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The presence of chlorophenols in water poses a significant threat to human health and the environment. In response to this issue, a study was undertaken to evaluate the catalytic capabilities of chlorinated Heme towards common chlorophenols present in water, such as 2,4-dichlorophenol, 2,4,6-trichlorophenol, and pentachlorophenol. The study employed the B3LYP method, a sophisticated computational technique within density functional theory, to investigate the molecular interactions and transformations involved. It scrutinized structural parameters, Wiberg Bond Indices, which offer insights into the strength and nature of chemical bonds, along with spectroscopic data including infrared vibrational spectra, ultraviolet-visible absorption spectra, and molecular fluorescence spectra. Furthermore, the research analyzed molecular binding energies and orbital energy levels before and after the formation of complexes between Heme and the targeted chlorophenols. The findings indicate that Heme displays a notable activation characteristic towards these chlorophenols. This suggests that Heme could act as an effective catalyst in the degradation of chlorophenols in water, presenting a novel approach to water purification. The theoretical insights derived from this study are invaluable, potentially guiding the development of more efficient catalytic systems for treating chlorophenol-contaminated water, thereby reducing the environmental and health risks associated with these hazardous compounds., (© 2024. The Author(s).)

A simple method for purifying water using household items has been developed. The solution containing an environmental pollutant was added to the PET bottle. The lid of the PET bottle was closed, and the bottle was then placed with the lid down in a freezer for 9 h. The pourer of the PET bottle was surrounded by shredded paper scraps as a lagging material. Before the solution was completely frozen, the sample was removed from the freezer. The unfrozen portion (liquid) was sampled. The pollutant was concentrated in the liquid. The remaining frozen portion was completely thawed. As results, the concentration of the pollutant (Congo Red, Cr (VI), Pb (II), pentachlorophenol, fluoride, nitrate, or phosphate) in the thawed liquid was decreased by more than 90% compared with the initial concentration (0.10 mM). PRACTITIONER POINTS: A pollutant in a water sample can be removed by freezing a portion of the solution using a PET bottle, shredder scrap, and household freezer. Fluorine and hexavalent chromium can be removed from water to levels that meet water quality standards. The present method can efficiently remove a wide range of contaminants from water, including azo dyes, heavy metals, and pentachlorophenol., (© 2024 Water Environment Federation.)