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Mathematisch-Naturwissenschaftliche FakultätNMR - Abteilung

Veröffentlichungen

  1. B. Albrecht, E. Voronina, C. Schipke, O. Peters, M.K. Parr, M.D. Díaz-Hernández*, Nils E. Schlörer*. Pursuing Experimental Reproducibility: An Efficient Protocol for the Preparation of Cerebrospinal Fluid Samples for NMR-based Metabolomics and Analysis of Sample Degradation. Metabolites 2020, 10, 251. DOI: https://doi.org/10.3390/metabo10060251
  2. Nils E. Schlörer, S. Kuhn. Moleküle und Strukturbeweise teilen. Chem. Unserer Zeit 2020, 54, 7. DOI:10.1002/ciuz.201980070
  3. F. Thrun, V. Hickmann, C. Stock, A. Schäfer, W. Maier, M. Breugst, Nils E. Schlörer, A. Berkessel, J. H. Teles*. Technical Synthesis of 1,5,9-Cyclododecatriene Revisited: Surprising Byproducts from a Venerable Industrial Process. J. Org. Chem. 2019, 84, 13211-13220. DOI: 10.1021/acs.joc.9b01633
  4. M. Hahn, E. von Elert*, L. Bigler, M. D. Díaz Hernández*, N. E. Schlörer*. 5α‐Cyprinol sulfate: Complete NMR assignment and revision of earlier published data, including the submission of a computer‐readable assignment in NMReDATA format. Magn Reson Chem. 2018, 56, 1201–1207. DOI: 10.1002/mrc.4782
  5. M. Pupier, J.‐M. Nuzillard, J. Wist, N. E. Schlörer, S. Kuhn, M. Erdelyi, C. Steinbeck, A. J. Williams, C. Butts, T. D.W. Claridge, B. Mikhova, W. Robien, H. Dashti, H. R. Eghbalnia, C. Farès, C. Adam, P. Kessler, F. Moriaud, M. Elyashberg, D. Argyropoulos, M. Pérez, P. Giraudeau, R. R. Gil, P. Trevorrow, D. Jeannerat*, NMReDATA, a standard to report the NMR assignment and parameters of organic compounds. Magn Reson Chem. 2018, 56, 703– 715. DOI: 10.1002/mrc.4737
  6. B. Skrobo, N. E. Schlörer, J.-M. Neudörfl, J. Deska*, Kirmse–Doyle- and Stevens-Type Rearrangements of Glutarate-Derived Oxonium Ylides. Chem. Eur. J. 2018, 24, 3209-3217. DOI: 10.1002/chem.201704624
  7. L. Patiny, M. Zasso, D. Kostro, A. Bernal, A. M. Castillo, A. Bolaños, M. A. Asencio, N. Pellet, M. Todd, Nils E. Schloerer, S. Kuhn, E. Holmes, S. Javor, J. Wist*, The C6H6 NMR repository: An integral solution to control the flow of your data from the magnet to the public. Magn. Reson. Chem. 2018, 56, 520-528. DOI: 10.1002/mrc.4669
  8. J. C. Liermann, Nils E. Schlörer*, Data handling in NMR facilities and assignment of NMR spectra in synthetic chemistry labs: Why electronic structure validation should become part of the routine. Magn. Reson. Chem. 2018, 56, 513– 519. DOI: 10.1002/mrc.4675
  9. V. R. Yatham, W. Harnying, D. Kootz, J.-M Neudörfl., Nils E. Schlörer, A. Berkessel*, 1,​4-​Bis-​Dipp​/Mes-​1,​2,​4-​Triazolylidenes: Carbene Catalysts That Efficiently Overcome Steric Hindrance in the Redox Esterification of α- and β-​Substituted α,​β-​Enals. J. Am. Chem. Soc. 2016, 138, 2670-2677.
  10. A. Klein*, M. Neugebauer, A. Krest, A. Luening, S. Garbe, N. Arefyeva, Nils E. Schlörer, Five coordinate platinum(II) in [Pt(bpy)(cod)(Me)][SbF6]: a structural and spectroscopic study. Inorganics 2015, 3, 118-138.
  11. S. Kuhn*, Nils E. Schlörer*, Facilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2 - a free in-​house NMR database with integrated LIMS for academic service laboratories. Magn. Reson. Chem. 2015, 53, 582-589.
  12. V. R. Yatham, J.-M. Neudörfl, Nils E. Schlörer, A. Berkessel*, Carbene catalyzed umpolung of α,​β-​enals: a reactivity study of diamino dienols vs. azolium enolates, and the characterization of advanced reaction intermediates. Chem. Science 2015, 6, 3706-3711.
