NMR spectroscopic analysis in the assessment of stability of bakuchiol inclusion complexes with β-cyclodextrin

The deposited data concern the formation of a bakuchiol (BAK) inclusion complex with beta-cyclodextrin (beta-CD). Analyses indicate that complex formation is only possible after BAK deprotonation in an alkaline environment; in a neutral environment, BAK aggregation prevents molecules from entering the beta-CD. The data include 1H NMR and 2D NOESY spectra of the BAK-beta-CD complex in three environments: neutral, alkaline, and neutralized (the alkaline sample neutralized with HCl). Spectra of control samples, i.e. BAK alone and beta-CD alone in the three mentioned environments, are also available. Raw 1H NMR and 2D NOESY spectra are included in the folder: ‘raw 1H NMR and 2D NOESY spectra of BAK-beta-CD’ (.zip format)The format of the files contained therein is compatible with TopSpin 4.1.4. To make the spectra available to a wider audience, screenshots from the raw files have been placed in text format (.docx). Additionally, the peak values (peak chemical shift and intensity) are saved in a .csv file.