Publikationen

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113

J. S. Doll, J. Kergassner, B. Zhang, C. M. Thiele, G. Buntkowsky, M. Enders, T. Gutmann, D.-A. Rosca

Highly active iron catalysts for olefin hydrogenation enable parahydrogen induced hyperpolarisation of 1H and 19F NMR resonances at 1.4 Tesla

Chem. Commun., 2025, Accepted Manuscript.

DOI: 10.1039/D5CC02409A

112

A. Erb, J. Kind, T.L. Zankel, R.W. Stark, C. M. Thiele

Visualization and quantification of local concentration gradients in evaporating water/glycerol droplets with micrometer resolution

Proc. Natl. Acad. Sci. U.S.A. 2025, 122, (20), e2423660122.

DOI: 10.1073/pnas.2423660122

[Raw data DOI: 10.48328/tudatalib-1498]

111

J. Rettig, M. Gölz, C. M. Thiele

Synthesis and Application of a Hydrophobic Polyglutamate Bearing a Triphenylphosphine Group for the Orientation of Pharmaceutically Active Compounds and the Measurement of Residual Dipolar Couplings

Magn. Reson. Chem. 2025, 63, 406-413.

DOI: 10.1002/mrc.5522

[Raw data DOI: 10.5281/zenodo.14170603]

110

M. Brauser, K. Petzold, C. M. Thiele

Investigating Interaction Dynamics of an Enantioselective Peptide-Catalyzed Acylation Reaction

Angew. Chem. Int. Ed. 2025, 64, e202421062.

DOI: 10.1002/anie.202421062

[Raw data DOI: 10.5281/zenodo.13983993]

109

R. Hossain, C. M. Thiele

Exciting Novel Polyaspartates: Design, Synthesis, and Photo-Responsive Behavior in Solution and Lyotropic Liquid Crystalline Phase Upon Irradiation with Visible Light

Macromol. Rapid Commun. 2024, 45, 2400513.

DOI: 10.1002/marc.202400513

108

F. Trauner, R. Ghazali, J. Rettig, C. M. Thiele, D. Didier*

Stereoselective polar radical crossover for the functionalization of strained-ring systems

Commun. Chem. 2024, 7, 134.

DOI: 10.1038/s42004-024-01221-3

[Supplementary Data DOI: 10.6084/m9.figshare.25907506]

107

S. Weißheit, B. Kuttich, M. Vogel, C. M. Thiele

Elastin-like Peptide as a Model for Disordered Proteins: Diffusion Behaviour in Self-Crowding Conditions

ChemPhysChem 2024, 25, e202400117.

DOI: 10.1002/cphc.202400117

106

Editors: L. Yao, B. Vogeli

Residual Dipolar Couplings: Principles and Applications

J. Rettig, M. Brauser, C. M. Thiele

Chapter 11: Structure Determination of Organic Molecules Using RDCs (and RCSAs)

RSC 2024, ISBN: 978-1-83916-429-3.

DOI: 10.1039/9781839167898

105

D. Herold, M. Brauser, J. Kind, C. M. Thiele

Evolution of a Combined UV/Vis and NMR Setup with Fixed Pathlengths for Mass-limited Samples

Chem. Eur. J. 2024, 30, e202304016.

DOI: 10.1002/chem.202304016

104

J. Nowag, M. Brauser, L. Steuernagel, R. C. Wende, P. R. Schreiner, C. M. Thiele

Quantifying Intermolecular Interactions in Asymmetric Peptide Organocatalysis as a Key toward Understanding Selectivity

J. Am. Chem.Soc. 2024, 146, 170–180.

DOI: 10.1021/jacs.3c06378

[Raw data DOI: 10.5281/zenodo.7872628]

103

D. Herold, J. Kind, F. Frieß, C. M. Thiele

Extraction of pure component spectra from ex situ illumination UV/Vis and NMR spectroscopy

Photochem. Photobiol. Sci. 2023, 22, 2599–2606.

DOI: 10.1007/s43630-023-00475-5

102

J. J. Primozic, J. Ilgen, P. Maibach, M. Brauser, J. Kind, C. M. Thiele*

Pd-Catalyzed Asymmetric Allylic Alkylation of Cyclobutenes: From Double Inversion to Double Retention

J. Am. Chem. Soc. 2023, 145, 15912-15923.

DOI: 10.1021/jacs.3c03590

101

F. Theiss, L. Wienands, J. Lins, M. Alcaraz Janßen, C. M. Thiele, G. Buntkowsky

Parahydrogen-induced polarization enables the single-scan NMR detection of a 236 kDa biopolymer at nanomolar concentrations

Sci. Rep. 2023, 13, 10117.

DOI: 10.1038/s41598-023-37202-0

100

T. Imhof, J. Kind, C. M. Thiele

Tilting or Twisting? Using Anisotropic Solvent Diffusion in Polymeric Thermo-Responsive LLC Phases for the Distinction of Spatial Reorientation versus Inversion of the Helical Polymer Backbone

Macromolecules 2023, 56, 2947-2954.

