Main Help Predict NMR Chemical Shifts Component Analysis Determine Glycan Structure

Publications on CASPER

  • NMR chemical shift prediction and structural elucidation of linker containing oligo- and polysaccharides using the computer program CASPER
    K. M. Dorst and G. Widmalm
    Carbohydr. Res. 533 (2023) 108937 Doi: 10.1016/j.carres.2023.108937
  • Resolving the complexity in human milk oligosaccharides using pure shift NMR methods and CASPER
    M. J. Smith, E. L. Gates, G. Widmalm, R. W. Adams, G. A. Morris and M. Nilsson
    Org. Biomol. Chem. 21 (2023) 3984-3990 Doi: 10.1039/D3OB00421J
  • Complete 1H and 13C NMR chemical shift assignments of mono- to tetrasaccharides as basis for NMR chemical shift predictions of oligo- and polysaccharides using the computer program CASPER
    A. Furevi, A. Ruda, T. Angles d’Ortoli, H. Mobarak, J. Ståhle, C. Hamark, C. Fontana, O. Engström, P. Apostolica and G. Widmalm
    Carbohydr. Res. 513 (2022) 108528 Doi: 10.1016/j.carres.2022.108528
  • NMR chemical shift predictions and structural elucidation of oligo- and polysaccharides by the computer program CASPER
    J. Ståhle and G. Widmalm
    In NMR in Glycoscience and Glycotechnology, K. Kato and T. Peters, Eds., The Royal Society of Chemistry, London, UK, (2017) pp. 335-352 Doi: 10.1039/9781782623946-00335
  • Synthesis of the tetrasaccharide glycoside moiety of Solaradixine and rapid NMR-based structure verification using the program CASPER
    T. Angles d’Ortoli and G. Widmalm
    Tetrahedron 72 (2016) 912-927 Doi: 10.1016/j.tet.2015.12.042
  • NMR chemical shift prediction of glycans: application of the computer program CASPER in structural analysis
    M. Lundborg and G. Widmalm
    Methods Mol. Biol. 1273 (2015) 29-40 Doi: 10.1007/978-1-4939-2343-4_3
  • Structural studies of the exopolysaccharide from Lactobacillus plantarum C88 using NMR spectroscopy and the program CASPER
    C. Fontana, S. Li, Z. Yang and G. Widmalm
    Carbohydr. Res. 402 (2015) 87-94 Doi: 10.1016/j.carres.2014.09.003
  • Facile structural elucidation of glycans using NMR data and the program CASPER: application to the O-antigen polysaccharide of Escherichia coli O155
    C. Fontana, A. Weintraub and G. Widmalm
    ChemPlusChem 78 (2013) 1327-1329 Doi: 10.1002/cplu.201300273
  • Complete 1H and 13C NMR chemical shift assignments of mono- to tetrasaccharides as basis for NMR chemical shift predictions of oligosaccharides using the computer program CASPER
    J. Rönnols, R. Pendrill, C. Fontana, C. Hamark, T. Angles d’Ortoli, O. Engström, J. Ståhle, M. V. Zaccheus, E. Säwén, L. E. Hahn, S. Iqbal and G. Widmalm
    Carbohydr. Res. 380 (2013) 156-166
    Doi; 10.1016/j.carres.2013.06.026
  • Structure Analysis of Glycans by NMR Chemical Shift Prediction
    M. Lundborg and G. Widmalm
    Anal. Chem. 83 (2011) 1514-1517
    Doi: 10.1021/ac1032534.
  • Sequence determination of oligosaccharides and regular polysaccharides using NMR spectroscopy and a novel Web-based version of the computer program CASPER.
    P.-E. Jansson, R. Stenutz, G. Widmalm
    Carbohydr. Res. 341 (2006) 1003-1010 PubMed 16564037
  • Computer-assisted structural analysis of oligo- and polysaccharides: An extension of CASPER to multibranched structures
    R. Stenutz, P.-E. Jansson, G. Widmalm
    Carbohydr. Res. 306 (1998) 11-17 PubMed 9691437
  • The structure of the capsular polysaccharide from Klebsiella type 52, using the computerised approach CASPER and NMR spectroscopy
    R. Stenutz, B. Erbing, G. Widmalm, P.-E. Jansson, W. Nimmich
    Carbohydr. Res. 302 (1997) 79-84 PubMed 9249953
  • A 1H- and 13C NMR study of oligosaccharides from human milk - Application of the computer program CASPER
    K. Hermansson, P.-E. Jansson, L. Kenne, G. Widmalm, F. Lindh
    Carbohydr. Res. 235 (1992) 69-81 PubMed 1473113
  • CASPER - A computer program used for structural analysis of carbohydrates
    P.-E. Jansson, L. Kenne, G. Widmalm
    J. Chem. Inf. Comput. Sci. 31 (1991) 508-516 PubMed 1757506
  • Computer assisted structural analysis of oligosaccharides using CASPER
    P.-E. Jansson, L. Kenne, G. Widmalm
    Anal. Biochem. 199 (1991) 11-17 PubMed 1807153
  • Applications of the CASPER program - Comparison between experimental and simulated spectra and an enhancement procedure for the database
    P.-E. Jansson, L. Kenne, G. Widmalm
    Acta Chem. Scand. 45 (1991) 517-522
  • Structural studies of the Escherichia coli O1a O-polysaccharide, using the computer program CASPER
    H. Baumann, P.-E. Jansson, L. Kenne, G. Widmalm
    Carbohydr. Res. 211 (1991) 183-190 PubMed 1773429
  • Computer-assisted structural-analysis of polysaccharides with an extended version of CASPER using 1H-NMR and 13C-NMR data
    P.-E. Jansson, L. Kenne, G. Widmalm
    Carbohydr. Res. 188 (1989) 169-191 PubMed 2673508
  • Structure of the O-antigen polysaccharide from Escherichia coli O18ac - A revision using computer assisted structural analysis with the program CASPER
    P.-E. Jansson, L. Kenne, G. Widmalm
    Carbohydr. Res. 193 (1989) 322-325 PubMed 2482127
  • CASPER - A computerized approach to structure determination of polysaccharides using information from NMR-spectroscopy and simple chemical analyses
    P.-E. Jansson, L. Kenne, G. Widmalm
    Carbohydr. Res. 168 (1987) 67-77