  13. J. Dib, Nils E. Schlörer, W. Schänzer, M. Thevis*, Studies on the collision-​induced dissociation of adipoR agonists after electrospray ionization and their implementation in sports drug testing. J. Mass Spectrom. 2015, 50, 407-417.
  14. M. Prechtl*, Nils E. Schlörer, L. Heim, Wastewater treatment and hydrogen production and catalysts therefore. PCT Int. Appl. 2015, WO 2015003680 A1 20150115.
  15. L. Heim, M. Prechtl*, Nils E. Schlörer, H2-​production from contaminated wastewater and catalysts therefore. Ger. Offen. 2015, DE 102013011379 A1 20150115.
  16. S. Hoeppner, Nils E. Schlörer, W. Schänzer, M. Thevis*, Synthesis of four SIRT1 activators based on an imidazo[1,​2-​b]​thiazole structure, in vitro derived metabolites and deuterated analogs. Open Org. Chem. J. 2014, 8, 19-23.
  17. A. Soicke, C. Reuter, M. Winter, J.-M. Neudörfl, Nils E. Schlörer, R. Kühne, H.-G. Schmalz*, Stereoselective Synthesis of Tricyclic Diproline Analogues that Mimic a PPII Helix: Structural Consequences of Ring-​Size Variation Quick View Other Sources. Eur. J. Org. Chem. 2014, 6467-6480.
  18. H. Klare, S. Hanft, J.M. Neudörfl, Nils E. Schlörer, A. Griesbeck, B. Goldfuss*, Anion Recognition with Hydrogen-Bonding Cyclodiphosphazanes. Chem. Eur. J. 2014, 20, 11847–11855.
  19. L. Fiebig, Nils Schlörer, H.-G. Schmalz, M. Schäfer*, Aryl–Phenyl Scrambling in Intermediate Organopalladium Complexes: A Gas-Phase Study of the Mizoroki–Heck Reaction. Chem. Eur. J. 2014, 20, 4906–4910.
  20. M.K. Parr, P. Zhao, O. Haupt, S. Tchoukouegno Ngueu, J. Hengevoss, K.H. Fritzemeier, M. Piechotta, Nils Schlörer, P. Muhn, W.-Y. Zheng, M.-Y. Xie, P. Diel*, Estrogen receptor beta is involved in skeletal muscle hypertrophy induced by the phytoecdysteroid ecdysterone. Mol. Nutr. Food Res. 2014, 58, 1861–1872.
  21. F.-G. Hanisch*, D. Bonar, Nils Schlörer, H. Schroten, Human Trefoil Factor 2 Is a Lectin That Binds α-GlcNAc-capped Mucin Glycans with Antibiotic Activity against Helicobacter pylori. J. Biol. Chem. 2014, 289, 27363-27375.
  22. L.E. Heim, Nils E. Schlörer, J.-H. Choi, M.H.G. Prechtl*, Selective and mild hydrogen production using water and formaldehyde. Nature Commun. 2014, 5, article number: 3621, doi:10.1038/ncomms4621.
  23. C.O. Heras-Bautista, A. Katsen-Globa, Nils E. Schlörer, S. Dieluweit, O.M. Abd El Aziza, G. Peinkofer, Wael A. Attiaa, M. Khalil, K. Brockmeier, J. Hescheler, K. Pfannkuche*, The influence of physiological matrix conditions on permanent culture of induced pluripotent stem cell-derived cardiomyocytes. Biomaterials 2014, 35, 7374–7385.
  24. J.-H. Choi, Nils E. Schlörer, J. Berger, M.H.G. Prechtl*, Synthesis and characterisation of ruthenium dihydrogen complexes and their reactivity towards B-H bonds. Dalton Trans. 2014, 43, 290-299.
  25. S. Kuhn*, Nils E. Schlörer*, Strukturaufklärung mit NMR in der Synthesechemie. Nachr. Chem. 2012, 60, 1106-1107.
  26. A. Berkessel*, S. Elfert, V.R. Yatham, J.-M.Neudörfl, Nils E. Schlörer, J.H.Teles, Umpolung by N-Heterocyclic Carbenes: Generation and Reactivity of the Elusive 2,2-Diamino Enols (Breslow Intermediates). Angew. Chem. 2012, 124, 12537-12541; Angew. Chem., Int. Ed. 2012, 49, 12370-12374.
  27. A. Berkessel*, S.S. Vormittag, Nils E. Schlörer, J.-M.Neudörfl, TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl-1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Bronsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures. J. Org. Chem. 2012, 77, 10145-10157.
  28. M. K. Parr*, A. Zöllner, G. Fusshöller, G. Opfermann, Nils Schlörer, M. Zorio, M. Bureik, W. Schänzer, Unexpected contribution of cytochrome P450 enzymes CYP11B2 and CYP21, as well as CYP3A4 in xenobiotic androgen elimination - Insights from metandienone metabolism. Toxicol.Lett. 2012, 213, 381-391.
