Abstract
Structural elucidation of complex carbohydrates in solution is not a trivial task. From the NMR view point, the limited chemical shift dispersion of sugar NMR spectra demands the combination of a variety of NMR techniques as well as the employment of molecular modeling methods. Herein, a general protocol for assignment of resonances and determination of inter-proton distances within the saccharides by homonuclear and heteronuclear experiments (i.e., 1H and 13C) is described. In addition, several computational tools and procedures for getting a final ensemble of geometries that represent the structure in solution are presented.
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Abbreviations
- C12E5:
-
n-dodecyl-penta(ethylene-glycol)
- C12E6:
-
n-dodecyl-hexa(ethylene-glycol)
- C8E5:
-
n-octyl-penta(ethylene glycol)
- CHAPSO:
-
3-(cholamidopropyl)-dimethylammonio-2-hydroxyl-1-propane sulfonate
- COSY:
-
COrrelation SpectroscopY
- DHPC:
-
1,2-di-hexanoyl-sn-glycero-3-phosphocholine
- DIODPC:
-
1,2-di-O-dodecyl-sn-glycero-3-phosphocholine
- DMPC:
-
1,2-di-tetradecanoyl-sn-glycero-3-phosphocholine
- DQF-COSY:
-
Double Quantum COrrelated SpectroscopY
- HMBC:
-
Heteronuclear Multiple Bond Correlation
- HMQC:
-
Heteronuclear Multiple Quantum Coherence
- HSQC:
-
Heteronuclear Single Quantum Coherence
- NMR:
-
Nuclear magnetic resonance
- NOESY:
-
Nuclear Overhauser Enhancement Spectroscopy
- ROESY:
-
Rotating frame NOE
- TOCSY:
-
Total Correlation SpectroscopY
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Acknowledgments
This work was supported by Ministry of Science and Innovation of Spain grant CTQ2012-32025.
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Díaz, D., Canales-Mayordomo, A., Cañada, F.J., Jiménez-Barbero, J. (2015). Solution Conformation of Carbohydrates: A View by Using NMR Assisted by Modeling. In: Lütteke, T., Frank, M. (eds) Glycoinformatics. Methods in Molecular Biology, vol 1273. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-2343-4_19
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