DOI: 10.1021/acs.macromol.2c02021

[Raw data DOI: 10.23728/b2share.7e9406cbc86549cbb16e221957e15edb]

99

M. Hirschmann, O. Soltwedel, P. Ritzert, R. von Klitzing, C. M. Thiele

Light-Controlled Lyotropic Liquid Crystallinity of Polyaspartates Exploited as Photo-Switchable Alignment Medium

J. Am. Chem. Soc. 2023, 145, 3615-3623.

DOI: 10.1021/jacs.2c12760

98

J. Kind, M. Stein, T. Gambaryan-Roisman, P. Stephan, T. L. Zankel, C. M. Thiele

Construction of an active humidity regulation setup for NMR/MRI-Observation and simulation of the controlled evaporation of sessile water droplets

J. Magn. Reson. 2023, 348, 107389.

DOI: 10.1016/j.jmr.2023.107389

[Raw data DOI: 10.23728/b2share.a58444ebaf8b4cbeba0c3d4237c58dc3]

97

M. Tichotová, T. Landovský, J. Lang, S. Jeziorowski, V. Schmidts, M. Kohout, M. Babor, P. Lhoták,* C. M. Thiele,* H. Dvořáková*

Enantiodiscrimination of Inherently Chiral Thiacalixarenes by Residual Dipolar Couplings

J. Org. Chem. 2024, 89, 9711-9720.

DOI: 10.1021/acs.joc.2c02594

96

M. Brauser, T. Heymann, C. M. Thiele

Detection and Verification of a Key Intermediate in an Enantioselective Peptide Catalyzed Acylation Reaction

Molecules 2022, 27, 6351.

DOI: 10.3390/molecules27196351

95

P. Weigl, S. Weißheit, F. Pabst, H. Kolmar, C. M. Thiele, T. Walther, T. Blochowicz

Triplet States Reveal Slow Local Dynamics in the Solvation Shell of Biomolecules

J. Phys. Chem. B 2022, 126, 6324-6330.

DOI: 10.1021/acs.jpcb.2c03784

94

D. S. Schirra, P. Götz, M. Lehmann, C. M. Thiele
Atropisomerism in a polyglutamate-based thermoresponsive alignment medium
Chem. Commun. 2022, 58, 7511-7514.

DOI: 10.1039/D2CC01982E

93

D. S. Schirra, S. Jeziorowski, M. Lehmann, C. M. Thiele
Thermoreversible Gelation of Homopolyglutamates PBPMLG, PBPELG, and PBPHLG: Another Step toward de Novo RDC-Based Structure Elucidation
Macromolecules 2022, 55, 3430-3436.

DOI: 10.1021/acs.macromol.2c00176

[Correction: 10.1021/acs.macromol.2c01242]

92

A. K. Bell, J. Kind, M. Hartmann, B. Kresse, M. V. Höfler, B. B. Straub, G. K. Auernhammer, M. Vogel, C. M. Thiele, R. W. Stark
Concentration gradients in evaporating binary droplets probed by spatially resolved Raman and NMR spectroscopy
PNAS 2022, 119, e2111989119.

DOI: 10.1073/pnas.2111989119

[Raw data DOI: 10.48328/tudatalib-824.2]

91

K. Knoll, D. Herold, M. Hirschmann, C. M. Thiele
A Supramolecular and Liquid Crystalline water-based Alignment Medium based on Azobenzene-substituted 1,3,5-Benzenetricarboxamides
Magn. Reson. Chem. 2022, 60, 563-571.

DOI: 10.1002/mrc.5266

[Raw data DOI: 10.5281/zenodo.6020398]

90

K. Knoll, T. Kostner, C. Lorenz, C. M. Thiele
Investigations into Supramolecular Lyotropic Liquid Crystals based on 1,3,5-Benzenetricarboxaramides by NMR-spectroscopy
Eur. J. Org. Chem. 2022, 22, e202101490.

DOI: 10.1002/ejoc.202101490

[Front Cover]

89

F. A. Roth, V. Schmidts, J. Rettig, C. M. Thiele
Model Free Analysis of Experimental Residual Dipolar Couplings in Small Organic Compounds
Phys. Chem. Chem. Phys. 2022, 24, 281-286

DOI: 10.1039/D1CP02324A

[Raw Data: 10.5281/zenodo.5636052, Pre-Print: 10.26434/chemrxiv.14636316.v1]

88

F. A. Roth, V. Schmidts, C. M. Thiele

TITANIA: Model-Free Interpretation of Residual Dipolar Couplings in the Context of Organic Compounds

J. Org. Chem. 2021, 86, 15387-15402

DOI: 10.1021/acs.joc.1c01926

[Source Code: DOI 10.5281/zenodo.5548105, Raw Data: DOI 10.5281/zenodo.5556977, Pre-Print: DOI 10.26434/chemrxiv.14636070.v1]

87

D. S. Schirra, M. Hirschmann, I. A. Radulov, M. Lehmann, C. M. Thiele*

Investigations of the alignment process of homopolyglutamate-based LLC phases: Deuterium NMR analysis of PBPMLG reveals a 90° flip of the polymer

Angew. Chem. 2021, 133, 21208-21214, Angew. Chem. Int. Ed. 2021, 60, 21040-21046.

