Powder X-ray Diffraction (pXRD) Profiles of Polyols

Pharmaceutically applicable polyols are represented with different chemical compounds, with different structures and solid-state properties. Solid-state properties, such as crystallinity and amorphicity, are very important characteristics for the formulation, processing, and physical/chemical stability of compounded samples or products. One of the most reliable and non-destructive ways for the characterization of solid-state (crystallinity and amorphicity) is powder X-ray diffraction (pXRD).
Thus, project-related samples of commercially available polyols (such as sucrose, dextrin, inulin, xylitol, sorbitol, isomalt, mannitol, oligofructose, and polyethylene glycol) were characterized with pXRD using a contemporary diffractometer. The representative individual pXRD profiles were organized in a dataset.
Method. To investigate the crystallinity of polyols, the study of commercially available grades was conducted with diffractometer (RigakuTM Miniflex 600 C; Rigaku Co., Tokyo, Japan) in θ/2θ geometry at ambient temperature with CuKα X-radiation (λ = 1.54182 Å) at 40 kV and 15 mA power was used. X-ray diffraction patterns were collected over the 2θ range of 3–60◦ at a 5◦/min scan rate. The low-background silicone sample holder was used if required.
Data. The data in the form of an CSV spreadsheet was composed of the representative individual pXRD profiles (no manipulation; as it is) of specific polyol grades: intensity (counts per second; cps) vs. 2θ degree (file name: pXRD_data.csv). To simplify the reusing of data, pXRD profiles were presented in a graphical format (intensity vs. 2θ degree; file name: Figure.jpg), and the table of characteristic picks (if applicable) for each sample was composed/presented too (file name: Characteristic_peaks.csv).