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This study investigates the characterization and performance of self-cleaning TiO2 surfaces synthesized through a one-step preparation process, followed by enhancement via plasma treatment. The process involved coating aluminum foil with an acrylic paint mixture containing nanoparticles of different mass compositions and subsequent plasma treatment using a continuous plasma arc. Scanning electron microscopy revealed the morphology of the treated surfaces, showing an increase in surface area of plasma-treated materials. Energy-dispersive X-ray spectroscopy revealed changes in oxygen and titanium in acrylic paint/TiO2 surfaces as the TiO2 content increased, indicating successful TiO2 incorporation. Raman spectroscopy showed that the bulk structure of self-cleaning acrylic paints is mainly preserved after plasma treatment. Alternating current impedance spectroscopy assessed that plasma treatment reduced agglomeration and increased active sites, especially for the acrylic paint/TiO2 surfaces with 0.5 mg/cm3 TiO2. The contact angle measurements indicated that plasma treatment enhanced the superhydrophobic characteristics and potential self-cleaning abilities of produced acrylic paint/TiO2 surfaces. The efficacy of these plasma-treated surfaces in self-cleaning was evaluated by testing their performance against puddle sediment and automotive oil samples. The study demonstrated that plasma treatment positively impacted the self-cleaning ability of the acrylic paint/TiO2 surfaces, particularly those with 0.5 mg/cm3 TiO2. This enhancement was attributed to the formation of functional groups, improved water repellency, and possible increases in surface area, which collectively contribute to the sustainable self-cleaning properties of the treated surfaces. [ABSTRACT FROM AUTHOR]

In this study, Cu-doped TiO2 combined with natural zeolite (ZT) was synthesized and applied as a fixed powder layer on poly(methyl methacrylate) (PMMA) tablets. The material's morphology, structural, and chemical properties were characterized using high-resolution scanning electron microscopy, Raman spectroscopy, and Brunauer–Emmett–Teller analysis. The antioxidant capacity was evaluated by assessing the neutralization of hydroxyl radicals and iron (III) ions. For the first time, tablets with Cu-TiO2 and ZT deposited on PMMA as the carrier were investigated for removing two dyes, methyl orange (MO) and methylene blue (MB), from water under simulated solar (SS) and UVC irradiation. Under SS irradiation, the Cu-TiO2/PMMA and Cu-TiO2/ZT/PMMA tablets achieved about 21% degradation of MB after 240 min. This result is particularly noteworthy because SS radiation provides lower energy compared with UVC, making the process more economically efficient. Furthermore, the photocatalysts are immobilized on a stable carrier, which enhances the method's cost-effectiveness by reducing material loss and simplifying recovery. In the presence of ZT/PMMA tablets, 69% of MB was removed by adsorption after 240 min. Additionally, we explored the mechanism of degradation, revealing that the enhanced generation of hydroxyl radicals plays a pivotal role in the effective degradation of MB. At the same time, photogenerated holes contribute to the removal of MO. The overall results suggest that the tablets obtained are a promising solution for water purification due to their effectiveness, simplicity, and low processing cost. [ABSTRACT FROM AUTHOR]

Sunscreen molecules play a critical role in protecting skin from ultraviolet radiation, yet their efficient detection and separation pose challenges in environmental and analytical contexts. In this work, we employ a multilevel modeling approach to investigate the molecular interactions between representative sunscreen molecules and the polydimethylsiloxane (PDMS) polymer, a material widely recognized for its sorbent properties. Our goal is to explore how these interactions can be fine-tuned to facilitate the effective separation of sunscreen molecules in portable membrane inlet mass spectrometry (MIMS) systems, potentially leading to the development of new membrane materials. Using a combination of advanced computational techniques—force field molecular dynamics simulations, semiempirical GFN2-xTB, and density functional theory calculations—we assess the interaction strength and noncovalent interactions of sunscreen molecules, namely oxybenzone, naphthalene, benzo[a]anthracene, avobenzone, and 1,3,5-trichlorobenzene, with PDMS. Additionally, the effect of temperature on the interaction dynamics is evaluated, with the aim of extending the sorbent capacities of PDMS beyond light polar molecules to larger, polar sunscreen compounds. This study provides critical insights into the molecular-level interactions that may guide the design of novel membrane materials for efficient molecular separation. [ABSTRACT FROM AUTHOR]

In this study, we developed TiO2-coated aluminum (TiO2/Al) surfaces using eco-friendly methods to create efficient and environmentally friendly photoactive materials with the potential to enhance water purification systems. TiO2 particles were deposited onto aluminum foil surfaces via a spray method, followed by heat treatment at 200 °C for 15 min. The morphology of the TiO2/Al surfaces, both before and after photocatalytic treatment, was characterized using scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS). The photocatalytic properties of these modified surfaces were evaluated through the degradation of rhodamine B (RB), methylene blue (MB), and methyl orange (MO) under simulated solar and UV–LED irradiation. Among the dyes tested, MO exhibited the highest degradation, influenced by factors such as absorption maximum, molecular structure, charge, and the number of condensed rings. The computational study of interactions between dye molecules and the combined nanoparticle revealed that the binding was the strongest in the case of MO dye. This study also explored the influence of varying the number of TiO2/Al surfaces in solution (one, five, and ten) on the photodegradation efficiency. The solution with five TiO2/Al surfaces demonstrated optimal performance, achieving a 16% degradation of RB. The reusability of the TiO2/Al surfaces was confirmed through five successive runs of RB degradation. The results indicate that TiO2/Al surfaces are a promising solution for addressing water contamination challenges and advancing sustainable water treatment practices. [ABSTRACT FROM AUTHOR]

Bee alarm pheromones are essential molecules that are present in beehives when some threats occur in the bee population. In this work, we have applied multilevel modeling techniques to understand molecular interactions between representative bee alarm pheromones and polymers such as polymethyl siloxane (PDMS), polyethylene glycol (PEG), and their blend. This study aimed to check how these interactions can be manipulated to enable efficient separation of bee alarm pheromones in portable membrane inlet mass spectrometric (MIMS) systems using new membranes. The study involved the application of powerful computational atomistic methods based on a combination of modern semiempirical (GFN2-xTB), first principles (DFT), and force-field calculations. As a fundamental work material for the separation of molecules, we considered the PDMS polymer, a well-known sorbent material known to be applicable for light polar molecules. To improve its applicability as a sorbent material for heavier polar molecules, we considered two main factors—temperature and the addition of PEG polymer. Additional insights into molecular interactions were obtained by studying intrinsic reactive properties and noncovalent interactions between bee alarm pheromones and PDMS and PEG polymer chains. [ABSTRACT FROM AUTHOR]