Monosaccharide publications

The following articles are used for monosaccharide data in CASPER:
[1] Barton, D. H. R.; Géro, S. D.; Cléophax, J.; Machado, A. S.; Quiclet-Sire, B. J. Chem. Soc., Chem. Commun. 1988, 1184. [ DOI | http ]
[2] Baumann, H.; Tzianabos, A. O.; Brisson, J. R.; Kasper, D. L.; Jennings, H. J. Biochemistry 1992, 31, 4081-4089. [ http ]
[3] Brisson, J.; Crawford, E.; Uhrín, D.; Khieu, N. H.; Perry, M. B.; Severn, W. B.; Richards, J. C. Can. J. Chem. 2002, 80, 949-963. [ DOI | http ]
[4] Jansson, P.; Kenne, L.; Widmalm, G. Carbohydr. Res. 1989, 188, 169-191.
[5] Jansson, P.; Kenne, L.; Widmalm, G. Anal. Biochem. 1991, 199, 11-17.
[6] Jansson, P.; Kenne, L.; Widmalm, G.; Simoncsits, A.; M?nsted, O.; Weihe, H. Acta Chem. Scand. 1991, 45, 517-522. [ DOI | http ]
[7] Linnerborg, M.; Wollin, R.; Widmalm, G. Eur. J. Biochem. 1997, 246, 565-573. [ http ]
[8] Nifantiev, N. E.; Mamyan, S. S.; Shashkov, A. S.; Kochetkov, A. K. Russian Journal of Bioorganic Chemistry 1988, 14, 187-197.
[9] V., R.; L., L.; E., L.; G.P., E. Carbohydr. Res. 1997, 297, 289-295. [ DOI ]
[10] Roslund, M. U.; Säwén, E.; Landström, J.; Rönnols, J.; Jonsson, K. H. M.; Lundborg, M.; Svensson, M. V.; Widmalm, G. Carbohydr. Res., In Press, Accepted Manuscript. [ DOI | http ]
[11] Tsvetkov, Y. E.; Shashkov, A. S.; Knirel, Y. A.; Zähringer, U. Carbohydr. Res. 2001, 335, 221-243. [ DOI | http ]
[12] Zhu, Y.; Pan, Q.; Thibaudeau, C.; Zhao, S.; Carmichael, I.; Serianni, A. S. J. Org. Chem. 2006, 71, 466-479. [ DOI | http ]

This file was generated by bibtex2html 1.94.