  29. A. Weyer, D. Díaz, A. Nierth, Nils E. Schlörer, A. Berkessel*, The L-Leu Hexamer, a Short and Highly Enantioselective Peptide Catalyst for the Juliá-Colonna Epoxidation: Stabilization of a Helical Conformation in DMSO. ChemCatChem, 2012, 4, 337-340.
  30. M. Thevis*, G. Sigmund, V. Gougoulidis, S. Beuck, Nils Schlörer, A. Thomas, D. Kwiatkowska, A. Pokrywka, W. Schänzer, Screening for benfluorex and its major urinary metabolites in routine doping controls. Analytical and Bioanalytical Chemistry,2011, 401(2), 543-551.
  31. M. K. Parr*, G. Fußhöller, Nils Schlörer, G. Opfermann, H. Geyer, G. Rodchenkov, W. Schänzer, Detection of delta-6-Methyltestosterone in a "Dietary Supplement" and GC-MS/MS Investigations on its Urinary Metabolism. Toxicology Letters 2011, 201, 101-104.
  32. P.B. Kraikivskii*, H.-F. Klein, V.V. Saraev, Nils E.Schlörer, V.V.Bocharova, Intramolecular rearrangement of the imine-amide ligand within the nickel coordination sphere affected by carbon monoxide. J.Organomet. Chem. 2011, 696(21), 3376-3383.
  33. J. S. Neufeind, N. Hülsken, J.-M. Neudörfl, Nils Schlörer, H. G. Schmalz*, Total Synthesis of cyclo-Mumbaistatin Analogs through Anionic Homo-Fries Rearrangement. Chem. Eur. J. 2011, 17(9), 2633-2641.
  34. A. Zöllner, M. K. Parr*, D.-A. Dragan, S. Dräs, Nils Schlörer, F. T. Peters, H. H. Maurer, W. Schänzer, M. Bureik, CYP21-catalyzed production of the long-term urinary metandienone metabolite 17b-hydroxymethyl-17a-methyl-18-norandrosta-1,4,13-trien-3-one: a contribution to the fight against doping. Biol. Chem. 2010, 391(1), 119 - 127.
  35. M. Leven, Nils E. Schlörer, J. M. Neudörfl, B. Goldfuss*, Control of Enantioselectivity with Flexible Biaryl Axes: Terpene-Based Alkylzinc Catalysts in Enantioselective Dialkylzinc Additions. Chem. Eur. J. 2010, 16(45), 13443 - 13449.
  36. M. Thevis, E. Gerace, A. Thomas, S. Beuck, H. Geyer, Nils Schlörer, J. D. Kearbey, J. T. Dalton, W. Schänzer*, Characterization of in vitro generated metabolites of the selective androgen receptor modulators S-22 and S-23 and in vivo comparison to post-administration canine urine specimens). Drug Testing and Analysis 2010, 2(11-12), 589-598.
  37. S. Beuck, T. Schwabe, S. Grimme, Nils Schlörer, M. Kamber, W. Schänzer, M. Thevis*, Unusual Mass Spectrometric Dissociation Pathway of Protonated Isoquinoline-3-Carboxamides Due to Multiple Reversible Water Adduct Formation in the Gas Phase. J. Am. Soc. Mass Spectrom. 2009, 20(11), 2034-2048.
  38. J. Cvengroš, J. Schütte, Nils Schlörer, J. Neudörfl, H.-G. Schmalz*, Electrophilic Activation of Benzaldehydes through ortho Palladation: One-Pot Synthesis of 3-Methylene-indan-1-ols through a Domino Allylstannylation/Heck Reaction under Neutral Conditions. Angew. Chem. 2009, 121, 6264-6267; Angew. Chem., Int. Ed. 2009, 48, 6148-6151.
  39. M. Thevis, S. Beuck, A. Thomas, G. Fusshöller, G. Sigmund, Nils Schlörer, G. Rodchenkov, M. Schäfer, W. Schänzer, Electron ionization mass spectrometry of the ryanodine receptor-based Ca2+-channel stabilizer S-107 and its implementation into routine doping control. Rapid Commun. Mass Spectrom. 2009, 23(15), 2363-2370.
  40. S. Beuck, T. Schwabe, S. Grimme, Nils Schlörer, M. Kamber, W. Schänzer, M. Thevis*, Unusual Mass Spectrometric Dissociation Pathway of Protonated Isoquinoline-3-Carboxamides Due to Multiple Reversible Water Adduct Formation in the Gas Phase. J. Am. Soc. Mass Spectrom. 2009, 20(11), 2034-2048.
