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Structure of Epithio-cycloallin
Structure of Epithio-cycloallin
Top of Page 2022-2009
[60]
NMR-Based Configurational Assignments of Natural Products: How Floating Chirality Distance Geometry Calculations Simplify Gambling with 2n–1 Diastereomers.
S. Immel, M. Köck and M. Reggelin, J. Nat. Prod. 2022, 85(7), 1837-1849.
Link: https://dx.doi.org/10.1021/acs.jnatprod.2c00427
[59]
Bayesian Inference Applied to NMR-Based Configurational Assignments by Floating Chirality Distance Geometry Calculations.
S. Immel, M. Köck and M. Reggelin, J. Am. Chem. Soc. 2022, 144(15), 6830-6838.
Link: https://dx.doi.org/10.1021/jacs.2c00813
[58]
NMR-Based Configurational Assignments of Natural Products: Gibbs Sampling and Bayesian Inference Using Floating Chirality Distance Geometry Calculations.
S. Immel, M. Köck and M. Reggelin, Mar. Drugs 2022, 20(1), 14.
Link: https://dx.doi.org/10.3390/md20010014
[57]
Poly(Arylisocyanides) as Versatile, Enantiodiscriminating Alignment Media for Small Molecules.
S. Wesp, K. Wolf, S. Immel and M. Reggelin, ChemPlusChem 2022, 87(1), e202100507.
Link: https://dx.doi.org/10.1002/cplu.202100507
[56]
Study and Quantification of Enantiodiscrimination Power of Four Polymeric Chiral Llcs Using NAD 2D-NMR.
P. Berdagué, B. Gouilleux, M. Noll, S. Immel, M. Reggelin and P. Lesot, Phys. Chem. Chem. Phys. 2022, 24(12), 7338-7348.
Link: https://dx.doi.org/10.1039/D1CP04915A
[55]
Configurational Analysis by Residual Dipolar Couplings: Critical Assessment of “Structural Noise” from Thermal Vibrations.
M. Reggelin and S. Immel, Angew. Chem. Int. Ed. 2021, 60(7), 3412-3416.
Link: https://dx.doi.org/10.1002/anie.202011081
[54]
M. Köck, M. Reggelin and S. Immel, The Advanced Floating Chirality Distance Geometry Approach - How Anisotropic NMR Parameters Can Support the Determination of the Relative Configuration of Natural Products, in Selected Papers from XVI Manapro and XI Ecmnp. 2021, MDPI, Basel, Switzerland. p. 1-22.
[53]
Model-Free Approach for the Configurational Analysis of Marine Natural Products.
M. Köck, M. Reggelin and S. Immel, Mar. Drugs 2021, 19(6), 283.
Link: https://dx.doi.org/10.3390/md19060283
[52]
The Advanced Floating Chirality Distance Geometry Approach―How Anisotropic NMR Parameters Can Support the Determination of the Relative Configuration of Natural Products.
M. Köck, M. Reggelin and S. Immel, Mar. Drugs 2020, 18(6), 330.
Link: https://dx.doi.org/10.3390/md18060330
[51]
Configurational Analysis by Residual Dipolar Couplings: A Critical Assessment of Diastereomeric Differentiabilities.
S. Immel, M. Köck and M. Reggelin, Chirality 2019, 31(5), 384-400.
Link: https://dx.doi.org/10.1002/chir.23065
[50]
Configurational Analysis by Residual Dipolar Coupling Driven Floating Chirality Distance Geometry Calculations.
S. Immel, M. Köck and M. Reggelin, Chem. Eur. J. 2018, 24(52), 13918-13930.
Link: https://dx.doi.org/10.1002/chem.201802800
[49]
Enterococcus Faecalis Utilizes Maltose by Connecting Two Incompatible Metabolic Routes Via a Novel Maltose 6'-Phosphate Phosphatase (Mapp).
A. Mokhtari, V.S. Blancato, G.D. Repizo, C. Henry, A. Pikis, A. Bourand, M.d.F. Alvarez, S. Immel, A. Mechakra-Maza, A. Hartke, J. Thompson, C. Magni and J. Deutscher, Mol. Microbiol. 2013, 88(2), 234-253.
