMR 27(4): 377-382 (2003). (article)

6. Fernández, C., Hilty, C., Wider, G. and Wüthrich, K. Lipid-protein interactions in DHPC micelles containing the integral membrane protein OmpX investigated by NMR spectroscopy. P. Natl. Acad. Sci. USA 99(21): 13533-13537 (2002). (article, web: Oct 7, 2002)

5. Hilty, C., Fernández, C., Wider, G. and Wüthrich, K. Side chain NMR assignments in the membrane protein OmpX reconstituted in DHPC micelles. J. Biomol. NMR 23(4): 289-301 (2002). (article)

4. Etezady-Esfarjani, T., Hilty, C., Wüthrich, K., Rueping, M., Schreiber, J. and Seebach, D. NMR-Structural Investigations of a β³-Dodecapeptide with Proteinogenic Side Chains in Methanol and in Aqueous Solutions. Helv. Chim. Acta 85(5): 1197-1209 (2002). (article, web: May 29, 2002)

3. Winterhalter, M., Hilty, C., Bezrukov, S.M., Nardin, C., Meier, W. and Fournier, D. Controlling membrane permeability with bacterial porins: application to encapsulated enzymes. Talanta 55(5): 965-971 (2001). (article, web: Nov 27, 2001)

2. Fernández, C., Hilty, C., Bonjour, S., Adeishvili, K., Pervushin, K. and Wüthrich, K. Solution NMR studies of the integral membrane proteins OmpX and OmpA from Escherichia coli. FEBS Letters 504(3): 173-178 (2001). (article, web: Aug 28, 2001)

1. Hilty, C. and Winterhalter, M. Facilitated substrate transport through membrane proteins. Phys. Rev. Lett. 86(24): 5624-5627 (2001). (article, Jun 11, 2001)