Disaccharide publications

The following articles are used for disaccharide data in CASPER:
[1] Andersson, M.; Kenne, L.; Stenutz, R.; Widmalm, G. Carbohydr. Res. 1994, 254, 35-41. [ DOI | http ]
[2] L., A.; L., K. Carbohydr. Res. 1998, 313, 157-164. [ DOI ]
[3] Backman, I.; Erbing, B.; Jansson, P.; Kenne, L. J. Chem. Soc., Perkin Trans. 1 1988, 889-898. [ DOI | http ]
[4] Backman, I.; Jansson, P.; Kenne, L. J. Chem. Soc., Perkin Trans. 1 1990, 1383. [ DOI | http ]
[5] Baumann, H.; Jansson, P.; Kenne, L. J. Chem. Soc., Perkin Trans. 1 1988, 209-217. [ DOI | http ]
[6] Baumann, H.; Jansson, P.; Kenne, L. J. Chem. Soc., Perkin Trans. 1 1991, 2229-2233. [ DOI | http ]
[7] Bernlind, C.; Oscarson, S.; Widmalm, G. Carbohydr. Res. 1994, 263, 173-180. [ DOI | http ]
[8] Bock, K.; Duus, J. O.; Hindsgaul, O.; Lindh, I. Carbohydr. Res. 1992, 228, 1-20. [ http ]
[9] Bock, K.; Pedersen, C.; Pedersen, H.; Tipson, R. S.; Horton, D. Adv. Carbohyd. Chem. Biochem. 1984, 42, 193-225. [ http ]
[10] Bouwstra, J. B.; Kerékgyártó, J.; Kamerling, J. P.; Vliegenthart, J. F. Carbohydr. Res. 1989, 186, 39-49. [ http ]
[11] Boyd, J.; Porteous, R.; Soffe, N.; Delepierre, M. Carbohydr. Res. 1985, 139, 35-46. [ DOI | http ]
[12] Breg, J.; Romijn, D.; van Halbeek, H.; Vliegenthart, J. F. G.; Visser, R. A.; Haasnoot, C. A. G. Carbohydr. Res. 1988, 174, 23-36. [ DOI | http ]
[13] Capek, P. Carbohydr. Res. 2008, 343, 1390-1393. [ DOI | http ]
[14] Di?az, A.; Fontana, E. C.; Todeschini, A. R.; Soule?, S.; Gonza?lez, H.; Casaravilla, C.; Portela, M.; Mohana-Borges, R.; Mendonc?a-Previato, L.; Previato, J. O.; Ferreira, F. Biochemistry 2009, 48, 11678-11691. [ DOI | http ]
[15] Duus, J. .; Nifant'ev, N. E.; Shashkov, A. S.; Khatuntseva, E. A.; Bock, K. Isr. J. Chem. 2000, 40, 223-239. [ DOI | http ]
[16] Duus, J. O.; Nifant'ev, N.; Shashkov, A. S.; Khatuntseva, E. A.; Bock, K. Carbohydr. Res. 1996, 288, 25-44. [ http ]
[17] Engskog, M. K.; Yildirim, H. H.; Li, J.; Richards, J. C.; Deadman, M.; Hood, D. W.; Schweda, E. K. Carbohydr. Res. 2009, 344, 632-641. [ DOI | http ]
[18] Euzen, R.; Ferrières, V.; Plusquellec, D. Carbohydr. Res. 2006, 341, 2759-2768. [ DOI | http ]
[19] Grönberg, G.; Lipniunas, P.; Lundgren, T.; Lindh, F.; Nilsson, B. Arch. Biochem. Biophys. 1990, 278, 297-311. [ http ]
[20] Grönberg, G.; Nilsson, U.; Bock, K.; Magnusson, G. Carbohydr. Res. 1994, 257, 35-54. [ DOI | http ]
[21] Helander, A.; Kenne, L.; Oscarson, S.; Peters, T.; Brisson, J. Carbohydr. Res. 1992, 230, 298-318. [ DOI | http ]
[22] Hermansson, K.; Jansson, P. E.; Kenne, L.; Widmalm, G.; Lindh, F. Carbohydr. Res. 1992, 235, 69-81.
[23] Hinz, S. W. A.; Verhoef, R.; Schols, H. A.; Vincken, J.; Voragen, A. G. J. Carbohydr. Res. 2005, 340, 2135-2143. [ DOI | http ]
[24] Jansson, P.; Kenne, L.; Widmalm, G. Carbohydr. Res. 1989, 188, 169-191.
[25] Jansson, P.; Kenne, L.; Kolare, I. Carbohydr. Res. 1994, 257, 163-174. [ DOI | http ]
[26] Jansson, P.; Kenne, L.; Ottosson, H. J. Chem. Soc., Perkin Trans. 1 1990, 2011-2018. [ DOI | http ]
[27] Jansson, P.; Kenne, L.; Persson, K.; Widmalm, G. J. Chem. Soc., Perkin Trans. 1 1990, 591-598. [ DOI | http ]
[28] Jansson, P.; Kenne, L.; Schweda, E. J. Chem. Soc., Perkin Trans. 1 1987, 377-383. [ DOI | http ]