DOI: 10.1002/ange.202108814, 10.1002/anie.202108814

86

M. Hirschmann, D. S. Schirra, C. M. Thiele*

Copolyaspartates: Uncovering Simultaneous Thermo and Magnetoresponsiveness

Macromolecules 2021, 54, 1648-1656

DOI: 10.1021/acs.macromol.0c02688

85

M. Hirschmann, C. Merten, C. M. Thiele*

Treating Anisotropic Artefacts in Circular Dichroism Spectroscopy Enables Investigation of Lyotropic Liquid Crystalline Polyaspartate Solutions

Soft Matter 2021, 17, 2849-2856

DOI: 10.1039/D0SM02102D

84

J. Ilgen, J. Nowag, L. Kaltschnee, V. Schmidts, C. M. Thiele*

Gradient selected pure-shift EASY-ROESY techniques facilitate the quantitative measurement of 1H,1H-distance restraints in congested spectral regions

J. Magn. Reson. 2021, 324, 106900

DOI: 10.1016/j.jmr.2020.106900
Preprint: PDF (wird in neuem Tab geöffnet) | SI (wird in neuem Tab geöffnet)

83

P. Weigl,* D. Schadt, S. Weißheit, C. M. Thiele, T. Walther, T. Blochowicz

Triplet state solvation dynamics: extending the accessible timescale by using indole as local probe

Phys. Chem. Chem. Phys. 2021, 23, 683-693

DOI: 10.1039/D0CP05240J

82

M. Alcaraz Janßen, C. M. Thiele*

Poly‐γ‐S‐perillyl‐L‐glutamate and Poly‐γ‐S‐perillyl‐D‐glutamate: diastereomeric alignment media used for the investigation of the alignment process

Chem. Eur. J. 2020, 26, 7831-7839

DOI: 10.1002/chem.201905447

81

D. Sinnaeve,* J. Ilgen, M. E. Di Pietro, J. J. Primozic, V. Schmidts, C. M. Thiele, B. Luy

Probing long-range anisotropic interactions – A general and sign-sensitive strategy to measure 1H-1H residual dipolar couplings as a key advance for organic structure determination

Angew. Chem. 2020, 132, 5354-5358, Angew. Chem. Int. Ed. 2020, 59, 5316-5320

DOI: 10.1002/ange.201915278, 10.1002/anie.201915278

[Raw Data: DOI 10.6084/m9.figshare.11297651]

80

D. Niedek, F. R. Erb, C. Topp, A. Seitz, R. C. Wende, A. K. Eckhardt, J. Kind, D. Herold, C. M. Thiele,* P. R. Schreiner*

In situ Switching of Site-Selectivity with Light in the Acetylation of Sugars with Azo-Peptide Catalysts

J. Org. Chem. 2020, 85, 1835-1846

DOI: 10.1021/acs.joc.9b01913

79

J. von Irmer, F. Frieß, D. Herold, J. Kind, C. M. Thiele,* M. Gallei*

Photochromic Dithienylethenes Characterized by in situ Irradiation NMR-Spectroscopy and Electrochemically-Induced Responsiveness on Gold Substrates

J. Mater. Chem. C 2019, 7, 14088-14097

DOI: 10.1039/C9TC04495G

78

J. Kind,* C. M. Thiele

MRI and localised NMR spectroscopy of sessile droplets on hydrophilic, hydrophobic and superhydrophobic surfaces – Examination of the chemical composition during evaporation

J. Magn. Reson. 2019, 307, 106579

DOI: 10.1016/j.jmr.2019.106579

[Raw Data: DOI 10.23728/b2share.5f4f0b7ae6d84ab8bdab95131d6ed0a3]

77

M. Hirschmann, M. Schwab, C. M. Thiele*

Molecular Weights: The Key for Lyotropic Liquid Crystalline Phases of Poly-β-benzyl-L-aspartate

Macromolecules 2019, 52, 6025-6034

DOI: 10.1021/acs.macromol.9b00970

76

Y. Ji,* D. DiRocco, J. Kind, C. M. Thiele, R. M. Gschwind, M. Reibarkh*

LED Illuminated NMR spectroscopy: Practical Tool for Mechanistic Studies of Photochemical Reactions

ChemPhotoChem 2019, 3, 984-992

DOI: 10.1002/cptc.201900109

75

A. Matt, B. Kuttich,* I. Grillo, S. Weißheit, C. M. Thiele, B. Stühn

Temperature induced conformational changes in the elastin-like peptide GVG(VPGVG)3