Link: https://dx.doi.org/10.1111/mmi.12183
[48]
The Oxy-Cope Rearrangement of Aldol Products. A Combined Experimental and Theoretical Study.
C.F. Weise, S. Immel, F. Richter and C. Schneider, Eur. J. Org. Chem. 2012, 2012(8), 1520-1529, S1520/1-S1520/18.
Link: https://dx.doi.org/10.1002/ejoc.201101690
[47]
Poly(para-Phenylene Vinylene)s. N. Vilbrandt, S. Nickel, S. Immel, M. Rehahn, K. Stegmaier, C. Melzer and H. von Seggern, in Synthesis of Polymers: New Structures and Methods, Eds. D. A. Schlüter, C. Iawker, J. Sakamoto, 2012, Wiley-VCH, 1. Auflage, pp. 901-922.
[46]
The Gilch Synthesis of Poly(p-Phenylene Vinylenes): Mechanistic Knowledge in the Service of Advanced Materials.
T. Schwalm, J. Wiesecke, S. Immel and M. Rehahn, Macromol. Rapid Commun. 2009, 30(15), 1295-1322.
Link: https://dx.doi.org/10.1002/marc.200900104
Top of Page 2008
[45]
Insight into Sonogashira Cross-Coupling via High-Throughput Kinetics and Descriptor Modelling.
M. an der Heiden, H. Plenio, S. Immel, E. Burello, G. Rothenberg, and H. C. J. Hoefsloot, Chem. Eur. J. 2008, 14, 2857-2866.
Online Text (DOI 10.1002/chem.200701418)
Top of Page 2007
[44]
Toward Controlled Gilch Synthesis of Poly(p-phenylene vinylenes): Anionic vs Radical Chain Propagation, a Mechanistic Reinvestigation.
T. Schwalm, J. Wiesecke, S. Immel, and M. Rehahn, Macromolecules 2007, 40, 8842-8854.
Full Text PDF (301 KBytes)
[43]
Massadine Chloride: A Biosynthetic Precursor of Massadine and Stylissadine.
A. Grube, S. Immel, P. S. Baran, and M. Köck, Angew. Chem. 2007, 119, 6842-6845, 8253; Angew. Chem. Int. Ed. Engl. 2007,46, 6721-6724, 8107.
Online Text (Angew. Chem.) + Correction + Innentitel / Online Text (Angew. Chem. Int. Ed.) + Correction + Inside Cover
[42]
On the alkoxybromination of glucal esters: 2-Acetamido-α-D-mannosyl bromides from 2-acetamidoglucal.
A. Benz, S. Immel, and F. W. Lichtenthaler, Tetrahedron: Asymmetry 2007, 18, 1108-1114.
Full Text PDF (605 KBytes)
Top of Page 2006
[41]
Electron Paramagnetic Resonance Structure Investigation of Copper Complexation in a Hemicarcerand.
A. Gembus, B. Corzilius, R.-A. Eichel, K.-P. Dinse, S. Immel, D. Stumm, M. Flauaus, and H. Plenio, J. Phys. Chem. B 2006, 110, 15012-15020.
Online Text / Full Text PDF (724 KBytes) / Supporting Information PDF (264 KBytes)
Top of Page 2005
[40]
The First Synthesis of a Cycloallin Derivative from β-Cyclodextrin: Heptakis(2,3-dideoxy-2,3-epithio)-β-cycloallin.
M. Fukudome, T. Shiratani, Y. Nogami, D.-Q. Yuan, K. Fujita, and S. Immel, Angew. Chem. 2005, 117, 4273-4276; Angew. Chem. Int. Ed. Engl. 2005,44, 4201-4204.
Online Text (Angew. Chem.) / Online Text (Angew. Chem. Int. Ed.)
[39]
1H-NMR Studies on the Hydrogen Bonding Network in Mono-altro-β-cyclodextrin and its Complex with Adamantane-1-carboxylic Acid.
B. Hakkarainen, K. Fujita, S. Immel, L. Kenne, and C. Sandström,, Carbohydr. Res. 2005, 340, 1539-1545.
Full Text PDF (260 KBytes)
Top of Page 2004
[38]
Sugar-Derived Building Blocks, XXIV.