[29] Jansson, P.; Kenne, L.; Schweda, E. J. Chem. Soc., Perkin Trans. 1 1988, 2729-2736. [ DOI | http ]
[30] Jansson, P.; Kenne, L.; Widmalm, G. Carbohydr. Res. 1989, 188, 169-191. [ DOI | http ]
[31] Jansson, P.; Kenne, L.; Widmalm, G.; Simoncsits, A.; M?nsted, O.; Weihe, H. Acta Chem. Scand. 1991, 45, 517-522. [ DOI | http ]
[32] Jansson, P.; Kjellberg, A.; Rundlöf, T.; Widmalm, G. J. Chem. Soc., Perkin Trans. 2 1996, 33-37. [ DOI | http ]
[33] Jansson, P.; Widmalm, G. J. Chem. Soc., Perkin Trans. 2 1992, 1085-1090. [ DOI | http ]
[34] Jaseja, M.; Perlin, A. S.; Dubinsky, O.; Christiaen, D.; Arad, S. M.; Glaser, R. Carbohydr. Res. 1989, 186, 313-319. [ DOI | http ]
[35] Lee, H. H.; Congson, L. N.; Whitfield, D. M.; Radics, L. R.; Krepinsky, J. J. Can. J. Chem. 1992, 70, 2607-2617. [ DOI | http ]
[36] Lipkind, G. M.; Shashkov, A. S.; Nechaev, O. A.; Torgov, V. I.; Shibaev, V. N.; Kochetkov, N. K. Bioorg. Khim. 1989, 15, 1366-1374.
[37] Lipkind, G. M.; Nifant'ev, N. E.; Shashkov, A. S.; Kochetkov, N. K. Can. J. Chem. 1990, 68, 1238-1250. [ DOI | http ]
[38] Lycknert, K.; Edblad, M.; Imberty, A.; Widmalm, G. Biochemistry 2004, 43, 9647-9654. [ DOI | http ]
[39] I.D., M.; J., R.; R.O., G.; J., P.; C., J.; M., W.; A., P.; T., R.; P., K. Carbohydr. Res. 2002, 337, 161-166. [ DOI ]
[40] Nifant'ev, N. E.; Shashkov, A. S.; Lipkind, G. M.; Kochetkov, N. K. Carbohydr. Res. 1992, 237, 95-113. [ DOI | http ]
[41] Nifantiev, N. E.; Mamyan, S. S.; Shashkov, A. S.; Kochetkov, A. K. Russian Journal of Bioorganic Chemistry 1988, 14, 187-197.
[42] O'Connor, J. V.; Nunez, H. A.; Barker, R. Biochemistry 1979, 18, 500-507. [ http ]
[43] Poláková, M.; Roslund, M. U.; Ekholm, F. S.; Saloranta, T.; Leino, R. Eur. J. Org. Chem., 870-888.
[44] Probert, M. A.; Zhang, J.; Bundle, D. R. Carbohydr. Res. 1996, 296, 149-170. [ DOI | http ]
[45] V., R.; L., L.; E., L.; G.P., E. Carbohydr. Res. 1997, 297, 289-295. [ DOI ]
[46] Rashid, A.; Mackie, W.; Colquhoun, I. J.; Lamba, D. Can. J. Chem. 1990, 68, 1122-1127. [ DOI | http ]
[47] Roslund, M. U.; Säwén, E.; Landström, J.; Rönnols, J.; Jonsson, K. H. M.; Lundborg, M.; Svensson, M. V.; Widmalm, G. Carbohydr. Res., In Press, Accepted Manuscript. [ DOI | http ]
[48] Rundlöf, T.; Widmalm, G. Anal. Biochem. 1996, 243, 228-233. [ DOI | http ]
[49] Sabesan, S.; Bock, K.; Paulson, J. C. Carbohydr. Res. 1991, 218, 27-54. [ http ]
[50] Severn, W. B.; Richards, J. C. J. Am. Chem. Soc. 1993, 115, 1114-1120. [ DOI | http ]
[51] Strecker, G.; Wieruszeski, J. M.; Martel, C.; Montreuil, J. Carbohydr. Res. 1989, 185, 1-13. [ http ]
[52] Suárez, E. R.; Kralovec, J. A.; Grindley, T. B. Carbohydr. Res. 2010, 345, 1190-1204. [ DOI | http ]
[53] Thompson, J.; Robrish, S. A.; Pikis, A.; Brust, A.; Lichtenthaler, F. W. Carbohydr. Res. 2001, 331, 149-161. [ DOI | http ]
[54] Tinnert, A.; Mansson, M.; Yildirim, H. H.; Hood, D. W.; Schweda, E. K. Carbohydr. Res. 2005, 340, 1900-1907. [ DOI | http ]
[55] Zerbetto, M.; Polimeno, A.; Kotsyubynskyy, D.; Ghalebani, L.; Kowalewski, J.; Meirovitch, E.; Olsson, U.; Widmalm, G. J. Chem. Phys. 2009, 131, 234501. [ DOI | http ]
[56] Zhao, Y.; Thorson, J. S. Carbohydr. Res. 1999, 319, 184-191. [ DOI | http ]

