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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, e202400117.

DOI: 10.1002/cphc.202400117


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


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, e202304016.

DOI: 10.1002/chem.202304016


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


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


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


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


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


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


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

[Author Link]


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. 2023, in print.

DOI: 10.1021/acs.joc.2c02594


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


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


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


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]


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


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


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]


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]


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]


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


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


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


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)


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


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


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]


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


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


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]


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


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


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


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


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


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


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


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]


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


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


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


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


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]


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


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


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


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


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]


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]


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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

4. Chinesisch-Deutsches Symposium “Frontiers of Chemistry”

Nachr. Chem. 2012, 60, 1234-1235

DOI: 10.1002/nadc.201290454


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


C. M. Thiele*

Residual Dipolar Couplings (RDCs) in Organic Structure Determination

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

DOI: 10.1002/ejoc.200800686


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


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


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


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


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


C. M. Thiele*

Book Review: Essential NMR, B. Blümich

Macromol. Chem. Phys. 2006, 207, 910

DOI: 10.1002/macp.200600152


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


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


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


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


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


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


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