https://www.selleckchem.com/products/pq912.html In this paper, we provide a straightforward method to predict the terahertz absorption spectrum based on a fixed charge model with classic molecular dynamics calculations. The absorption features in the frequency range between 1 and 3.4 THz of stearic acid B-form and between 1 and 2.7 THz of C-form were successfully calculated. Most of the absorption peaks from the simulation correspond well with those from the measurements. By calculating the spatial and time-dependent energy accumulation in the molecular system, the core idea of our calculation method is further validated. Compared with the ab initio calculations, our method provides a computationally inexpensive way to accurately predict the locations of absorption features. With regard to the traditional molecular dynamic simulations, our method is able to extract the spatial distribution of the energy accumulation as well as the local motions in the molecular system. V.In this in vitro study, the effect of the application of tooth bleaching products in human enamel was evaluated using polarized Raman microscopy, particle induced gamma-ray emission (PIGE) and Vickers Hardness test. Due to their acidic nature, teeth whitening products are associated with changes in enamel mineralization. Consequently, products have appeared in the market that promote the incorporation of fluorine in order to decrease the solubility of the hydroxyapatite in enamel and prevent demineralization. This way, four commercial products with different active principle concentrations 16% carbamide peroxide (Opalescence PF® and VivaStyle®) or 6% hydrogen peroxide (Opalescence Go PF® and VivaStyle Paint On®) and presence or not of fluorine were compared. The information on the crystalline state of the enamel was provided by the determination of the depolarization ratio of the symmetric stretching band of phosphate (at 959 cm-1). Furthermore, the content and uptake of F was evaluated using PIGE i