Table 1.
Complexation-induced chemical shift (CIS) data of the host (βCD and 18:1βCDg) and its complexes with Melphalan. The CIS values (in brackets) were calculated as ∆δ = δcomplex − δfree, where negative and positive values represent shielding (upfield) and deshielding (downfield) effects, respectively. * Chemical shift values are difficult to decipher.
| Host:Guest | Ratio | 1H Nuclei | |||||
|---|---|---|---|---|---|---|---|
| H1 | H2 | H3 | H4 | H5 | H6 | ||
| βCD | -- | 4.98 | 3.56 | 3.87 | 3.49 | 3.77 | 3.76 |
| βCD:Mel | 2:1 | 4.97 (−0.01) |
3.57 (0.01) |
3.85 (−0.02) |
3.48 (−0.01) |
3.70 (−0.07) |
3.78 * (0.02) |
| 18:1βCDg | -- | 5.02 (0.04) |
* | 3.84 (−0.03) |
3.59 * (0.10) |
3.69 (−0.08) |
3.83 (0.07) |
| 18:1βCDg:Mel | 1:1 | 4.97 (−0.01) |
3.57 (0.01) |
3.80 (−0.07) |
3.50 (0.01) |
3.61 (−0.16) |
3.77 (0.01) |
| 18:1βCDg:Mel | 2:1 | 4.98 (0.00) |
3.57 (0.01) |
3.81 (−0.06) |
3.52 (0.03) |
3.62 (−0.15) |
3.79 (0.03) |
| 18:1βCDg:Mel | 3:1 | 4.99 (0.01) |
3.57 (0.01) |
3.81 (−0.06) |
3.52 (0.03) |
3.63 (−0.14) |
3.79 (0.03) |
| 18:1βCDg:Mel | 5:1 | 5.01 (0.03) |
3.60 * (0.04) |
3.83 (−0.04) |
3.55 * (0.06) |
3.67 (−0.10) |
3.82 (0.06) |