[4+2] and [2+2] Photocycloadditions of 1,2-Diketones to Glycal and Hydroxyglycal Esters.
F. W. Lichtenthaler, T. Weimer, and S. Immel, Tetrahedron: Asymmetry 2004, 15, 2703-2709.
Abstract / Full Text PDF (428 KBytes)
Top of Page 2003
[37]
Molecular Modeling of Saccharides, Part XXXI.
The First Successful Crystallographic Characterization of a Cyclodextrin Dimer: Efficient Synthesis and Molecular Geometry of a Doubly Sulfur-bridged β-Cyclodextrin.
D.-Q. Yuan, S. Immel, K. Koga, M. Yamaguchi, and K. Fujita, Chem. Eur. J. 2003, 9, 3501-3506.
Online Text
Top of Page 2002
[36]
Metabolism of Sucrose and Its Five α-D-Glucosyl-D-fructose Isomers by Fusobacterium mortiferum.
A. Pikis, S. Immel, S. A. Robrish, and J. Thompson, Microbiology 2002, 148, 843-852.
Abstract / Full Text PDF (1292 KBytes)
Top of Page 2001
[35]
Molecular Modeling of Saccharides, Part XXX.
Two Stereoisomeric 3I,2II-Anhydro-α-cyclodextrins: A Molecular Dynamics and Crystallographic Study.
S. Immel, K. Fujita, M. Fukudome, and M. Bolte, Carbohydr. Res. 2001, 336, 297-308.
Abstract / Full Text PDF (4676 KBytes) / Additional Graphics
[34]
Molecular Modeling of Saccharides, Part XXIX.
Hydroxymethyl-substituted Crown Acetals with 35-C-14 and 40-C-16 Skeletal Backbones: Synthesis and Molecular Geometries.
S. Immel, F. W. Lichtenthaler, H. J. Lindner, and T. Nakagawa, Tetrahedron: Asymmetry 2001, 12, 2767-2774.
Abstract / Full Text PDF (2188 KBytes) / Additional Graphics
[33]
Metabolism of Sucrose and Its Five Linkage-isomeric α-D-Glucosyl-D-fructoses by Klebsiella pneumoniae.
J. Thompson, S. A. Robrish, S. Immel, F. W. Lichtenthaler, B. G. Hall, and A. Pikis, J. Biol. Chem. 2001, 276, 37415-37425.
Abstract / Full Text PDF (3024 KBytes)
Top of Page 2000
[32]
Molecular Modeling of Saccharides, Part XXVIII.
Atropdiastereoisomers of Ellagitannin Model Compounds: Configuration, Conformation, and Relative Stability of D-Glucose Diphenoyl Derivatives.
S. Immel, K. Khanbabaee, Tetrahedron: Asymmetry 2000, 11, 2495-2507.
Abstract / Full Text PDF (4232 KBytes)
[31]
Molecular Modeling of Saccharides, Part XXVII.
Synthesis and Molecular Geometry of an Achiral 30-Crown-12 Polyacetal from α-Cyclodextrin.
S. Immel, T. Nakagawa, H. J. Lindner, and F. W. Lichtenthaler, Chem. Eur. J. 2000, 6, 3366-3371.
Online Text / Additional Graphics
[30]
Molecular Modeling of Saccharides, Part XXVI.
The 2,3-Anhydro-α-Cyclomannin - 1-Propanol Hexahydrate: Topography, Lipophilicity Pattern, and Solid-state Architecture.
S. Immel, F. W. Lichtenthaler, H. J. Lindner, K. Fujita, M. Fukudome, and Y. Nogami, Tetrahedron: Asymmetry 2000, 11, 27-36.
Abstract / Full Text PDF (5836 KBytes) / Additional Graphics
[29]
Molecular Modeling of Saccharides, Part XXV.
Structure and Lipophilicity Profile of 2,3-Anhydro-α-Cyclomannin and its Ethanol Inclusion Complex.
S. Immel, K. Fujita, H. J. Lindner, Y. Nogami, and F. W. Lichtenthaler, Chem. Eur. J. 2000, 6, 2327-2333.
Online Text / Additional Graphics
[28]
Molecular Modeling of Saccharides, Part XXIV.