Soft Matter 2019, 15, 4192-4199

DOI: 10.1039/C9SM00583H

74

K. Knoll, M. Leyendecker, C. M. Thiele*

L‐Valine derivatised 1,3,5‐Benzene‐tricarboxamides as Building Blocks for a new Supramolecular Organogel‐like Alignment Medium

Eur. J. Org. Chem. 2019, 2019, 720-727

DOI: 10.1002/ejoc.201801306

73

S. Jeziorowski, C. M. Thiele*

Poly‐γ‐p‐biphenylmethyl‐glutamate as Enantiodifferentiating Alignment Medium for NMR‐Spectroscopy with Temperature Tunable Properties

Chem. Eur. J. 2018, 24, 15631-15637

DOI: 10.1002/chem.201802921

72

M. Schwab, V. Schmidts, C. M. Thiele*

Thermoresponsive Alignment Media in NMR spectroscopy: Helix Reversal of a Copolyaspartate at Ambient Temperatures

Chem. Eur. J. 2018, 24, 14373-14377

DOI: 10.1002/chem.201803540

71

S. Weißheit, M. Kahse, K. Kämpf, A. Tietze, M. Vogel, R. Winter, C. M. Thiele*

Elastin-like Peptide in Confinement: FT-IR and NMR T1 Relaxation Data

Z. Phys. Chem. 2018, 232, 1239-1261

DOI: 10.1515/zpch-2017-1047

70

J. Ilgen, L. Kaltschnee, C. M. Thiele*

perfectBASH: Band-selective homonuclear decoupling in peptides and peptidomimetics

Magn. Reson. Chem. 2018, 56, 918-933

DOI: 10.1002/mrc.4757

[Raw Data: DOI 10.23728/b2share.688901f6e4fe4b92bd0238715c3186bb]

69

A.-K. Schönbein, J. Kind, C. M. Thiele,* J. J. Michels*

Full Quantification of the Light-Mediated Gilch Polymerization

Macromolecules 2018, 51, 4678-4687

DOI: 10.1021/acs.macromol.8b00607

68

L. Čechová, J. Kind, M. Dračínský, J. Filo, Z. Janeba, C. M. Thiele, M. Cigáň,* E. Procházková*

Photoswitching behavior of 5-phenylazopyrimidines: in situ irradiation NMR and optical spectroscopy combined with theoretical methods

J. Org. Chem. 2018, 83, 5986-5998

DOI: 10.1021/acs.joc.8b00569

67

S. Fräbel, B. Wagner, M. Krischke, V. Schmidts, C. M. Thiele, A. Staniek, H. Warzecha*

Engineering of new-to-nature halogenated indigo precursors in plants

Metab. Eng. 2018, 46, 20-27

DOI: 10.1016/j.ymben.2018.02.003

66

E. Procházková,* L. Čechová, J. Kind, Z. Janeba, C. M. Thiele, M. Dračínský*

Photoswitchable intramolecular hydrogen bonds in 5-phenylazopyrimidines revealed by in-situ irradiation NMR spectroscopy

Chem. Eur. J. 2018, 24, 492-498

DOI: 10.1002/chem.201705146

65

J. Ilgen, L. Kaltschnee, C. M. Thiele*

A pure shift experiment with increased sensitivity and superior performance for strongly coupled systems

J. Magn. Reson. 2018, 286, 18-29

DOI: 10.1016/j.jmr.2017.11.001

[JMR Most-read Publication Award in 2018] [Raw Data: DOI 10.23728/b2share.76f2f9e3f53d4fce90e2ac768102c34e]

64

S. Ortgies, R. Rieger, K. Rode, K. Koszinowski, J. Kind, C. M. Thiele, J. Rehbein, A. Breder*

Mechanistic and Synthetic Investigations on the Dual Selenium-π-Acid/Photoredox Catalysis in the Context of the Aerobic Dehydrogenative Lactonization of Alkenoic Acids

ACS Catal. 2017, 7, 7578-7586

DOI: 10.1021/acscatal.7b02729

63

M. Schwab, D. Herold, C. M. Thiele*

Polyaspartates as Thermoresponsive Enantiodifferentiating Helically Chiral Alignment Media for Anisotropic NMR-Spectroscopy

Chem. Eur. J. 2017, 23, 14576-14584

DOI: 10.1002/chem.201702884

62

M. Leyendecker, N.-C. Meyer, C. M. Thiele*

Development of new supramolecular lyotropic liquid crystals and their application as alignment media for organic compounds

Angew. Chem. 2017, 129, 11629-11632, Angew. Chem. Int. Ed. 2017, 56, 11471-11474

DOI: 10.1002/ange.201705642, 10.1002/anie.201705642

61

S. Hansmann, V. Schmidts, C. M. Thiele*

Synthesis of Poly-γ-S-2-methylbutyl-L-glutamate and Poly-γ-S 2-methylbutyl-D-glutamate and their Use as Enantiodiscriminating Alignment Media in NMR Spectroscopy

