Association of aescin with β- and γ-cyclodextrins studied by DFT calculations and spectroscopic methods

Ana I. Ramos, Pedro D. Vaz, Susana S. Braga and Artur M. S. Silva

Beilstein J. Nanotechnol. 2017, 8, 348–357. doi:10.3762/bjnano.8.37

Supporting Information

The details on the host–guest association constant (Kapp) estimation by the graphical method of Seal et al. [28] are demonstrated, with one example for each cyclodextrin, in Supporting Information File 1, as well as the plot of the H3 shifts of γ-CD according to the Job method.

The selected region of the ROESY spectrum of γ-CD·aescin is shown in Supporting Information File 2.

The γ-CD·aescin complex formation in the solid state was also investigated and characterised by FTIR spectroscopy. Results are presented in Supporting Information File 3.

The foam disrupting capacity of the encapsulated aescin is presented in Supporting Information File 4.

Supporting Information File 1: Supplement to 1H NMR studies in solution.
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Supporting Information File 2: ROESY spectrum of γ-CD·aescin.
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Supporting Information File 3: FTIR studies of the solid γ-CD·aescin inclusion compound.
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Supporting Information File 4: Studies on the influence of encapsulation on the foam-forming properties of aescin.
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Presentation Graphic

Picture with graphical abstract, title and authors for social media postings and presentations.

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