Extraction, Characterization, and Toxicological Assessment of Chemicals from Thermal Bill Paper: An In-Silico ADME and Daphnia pulex Study

Abstract

The current study provides a comprehensive analysis of the chemical composition of thermal bill paper, revealing the presence of hazardous chemical compounds such as Bisphenol S (BPS) and Diphenyl Sulfone (DPS). The extraction process using ethyl acetate as the solvent effectively isolated these compounds, as evidenced by Thin Layer Chromatography (TLC) results, which displayed distinct spots corresponding to the compounds of interest. Fourier Transform Infrared (FTIR) spectroscopy confirmed the presence of characteristic functional groups, while High-Resolution Mass Spectrometry (HR-MS) identified molecular weights consistent with BPS and DPS. In-silico analysis using the SwissADME web tool provided insights into the pharmacokinetic properties of these compounds, with bioavailability radar plots indicating optimal absorption ranges, except for a low degree of saturation. The BOILED-Egg model predicted that BPS is likely to be absorbed by the gastrointestinal tract, while DPS may cross the blood-brain barrier, raising potential concerns about its impact on the central nervous system. Toxicity studies conducted with Daphnia pulex showed significant toxicity at higher concentrations, supporting the idea that the presence of BPS and DPS in thermal bill paper poses a risk to human health and the environment. These findings underscore the need for increased regulation and the exploration of safer alternatives.