Abstract
| Language | English |
|---|---|
| Pages | 405-412 |
| Number of pages | 8 |
| Journal | Magnetic Resonance in Chemistry |
| Volume | 49 |
| Issue number | 7 |
| DOIs | |
| Publication status | Published - Jul 2011 |
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Keywords
- NMR
- 1H NMR
- 13C NMR
- cyclodextrin
- hydroxymethoxyacetophenones
- stability constants
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Precision studies in supramolecular chemistry : a 1H NMR study of hydroxymethoxyacetophenone/β-cyclodextrin complexes. / Fielding, Lee; McKellar, Scott C; Florence, Alastair J.
In: Magnetic Resonance in Chemistry , Vol. 49, No. 7, 07.2011, p. 405-412.Research output: Contribution to journal › Article
TY - JOUR
T1 - Precision studies in supramolecular chemistry
T2 - Magnetic Resonance in Chemistry
AU - Fielding, Lee
AU - McKellar, Scott C
AU - Florence, Alastair J
N1 - Copyright © 2011 John Wiley & Sons, Ltd.
PY - 2011/7
Y1 - 2011/7
N2 - The association constants for the interactions of 2-hydroxy-4-methoxyacetophenone, 2-hydroxy-5-methoxyacetophenone, 2-hydroxy-6-methoxyacetophenone, 3-hydroxy-4-methoxyacetophenone and 4-hydroxy-3-methoxyacetophenone with β-cyclodextrin in water were measured by (1)H NMR and by isothermal titration calorimetry. Very good agreement was obtained between the different methods. The errors associated with the NMR method for measuring mM binding affinities were estimated to be 10-30%, and by isothermal titration calorimetry, 10-20%. Rotating frame nuclear Overhauser effect spectroscopy studies show that the solution phase host-guest complexes formed by β-cyclodextrin with these hydroxymethoxyacetophenone derivatives are not structurally well defined but that the hydroxymethoxyacetophenone derivatives are mostly associated with the narrow primary hydroxyl rim.
AB - The association constants for the interactions of 2-hydroxy-4-methoxyacetophenone, 2-hydroxy-5-methoxyacetophenone, 2-hydroxy-6-methoxyacetophenone, 3-hydroxy-4-methoxyacetophenone and 4-hydroxy-3-methoxyacetophenone with β-cyclodextrin in water were measured by (1)H NMR and by isothermal titration calorimetry. Very good agreement was obtained between the different methods. The errors associated with the NMR method for measuring mM binding affinities were estimated to be 10-30%, and by isothermal titration calorimetry, 10-20%. Rotating frame nuclear Overhauser effect spectroscopy studies show that the solution phase host-guest complexes formed by β-cyclodextrin with these hydroxymethoxyacetophenone derivatives are not structurally well defined but that the hydroxymethoxyacetophenone derivatives are mostly associated with the narrow primary hydroxyl rim.
KW - NMR
KW - 1H NMR
KW - 13C NMR
KW - cyclodextrin
KW - hydroxymethoxyacetophenones
KW - stability constants
UR - http://www.scopus.com/inward/record.url?scp=79959758027&partnerID=8YFLogxK
U2 - 10.1002/mrc.2762
DO - 10.1002/mrc.2762
M3 - Article
VL - 49
SP - 405
EP - 412
JO - Magnetic Resonance in Chemistry
JF - Magnetic Resonance in Chemistry
SN - 0749-1581
IS - 7
ER -