The Hydrophobic Topographies of Amylose and its Blue Iodine Complex.
S. Immel and F. W. Lichtenthaler, Starch/Stärke 2000, 52, 1-8.
Online Text / Additional Graphics
[27]
Molecular Modeling of Saccharides, Part XXIII.
Topography of the 1:1 α-Cyclodextrin - Nitromethane Inclusion Complex.
T. Nakagawa, S. Immel, F. W. Lichtenthaler, and H. J. Lindner, Carbohydr. Res. 2000, 324, 141-146.
Abstract / Full Text PDF (3048 KBytes) / Additional Graphics
[26]
Flexible Non-glucose Cyclooligosaccharides.
S. Immel, Proceedings of the 10th Internat. Symp. on Cyclodextrins (Ed.: J. Szejtli), Mia Digital Publ., Ann Arbor, Michigan, 2000, pp. 24-31.
Abstract / Full Text PDF (2072 KBytes)
[25]
Large-ring Crown Acetals from Cyclodextrins.
T. Nakagawa, S. Immel, H. J. Lindner, and F. W. Lichtenthaler, Proceedings of the 10th Internat. Symp. on Cyclodextrins (Ed.: J. Szejtli), Mia Digital Publ., Ann Arbor, Michigan, 2000, pp. 18-23.
Abstract / Full Text PDF (2432 KBytes) / Additional Graphics
Top of Page 1999
[24]
Molecular Modeling of Saccharides, Part XXII.
Conformations and Lipophilicity Profiles of some Cyclic β(1→3)- and β(1→6)-linked Oligogalactofuranosides.
H. Gohlke, S. Immel, and F. W. Lichtenthaler, Carbohydr. Res. 1999, 321, 96-104.
Abstract / Full Text PDF (7292 KBytes) / Additional Graphics
[23]
Molecular Modeling of Saccharides, Part XXI.
Solution Geometries and Lipophilicity Patterns of α-Cycloaltrin.
S. Immel, K. Fujita, and F. W. Lichtenthaler, Chem. Eur. J. 1999, 5, 3185-3192.
Online Text / Additional Graphics
[22]
Molecular Modeling of Saccharides, Part XX.
Guest-Induced Conformational Change in a Flexible Host: Mono-Altro-β-Cyclodextrin.
K. Fujita, W.-H. Chen, D.-Q. Yuan, Y. Nogami, T. Koga, T. Fujioka, K. Mihashi, S. Immel, and F. W. Lichtenthaler, Tetrahedron: Asymmetry 1999, 10, 1689-1696.
Abstract / Full Text PDF (3592 KBytes) / Additional Graphics
Top of Page 1998
[21]
Molecular Modeling of Saccharides, Part XVIII.
α-Cycloaltrin: Conformation and Properties in the Solid-State and Aqueous Solution.
S. Immel, G. E. Schmitt, and F. W. Lichtenthaler, Proceedings of the 9th Internat. Symp. on Cyclodextrins (Eds.: J. J. Torres-Labandeira and J. L. Vila Jato), Kluwer Acad. Publ., Dordrecht, NL, 1998, pp. 41-48.
Abstract / Full Text PDF (2796 KBytes) / Bookcover / Additional Graphics
[20]
Molecular Modeling of Saccharides, Part XVII.
Molecular Geometries of Furanoid β(1→3)- and β(1→6)-linked Cyclogalactins.
H. Gohlke, S. Immel, F. W. Lichtenthaler, and G. E. Schmitt, Proceedings of the 9th Internat. Symp. on Cyclodextrins (Eds.: J. J. Torres-Labandeira and J. L. Vila Jato), Kluwer Acad. Publ., Dordrecht, NL, 1998, pp. 63-68.
Abstract / Full Text PDF (3476 KBytes) / Additional Graphics
[19]
Molecular Modeling of Saccharides, Part XVI.
The Molecular Geometries of Cyclofructins.