  41. S. Kemper, P. Hrobárik, M. Kaupp*, Nils E. Schlörer*, Jacobsen's Catalyst for Hydrolytic Kinetic Resolution: Structure Elucidation of Paramagnetic Co(III) Salen Complexes in Solution via Combined NMR and Quantum Chemical Studies. J. Am. Chem. Soc. 2009, 131(12), 4172-4173.
  42. M. K. Parr*, G. Fusshöller, Nils Schlörer, G. Opfermann, T. Piper, G. Rodchenkov, W. Schaenzer, Metabolism of androsta-1,4,6-triene-3,17-dione and detection by gas chromatography/mass spectrometry in doping control. Rapid Commun. Mass Spectrom. 2009, 23(2), 207-218.
  43. M. Thevis, S. Beuck, A. Thomas, M. Kohler, Nils Schlörer, I. Vajiala, W. Schänzer, Screening for the calstabin-ryanodine receptor complex stabilizers JTV-519 and S-107 in doping control analysis. Drug Testing and Analysis. 2009, 1(1), 32-42.
  44. M. Thevis*, M. Kohler, Nils Schlörer, G. Fußhöller, W. Schänzer, Screening for two selective androgen receptor modulators using gas chromatography-mass spectrometry in doping control analysis. Eur. J. Mass Spectrom. 2008, 14(3),153-161.
  45. M. Thevis*, M. Kohler, Nils Schlörer, W. Schänzer, Doping control analysis of tricyclic tetrahydroquinoline-derived selective androgen receptor modulators using liquid chromatography-electrospray ionization tandem mass spectrometry. Rapid Commun. Mass Spectrom. 2008, 22(16),2471-2478.
  46. M. Thevis*, M. Kohler, A. Thomas, J. Maurer, N. Schlörer, M. Kamber, W. Schänzer, Determination of benzimidazole- and bicyclic hydantoin-derived selective androgen receptor antagonists and agonists in human urine using LC-MS/MS. Anal. Bioanal. Chem. 2008, 391(1),251-261.
  47. M. K. Parr*, R. Kazlauskas, Nils Schlörer, G. Opfermann, T. Piper, G. Schulze, W. Schänzer, 6?-Methylandrostenedione: gas chromatographic mass spectrometric detection in doping control. Rapid Commun. Mass Spectrom. 2008, 22(3),321-329.
  48. M. Thevis*, M. Kohler, Nils Schlörer, M. Kamber, A. Kühn, M. W. Linscheid, W. Schänzer, Mass spectrometry of hydantoin-derived selective androgen receptor modulators. J. Mass Spectrom. 2007, 43(5),639-650.
  49. M. Thevis*, M. Kohler, Nils Schlörer, W. Schänzer, Gas Phase Reaction of Substituted Isoquinolines to Carboxylic Acids in Ion Trap and Triple Quadrupole Mass Spectrometers after Electrospray Ionization and Collision-Induced Dissociation. J. Am. Soc. Mass Spectrom. 2007, 19,151-158.
  50. M. Thevis, M. Kohler, J. Maurer, Nils Schlörer, M. Kamber, W. Schänzer*, Screening for 2-quinolinone-derived selective androgen receptor agonists in doping control analysis. Rapid Commun. Mass Spectrom. 2007, 21 (21), 3477-3486.
  51. M. Kohler, M. K. Parr, G. Opfermann, Nils Schlörer, M. Thevis, F.-J. Marner, W. Schänzer*, Metabolism of 4-Hydroxyandrostenedione and 4-Hydroxytestosterone: Mass Spectrometric Identification of Urinary Metabolites. Steroids 2007, 72, 278-286.
  52. Nils Schloerer, V. Pons, D. G. Gusev*, and D. M. Heinekey*, Structure and Dynamics of a Compressed Dihydride Complex of Osmium. Organometallics 2006, 25(14), 3481-3485.
  53. R. Giernoth*, D. Bankmann, Nils Schlörer, High performance NMR in ionic liquids. Green Chem. 2005, 7, 279-282.
  54. Nils E. Schlörer, E. J. Cabrita, S. Berger*, Characterization of Reactive Intermediates by Diffusion-Ordered NMR Spectroscopy: A Snapshot of the Reaction of 13CO2 with [Cp2Zr(Cl)H]. Angew. Chemie, Int. Ed. 2002, 41(1), 107-109.
  55. Nils E. Schlörer, S. Berger*, First Spectroscopical Evidence of a Dioxomethylene Intermediate in the Reaction of CO2 with Cp2Zr(H)Cl: a 13C NMR Study. Organometallics 2001, 20, 1703-1704.

 

ResearcherID: C-3868-2013