Chem. Eur. J. 2017, 23, 9114-9121

DOI: 10.1002/chem.201700699

60

M. Fredersdorf, M. Kurz, A. Bauer, M.-O. Ebert, C. Rigling, L. Lannes, C. M. Thiele*

Conformational analysis of an antibacterial cyclodepsipeptide active against M. tuberculosis by a combined ROE and RDC analysis

Chem. Eur. J. 2017, 24, 5729-5735

DOI: 10.1002/chem.201605143

[Back Cover]

59

Yu. E. Moskalenko, V. Bagutski, C. M. Thiele*

Chemically synthesized and cross-linked PDMS as versatile alignment medium for organic compounds

Chem. Commun. 2017, 53, 95-98

DOI: 10.1039/C6CC08762K

[Inside Front Cover]

58

C. M. Thiele

Book Review Csaba Szántay Jr. (Ed.): Anthropic awareness: the human aspects of scientific thinking in NMR spectroscopy and mass spectrometry

Anal. Bioanal. Chem. 2017, 409, 867-868

DOI: 10.1007/s00216-016-9892-2 | Full Text

57

E. Procházková, A. Kolmer, J. Ilgen, M. Schwab, L. Kaltschnee, M. Fredersdorf, V. Schmidts, R. C. Wende, P. R. Schreiner,* C. M. Thiele*

Uncovering Key Structural Features of an Enantioselective Peptide-Catalyzed Acylation Utilizing Advanced NMR Techniques

Angew. Chem. 2016, 128, 15986–15991, Angew. Chem. Int. Ed. 2016, 55, 15754–15759

DOI: 10.1002/ange.201608559, 10.1002/anie.201608559

56

S. Hörner, S. Knauer, C. Uth, M. Jöst, V. Schmidts, H. Frauendorf, C. M. Thiele, O. Avrutina, H. Kolmar*

Nanoscale Biodegradable Organic–Inorganic Hybrids for Efficient Cell Penetration and Drug Delivery

Angew. Chem. 2016, 128, 15063-15068, Angew. Chem. Int. Ed. 2016, 55, 14842-14846

DOI: 10.1002/ange.201606065, 10.1002/anie.201606065

55

J. Kind, L. Kaltschnee, M. Leyendecker, C. M. Thiele*

Distinction of trans-cis photoisomers with comparable optical properties in multiple-state photochromic systems – Examining a molecule with three azobenzenes via in situ irradiation NMR

Chem. Commun. 2016, 52, 12506-12509

DOI: 10.1039/C6CC06771A

54

I. Timári, L. Kaltschnee, M. H. Raics, F. Roth, N. G. A. Bell, R. W. Adams, M. Nilsson, D. Uhrín, G. A. Morris, C. M. Thiele, K. E. Kövér

Real-time broadband proton-homodecoupled CLIP/CLAP-HSQC for automated measurement of heteronuclear one-bond coupling constants

RSC Adv. 2016, 6, 87848-87855

DOI: 10.1039/C6RA14329F

53

L. Kaltschnee, K. Knoll, V. Schmidts, R. W. Adams, M. Nilsson, G. A. Morris, C. M. Thiele*

Extraction of Distance Restraints from Pure Shift NOE experiments

J. Magn. Reson. 2016, 271, 99-109

DOI: 10.1016/j.jmr.2016.08.007

52

M. R. M. Koos, G. Kummerlöwe, L. Kaltschnee, C. M. Thiele,* B. Luy*

CLIP-COSY: A Clean Inphase Experiment for Rapid Acquisition of COSY-type Correlations

Angew. Chem. 2016, 128, 7785-7789, Angew. Chem. Int. Ed. 2016, 55, 7655-7659

DOI: 10.1002/ange.201510938, 10.1002/anie.201510938

51

C. M. Thiele,* A. S. Ulrich

Light flips a membrane-embedded helix

Science 2016, 352, 520

DOI: 10.1126/science.aaf6191 | Full Text | PDF Reprint

50

C. M. Thiele,* A. Kolmer

Response to “Comment on „Conformational Analysis of Small Organic Moleucles using NOE and RDC data: A discussion of strychnine and alpha-methylene-gamma-butyrolactone“” by I. A. Khodov, M. G. Kiselev, V. V. Klochkov, S. V. Efimov – or Life is about compromises

J. Magn. Reson. 2016, 266, 69-72

DOI: 10.1016/j.jmr.2016.02.010

49

F. Krohm, J. Kind, R. Savka, M. Alcaraz Janßen, D. Herold, H. Plenio, C. M. Thiele, A. Andrieu-Brunsen*

Photochromic spiropyran- and spirooxazine-homopolymers in mesoporous thin films by surface initiated ROMP

J. Mater. Chem. C 2016, 4, 4067-4076

DOI: 10.1039/C5TC04054J | Corrigendum

48

S. Hansmann, T. Larem (née Montag), C. M. Thiele*

Enantiodifferentiating properties of the alignment media PELG and PBLG -- A comparison