S. Immel, G. E. Schmitt, and F. W. Lichtenthaler, Proceedings of the 9th Internat. Symp. on Cyclodextrins (Eds.: J. J. Torres-Labandeira and J. L. Vila Jato), Kluwer Acad. Publ., Dordrecht, NL, 1998, pp. 57-62.
Abstract / Full Text PDF (4404 KBytes) / Additional Graphics
[18]
Molecular Modeling of Saccharides, Part XIX.
Cyclofructins with Six to Ten β(1→2)-linked Fructofuranose Units: Geometries, Electrostatic Profiles, Lipophilicity Patterns, and Potential for Inclusion Complex Formation.
S. Immel, G. E. Schmitt, and F. W. Lichtenthaler, Carbohydr. Res. 1998, 313, 91-105.
Abstract / Full Text PDF (8016 KBytes) / Additional Graphics
Top of Page 1997
[17]
Molecular Modeling of Saccharides, Part XV.
Synthesis, Structure, and Conformational Features of α-Cycloaltrin: a Cyclooligosaccharide with alternating 4C1 and 1C4 Pyranose Chairs.
Y. Nogami, K. Nasu, T. Koga, K. Ohta, K. Fujita, S. Immel, H. J. Lindner, G. E. Schmitt, and F. W. Lichtenthaler, Angew. Chem. 1997, 109, 1987-1991; Angew. Chem. Int. Ed. Engl. 1997,35, 1899-1902.
Online Text (Angew. Chem. Int. Ed.) / Additional Graphics
Top of Page 1996
[16]
Molecular Modeling of Saccharides, Part XIV.
The Lipophilicity Patterns of Cyclodextrins and of Non-glucose Cyclooligosaccharides.
F. W. Lichtenthaler and S. Immel, J. Inclusion Phenom. Mol. Recognit. Chem. 1996, 25, 3-16.
F. W. Lichtenthaler and S. Immel, Proceedings of the 8th Internat. Symp. on Cyclodextrins (Eds.: J. Szejtli and L. Szente), Kluwer Acad. Publ., Dordrecht, NL, 1996, pp. 3-16.
Abstract / Full Text PDF (10560 KBytes) / Bookcover / Additional Graphics
[15]
Molecular Modeling of Saccharides, Part XIII.
Permethylated α- and β-CD: Cyclodextrins with Inverse Hydrophobicity.
S. Immel and F. W. Lichtenthaler, Starch/Stärke 1996, 48, 225-232.
Abstract / Full Text PDF (10624 KBytes) / Additional Graphics
[14]
Molecular Modeling of Saccharides, Part XII.
Sucrose as a Renewable Organic Raw Material: New Selective Entry Reactions via Computer Simulation of its Solution Conformations and its Hydroxyl Group Reactivities.
F. W. Lichtenthaler, P. Pokinskyj, and S. Immel, Zuckerindustrie (Berlin) 1996, 12, 170-190.
Abstract / Full Text PDF (24212 KBytes) / Additional Graphics
[13]
Molecular Modeling of Saccharides, Part XI.
Towards Understanding the Formation and Stability of Cyclodextrin Inclusion Complexes: The Lipophilicity Patterns of some Typical Examples.
F. W. Lichtenthaler and S. Immel, Starch/Stärke 1996, 48, 145-154.
Abstract / Full Text PDF (14584 KBytes) / Additional Graphics
[12]
Molecular Modeling of Saccharides, Part X.
Molecular Electrostatic and Lipophilic Potential Profiles of α-Cyclofructin: Computation, Visualization, and Conclusions.
S. Immel and F. W. Lichtenthaler, Liebigs Ann. Chem. 1996, 39-44.
Abstract / Full Text PDF (7084 KBytes) / Additional Graphics
[11]
Molecular Modeling of Saccharides, Part IX.
On the Hydrophobic Characteristics of Cyclodextrins: Computer-Aided Visualization of Molecular Lipophilicity Patterns.
F. W. Lichtenthaler and S. Immel, Liebigs Ann. Chem. 1996, 27-37.
Abstract / Full Text PDF (14920 KBytes) / Additional Graphics
Top of Page 1995
[10]
Molecular Modeling of Saccharides, Part VIII.
