Fourier-Transform Infrared (FTIR) Attenuated Total Reflectance (ATR) Spectroscopy Profiles of Polyols

Pharmaceutically applicable polyols are represented by various chemical compounds, each with distinct molecular structures and functional group properties. These properties are crucial for understanding the material's behavior in formulations, processing, and its stability over time. Functional group analysis, molecular interactions, and the presence of polymorphs or specific phases are essential aspects in evaluating the physical and chemical characteristics of pharmaceutical materials. One of the most reliable and non-destructive techniques for characterizing functional groups, molecular interactions, and phase transitions is Fourier Transform Infrared Spectroscopy with Attenuated Total Reflectance (FTIR-ATR). FTIR-ATR offers a powerful method for identifying specific molecular bonds and functional groups, providing insight into the structural properties, polymorphic forms, and chemical stability of solid-state materials.
Thus, project-related samples of commercially available polyols were characterized with FTIR-ATR using a FTIR spectrometer (Nicolete IS20; Thermo Scientific, Karlsruhe, Germany). The representative individual FTIR-ATR profiles were organized in a dataset in the form of an Excel spreadsheet. To simplify the perception of data, on the separate Excel spreadsheet, FTIR-ATR profiles are visualized in graphical form (Absorbance vs. Wavenumber, cm-1).
Method. To investigate the spectral properties of polyols such as sucrose, dextrin, inulin, xylitol, sorbitol, isomalt, and mannitol, a FTIR-ATR study of the samples was performed on a FTIR spectrometer (Nicolete IS20; Thermo Scientific, Karlsruhe, Germany) using a diamond prism by scanning from 4000 to 400 cm−1, with 2.0 cm−1 resolution and 100 scans per spectrum (the background was taken before each sample). Every graphically represented FTIR-profile was obtained by averaging 3 spectra.
Data. The dataset in the form of an Excel spreadsheet was composed of the representative individual FTIR-ATR profiles (no manipulation; as it is) of specific polyol grades: Absorbance vs. Wavenumber, cm-1. To simplify the reusing of data, on the separate CSV spreadsheet all raw FTIR-ATR profiles were presented and the same profiles are presented as graph (Absorbance vs. Wavenumber, cm-1).