Eur. J. Org. Chem. 2016, 7, 1324–1329

DOI: 10.1002/ejoc.201501410

47

N. Kolmer-Anderl, A. Kolmer, C. M. Thiele,* M. Rehahn*

Exploration of the photodegradation of naphto[2,3-g]quinoxalines and pyrazino[2,3-b]phenazines

Chem. Eur. J. 2016, 22, 5277–5287

DOI: 10.1002/chem.201504453

46

C. Wolff, J. Kind, H. Schenderlein, H. Bartling, C. Feldmeier, M. Biesalski, R. M. Gschwind, C. M. Thiele*

Studies of a photochromic model system using NMR with ex-situ and in-situ irradiation devices

Magn. Reson. Chem. 2016, 54, 485-491

DOI: 10.1002/mrc.4403

45

A. Kolmer, L. J. Edwards, I. Kuprov, C. M. Thiele*

Conformational analysis of small organic molecules using NOE and RDC data: A discussion of strychnine and alpha-methylene-gamma-butyrolactone

J. Magn. Reson. 2015, 261, 101-109

DOI: 10.1016/j.jmr.2015.10.007

44

J. Kind, C. M. Thiele*

Still shimming or already measuring? – Quantitative reaction monitoring for small molecules on the sub minute timescale by NMR

J. Magn. Reson. 2015, 260, 109-115

DOI: 10.1016/j.jmr.2015.09.008

43

M. Fredersdorf, R. Göstl, A. Kolmer, V. Schmidts, P. Monecke, S. Hecht,* C. M. Thiele*

Exploring the Conformational Space of Bridge-Substituted Dithienylcyclopentenes

Chem. Eur. J. 2015, 21, 14545–14554

DOI: 10.1002/chem.201501842

42

L.-G. Xie, V. Bagutski, D. Audisio, L. Wolf, V. Schmidts, K. Hofmann, C. Wirtz, W. Thiel, C. M. Thiele,* N. Maulide*

Dynamic Behaviour of monohaptoallylpaladium species: internal coordination as a driving force in allylic alkylation chemistry

Chem. Sci. 2015, 6, 5734-5739

DOI: 10.1039/C5SC01867F

41

K. Zhang,* A. Geissler, M. Standhardt, S. Mehlhase, M. Gallei, L. Chen, C. M. Thiele

Moisture-responsive films of cellulose stearoyl esters showing reversible shape transitions

Sci. Rep. 2015, 5, 11011

DOI: 10.1038/srep11011

40

B. Horstmann, M. Korbus, T. Friedmann, C. Wolff, C. M. Thiele, F.-J. Meyer-Almes*

Synthesis of azobenzenealkylmaleimide probes to photocontrol the enzyme activity of a bacterial histone deacetylase-like amidohydrolase

Bioorg. Chem. 2014, 57, 155-161

DOI: 10.1016/j.bioorg.2014.10.004

39

L. Kaltschnee, A. Kolmer, I. Timári, V. Schmidts, R. W. Adams, M. Nilsson, K. E. Kövér, G. A. Morris, C. M. Thiele*

„Perfecting“ pure shift HSQC: full homodecoupling for accurate and precise determination of heteronuclear couplings

Chem. Commun. 2014, 50, 15702-15705

DOI: 10.1039/C4CC04217D

38

I. Timári, L. Kaltschnee, A. Kolmer, R. W. Adams, M. Nilsson, C. M. Thiele, G. A. Morris, K. E. Kövér*

Accurate determination of one-bond heteronuclear coupling constants with “pure shift” broadband proton-decoupled CLIP/CLAP-HSQC experiments

J. Magn. Reson. 2014, 239, 130-138

DOI: 10.1016/j.jmr.2013.10.023

37

V. Thiel, K.-J. Wannowius, C. Wolff, C. M. Thiele, H. Plenio*

Ring-Closing Metathesis Reactions: Interpretation of Conversion–Time Data

Chem. Eur. J. 2013, 19, 16403–16414

DOI: 10.1002/chem.201204150

36

A. Kolmer, L. Kaltschnee, V. Schmidts, L. H. Peeck, H. Plenio, C. M. Thiele*

The influence of electronic modifications on rotational barriers of bis-NHC-complexes as observed by dynamic NMR spectroscopy

Magn. Reson. Chem. 2013, 51, 695–700

DOI: 10.1002/mrc.4002

35

V. Schmidts, M. Fredersdorf, T. Lübken, A. Porzel, N. Arnold, L. Wessjohann,* C. M. Thiele*

RDC-Based Determination of the Relative Configuration of the Fungicidal Cyclopentenone 4,6-Diacetylhygrophorone A12

J. Nat. Prod. 2013, 76, 839-844

DOI: 10.1021/np300728b

34

T. Montag, C. M. Thiele*

Cross-Linked Helically Chiral Poly-(γ-benzyl-L-glutamate) as Enantiodiscriminating Alignment Medium