This file was generated by bibtex2html 1.94.

Trisaccharide publications

The following articles are used for trisaccharide data in CASPER:
[1] Adeyeye, A.; Jansson, P.; Kenne, L.; Widmalm, G. J. Chem. Soc., Perkin Trans. 2 1991, 963-973. [ DOI | http ]
[2] Baumann, H.; Erbing, B.; Jansson, P.; Kenne, L. J. Chem. Soc., Perkin Trans. 1 1989, 2167-2178. [ DOI | http ]
[3] Baumann, H.; Erbing, B.; Jansson, P.; Kenne, L. J. Chem. Soc., Perkin Trans. 1 1989, 2153-2165. [ DOI | http ]
[4] Bock, K.; Meldal, M.; Bundle, D. R.; Iversen, T.; Pinto, B. M.; Garegg, P. J.; Kvanström, I.; Norberg, T.; Lindberg, A. A.; Svenson, S. B. Carbohydr. Res. 1984, 130, 35-53. [ DOI | http ]
[5] Duus, J. .; Nifant'ev, N. E.; Shashkov, A. S.; Khatuntseva, E. A.; Bock, K. Isr. J. Chem. 2000, 40, 223-239. [ DOI | http ]
[6] Duus, J. O.; Nifant'ev, N.; Shashkov, A. S.; Khatuntseva, E. A.; Bock, K. Carbohydr. Res. 1996, 288, 25-44. [ http ]
[7] Hermansson, K.; Jansson, P. E.; Kenne, L.; Widmalm, G.; Lindh, F. Carbohydr. Res. 1992, 235, 69-81.
[8] Jansson, P.; Kjellberg, A.; Rundlöf, T.; Widmalm, G. J. Chem. Soc., Perkin Trans. 2 1996, 33-37. [ DOI | http ]
[9] Khatuntseva, E. A.; Ustuzhanina, N. E.; Zatonskii, G. V.; Shashkov, A. S.; Usov, A. I.; Nifant'ev, N. E. J. Carbohydrate Chemistry 2000, 19, 1151-1173. [ DOI ]
[10] Kochetkov, N. K.; Lipkind, G. M.; Shashkov, A. S.; Nifant'ev, N. E. Carbohydr. Res. 1991, 221, 145-168. [ DOI | http ]
[11] Lichtenthaler, F. W.; Schneider-Adams, T.; Immel, S. J. Org. Chem. 1994, 59, 6735-6738. [ DOI | http ]
[12] Lipkind, G. M.; Nifant'ev, N. E.; Shashkov, A. S.; Kochetkov, N. K. Can. J. Chem. 1990, 68, 1238-1250. [ DOI | http ]
[13] Nifant'ev, N. E.; Shashkov, A. S.; Lipkind, G. M.; Kochetkov, N. K. Carbohydr. Res. 1992, 237, 95-113. [ DOI | http ]
[14] Poláková, M.; Roslund, M. U.; Ekholm, F. S.; Saloranta, T.; Leino, R. Eur. J. Org. Chem., 870-888.
[15] Roslund, M. U.; Säwén, E.; Landström, J.; Rönnols, J.; Jonsson, K. H. M.; Lundborg, M.; Svensson, M. V.; Widmalm, G. Carbohydr. Res., In Press, Accepted Manuscript. [ DOI | http ]
[16] Söderman, P.; Jansson, P.; Widmalm, G. J. Chem. Soc., Perkin Trans. 2 1998, 639-648. [ DOI | http ]
[17] Thompson, J.; Robrish, S. A.; Pikis, A.; Brust, A.; Lichtenthaler, F. W. Carbohydr. Res. 2001, 331, 149-161. [ DOI | http ]

This file was generated by bibtex2html 1.94.