Density functional theory (DFT) methods were used to investigate the conformational dependence of transannular H-H coupling constants in half-cage alcohols and cage diols. Finite perturbation theory (FPT) was used to obtain the Fermi contact (FC) contributions to scalar coupling constants in three h
✦ LIBER ✦
Conformational restriction by intramolecular hydrogen bonding. Carbohydrate-carbohydrate self-assembly
✍ Scribed by Manuela López de la Paz; Gary Ellis; Soledad Penadés; Cristina Vicent
- Book ID
- 104256529
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- French
- Weight
- 267 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0040-4039
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✦ Synopsis
NMR data (chemical shifts, NOEs, coupling constants and variable temperature experiments), FT-IR data and MM2 ° molecular mechanics calculations have allowed us to demonstrate that 3-amido-l,6-anhydro-3-deoxy-[~-D-glucopyranose acts as a hydroxyl-based interaction unit and provides conformational control of self-recognition processes by intramolecular hydrogen bonding.
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Michael Barfield; Jon M. Bergset; Daniel J. O'Leary
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2001
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John Wiley and Sons
🌐
English
⚖ 426 KB