Chem. Eur. J. 2013, 19, 2271-2274

DOI: 10.1002/chem.201202554

33

P. Giraudeau,* T. Montag, B. Charrier, C. M. Thiele*

Fast access to residual dipolar couplings by single-scan 2D NMR in oriented media

Magn. Reson. Chem. 2012, 50, S53–S57

DOI: 10.1002/mrc.3856 | Corrigendum

32

H.-G. Weinig,* C. M. Thiele*

4. Chinesisch-Deutsches Symposium “Frontiers of Chemistry”

Nachr. Chem. 2012, 60, 1234-1235

DOI: 10.1002/nadc.201290454

31

N.-C. Meyer, A. Krupp, V. Schmidts, C. M. Thiele, M. Reggelin*

Polyacetylenes as Enantiodifferentiating Alignment Media

Angew. Chem. 2012, 124, 8459–8463, Angew. Chem. Int. Ed. 2012, 51, 8334–8338

DOI: 10.1002/ange.201201891, 10.1002/anie.201201891

30

R. Berger, J. Courtieu, R. R. Gil, C. Griesinger,* M. Köck, P. Lesot, B. Luy, D. Merlet, A. Navarro-Vázquez, M. Reggelin, U. M. Reinscheid, C. M. Thiele, M. Zweckstetter

Is Enantiomer Assignment Possible by NMR Spectroscopy Using Residual Dipolar Couplings from Chiral Nonracemic Alignment Media? – A Critical Assessment

Angew. Chem. 2012, 124, 8512–8515, Angew. Chem. Int. Ed. 2012, 51, 8388–8391

DOI: 10.1002/ange.201107626, 10.1002/anie.201107626

29

B. Böttcher, C. M. Thiele*

Determining the Stereochemistry of Molecules from Residual Dipolar Couplings (RDCs)

in Encyclopedia of Magnetic Resonance, (published by R. K. Harris, R. E. Wasylishen), John Wiley, Chichester, 2012, 1, 169-180.

DOI: 10.1002/9780470034590.emrstm1194

28

C. M. Thiele,* W. Bermel

Speeding up the measurement of one-bond scalar (1J) and residual dipolar couplings (1D) by using non-uniform sampling (NUS)

J. Magn. Reson. 2012, 216, 134-143

DOI: 10.1016/j.jmr.2012.01.008 | Corrigendum

27

G. Kummerlöwe, S. L. Grage, C. M. Thiele, I. Kuprov, A. S. Ulrich, B. Luy*

Variable Angle NMR Spectroscopy and Its Application to the Measurement of Residual Chemical Shift Anisotropy

J. Magn. Reson. 2011, 209, 19-30

DOI: 10.1016/j.jmr.2010.11.019

26

D. Zornik, R. M. Meudtner, T. El Malah, C. M. Thiele, S. Hecht*

Designing Structural Motifs for Clickamers: Exploiting the 1,2,3-Triazole Moiety to Generate Conformationally Restricted Architectures

Chem. Eur. J. 2011, 17, 1473-1484

DOI: 10.1002/chem.201002491

25

C. M. Thiele,* W. C. Pomerantz, N. L. Abott, S. H. Gellman

Lyotropic liquid crystalline phases from helical β-peptides as alignment media

Chem. Commun. 2011, 47, 502-504

DOI: 10.1039/C0CC02123G

24

U. M. Reinscheid,* M. Köck,* C. Cychon, V. Schmidts, C. M. Thiele,* C. Griesinger*

The Absolute Configuration of Dibromopalau'amine

Eur. J. Org. Chem. 2010, 6900-6903

DOI: 10.1002/ejoc.201001392

23

L. Arnold, A. Marx, C. M. Thiele, M. Reggelin*

Polyguanidines as Chiral Orienting Media for Organic Compounds

Chem. Eur. J. 2010, 16, 10342-10346

DOI: 10.1002/chem.201000940

22

A. Marx, B. Böttcher, C. M. Thiele*

Enhancing the Orienting Properties of Poly(γ-benzyl-L-glutamate) by means of Additives

Chem. Eur. J. 2010, 16, 1656-1663

DOI: 10.1002/chem.200902287

21

B. Böttcher, V. Schmidts, J. A. Raskatov, C. M. Thiele*

Determination of the Conformation of the Key Intermediate in an Enantioselective Palladium-Catalyzed Allylic Substitution from Residual Dipolar Couplings

Angew. Chem. 2010, 122, 210-214, Angew. Chem. Int. Ed. 2010, 49, 205-209

DOI: 10.1002/ange.200903649, 10.1002/anie.200903649

20

C. M. Thiele,* A. Maliniak, B. Stevensson

Use of Local Alignment Tensors for the Determination of Relative Configurations in Organic Compounds

J. Am. Chem. Soc. 2009, 131, 12878-12879

DOI: 10.1021/ja904536b

19

C. M. Thiele,* V. Schmidts, B. Böttcher, I. Louzao, R. Berger, A. Maliniak, B. Stevensson

On the Treatment of Conformational Flexibility when using Residual Dipolar Couplings for Structure Determination