Selective 2-O-Benzylation of Sucrose: A Facile Entry to its 2-Deoxy- and 2-Keto-Derivatives and to Sucrosamine.
F. W. Lichtenthaler, S. Immel, and P. Pokinskyj, Liebigs Ann. Chem. 1995, 1938-1947.
Abstract / Full Text PDF (11696 KBytes) / Additional Graphics
[9]
Molecular Modeling of Saccharides, Part VII.
The Conformation of Sucrose in Water: a Molecular Dynamics Approach.
S. Immel and F. W. Lichtenthaler, Liebigs Ann. Chem. 1995, 1925-1937.
Abstract / Full Text PDF (17080 KBytes) / Additional Graphics
[8]
Molecular Modeling of Saccharides, Part VI.
Small Ring Cyclodextrins: their Geometries and Hydrophobic Topographies.
S. Immel, J. Brickmann, and F. W. Lichtenthaler, Liebigs Ann. Chem. 1995, 929-942.
Abstract / Full Text PDF (17012 KBytes) / Additional Graphics
[7]
Molecular Modeling of Saccharides, Part V.
Computer Simulation of Chemical and Biological Properties of Sucrose, the Cyclodextrins, and Amylose.
F. W. Lichtenthaler and S. Immel, Int. Sugar J. 1995, 97, 12-22.
Abstract / Full Text PDF (15276 KBytes) / Additional Graphics
Top of Page 1994
[6]
Molecular Modeling of Saccharides, Part IV.
Cyclodextrins, Cyclomannins, and Cyclogalactins with five and six (1→4)-linked Sugar Units: a Comparative Assessment of their Conformations and Hydrophobicity Potential Profiles.
F. W. Lichtenthaler and S. Immel, Tetrahedron: Asymmetry 1994, 5, 2045-2060.
Abstract / Full Text PDF (11600 KBytes) / Additional Graphics
[5]
A Practical Synthesis of β-D-Xyl-(1→2)-β-D-Man-(1→4)-β-D-Glc-OMe, a Trisaccharide Component of the Glycosphingolipid of Hyriopsis schlegelii.
F. W. Lichtenthaler, T. Schneider-Adams, and S. Immel, J. Org. Chem. 1994, 59, 6735-6738.
Abstract / Full Text PDF (1304 KBytes)
Top of Page 1993
[4]
Solid-state Conformations of 2,6-cis- and 2,6-trans-substituted Dihydropyran-3-ones.
F. W. Lichtenthaler, S. Rönninger, H. J. Lindner, S. Immel, and E. Cuny, Carbohydr. Res. 1993, 249, 305-326.
Abstract / Full Text PDF (10268 KBytes)
[3]
Molecular Modeling of Saccharides, Part III.
Sucrose, Sucralose, and Fructose: Correlations Between Hydrophobicity Potential Profiles and AH-B-X Assignments.
F. W. Lichtenthaler and S. Immel, in: Sweet Taste Chemoreception (Eds.: M. Mathlouthi, J. A. Kanters, and G. G. Birch), Elsevier Appl. Science, London/New York, 1993, pp. 21-53.
Abstract / Full Text PDF (21428 KBytes) / Additional Graphics
Top of Page 1992
[2]
Some Disaccharide-derived Building Blocks of Potential Industrial Utility.
F. W. Lichtenthaler, S. Immel, D. Martin, and V. Müller, Starch/Stärke 1992, 44, 445-456.
Abstract / Full Text PDF (14632 KBytes) / Additional Graphics
Top of Page 1991
[1]
Molecular Modeling of Saccharides, Part I.
Evolution of the Structural Representation of Sucrose.
F. W. Lichtenthaler, S. Immel, and U. Kreis, Starch/Stärke 1991, 43, 121-132.
F. W. Lichtenthaler, S. Immel, and U. Kreis, in: Carbohydrates as Organic Raw Materials (F. W. Lichtenthaler, Ed.), VCH, Weinheim/New York, 1991, pp. 1-32.
F. W. Lichtenthaler, S. Immel, and U. Kreis, Shokuhin Kogyo (The Food Industry; in Japanese) 1992, 35, 65-85.
Abstract / Full Text PDF (16620 KBytes) / Additional Graphics

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