Angew. Chem. 2009, 121, 6836-6840, Angew. Chem. Int. Ed. 2009, 48, 6708-6712

DOI: 10.1002/ange.200902398, 10.1002/anie.200902398

18

A. Marx, V. Schmidts, C. M. Thiele*

How different are diastereomorphous orientations of enantiomers in the liquid crystalline phases of PBLG and PBDG: a case study

Magn. Res. Chem. 2009, 47, 734-740

DOI: 10.1002/mrc.2454

17

C. M. Thiele,* K. Petzold, J. Schleucher*

EASY ROESY: Reliable Cross-Peak Integration in Adiabatic Symmetrized ROESY

Chem. Eur. J. 2009, 15, 585-588

DOI: 10.1002/chem.200802027

16

R. S. Stoll, M. V. Peters, A. Kühn, S. Heiles, R. Goddard, M. Bühl, C. M. Thiele,* S. Hecht*

Photoswitchable Catalysts: Correlating Structure and Conformational Dynamics with Reactivity by a Combined Experimental and Computational Approach

J. Am. Chem. Soc. 2009, 131, 357-367

DOI: 10.1021/ja807694s

15

A. Marx, C. M. Thiele*

Orientational properties of PBLG: Influence of molecular weight and solvent on order parameters of the solute

Chem. Eur. J. 2009, 15, 254-260

DOI: 10.1002/chem.200801147

14

C. M. Thiele*

Residual Dipolar Couplings (RDCs) in Organic Structure Determination

Eur. J. Org. Chem. 2008, 5673-5685

DOI: 10.1002/ejoc.200800686

13

S. Leuthäußer, V. Schmidts, C. M. Thiele,* H. Plenio*

π-Face Donor Properties of N-Heterocyclic Carbenes in Grubbs II Complexes

Chem. Eur. J. 2008, 14, 5465-5481

DOI: 10.1002/chem.200800139

12

C. M. Thiele,* W. Bermel

J-modulated ADEQUATE experiments using different kinds of refocusing pulses

Magn. Res. Chem. 2007, 45, 889-894

DOI: 10.1002/mrc.2055

11

C. M. Thiele*

Magnetic Resonance at or below the Earth's magnetic field

Angew. Chem. 2007, 119, 4904-4909; Angew. Chem. Int. Ed. 2007, 46, 4820-24

DOI: 10.1002/ange.200700730, 10.1002/anie.200700730

10

C. M. Thiele*

Use of RDCs in Rigid Organic Compounds and Some Practical Considerations concerning Alignment Media

Conc. Magn. Res. 2007, 30A, 65-80

DOI: 10.1002/cmr.a.20075

9

C. M. Thiele,* A. Marx, R. Berger, J. Fischer, M. Biel, A. Giannis

Determination of the relative configuration of a five-membered ring compound using RDCs

Angew. Chem. 2006, 118, 4566-4571, Angew. Chem. Int. Ed. 2006, 45, 4455-4460

DOI: 10.1002/ange.200503247, 10.1002/anie.200503247

8

C. M. Thiele*

Book Review: Essential NMR, B. Blümich

Macromol. Chem. Phys. 2006, 207, 910

DOI: 10.1002/macp.200600152

7

V. V. Klochkov, A. V. Klochkov, C. M. Thiele, S. Berger*

A Novel Liquid Crystalline System for Partial Alignment of Organic Molecules

J. Magn. Res. 2006, 179, 58-63

DOI: 10.1016/j.jmr.2005.09.012

6

C. M. Thiele*

Scaling the alignment of Polyglutamates by Variable Angle Sample Spinning

Angew. Chem. 2005, 117, 2847-2850, Angew. Chem. Int. Ed. 2005, 44, 2787-2790

DOI: 10.1002/ange.200461532, 10.1002/anie.200461532

5

C. M. Thiele*

Book Review: Structure Elucidation by NMR in Organic Chemistry, A practical guide. 3rd revised edn. by E. Breitmaier

Magn. Res. Chem. 2004, 42, 368

DOI: 10.1002/mrc.1348

4

C. M. Thiele*

Poly-γ-ethyl-Lglutamate as Alignment Medium for the Measurement of RDCs in Organic Substrates

J. Org. Chem.2004, 69, 7403-7413

DOI: 10.1021/jo049867w

3

C. M. Thiele,* T. N. Mitchell

Stille Coupling Reactions of functionalised triorganotin halides

Appl. Organomet. Chem.2004, 18, 83-85

DOI: 10.1002/aoc.585

2

C. M. Thiele,* T. N. Mitchell*

Hydrostannylation of Propargylic Alcohols Using Mixed Tin Hydrides

Eur. J. Org. Chem. 2004, 337-353

DOI: 10.1002/ejoc.200300489

1

C. M. Thiele,* S. Berger

Probing the Diastereotopicity of Methylene Protons in Strychnine Using Residual Dipolar Couplings

Org. Lett. 2003, 5, 705-708

DOI: 10.1021/ol0275163