Search Results (268)

The reliability of passive samplers in measuring volatile organic compounds (VOCs) in indoor air depends on whether the uptake rate is constant given the environmental conditions and sampler exposure duration. The first phase of this study evaluated the performance of charcoal-based, solvent-extracted passive samplers (e.g., Radiello^® 130 passive samplers with white diffusive bodies) over exposure periods ranging from 1 week to 1 year in a test house with known vapor intrusion (VI). Chloroform %Bias values exceeded the ±30% acceptance criterion after 4 weeks exposure. Benzene, hexane, and trichloroethylene (TCE) concentrations were within the acceptance criterion for up to three months. Toluene and tetrachloroethylene (PCE), the two least volatile compounds, demonstrated uniform uptake rates over one year. In the second phase of this study, testing of the longer exposure times of 6 months and 1 year were evaluated with three additional passive samplers: Waterloo Membrane Sampler^TM (WMS^TM), SKC 575 with secondary diffusive cover, and Radiello^® 130 passive samplers with yellow diffusive bodies. The SKC 575 and Radiello^® 130 passive samplers produced acceptable results (%Bias ≤ 30%) over the 6-month exposure period, while the WMS^TM sampler results favored petroleum hydrocarbon more than chlorinated solvent uptake. After the 1-year exposure period, the passive sampler performances were acceptable under specific conditions of this study. The results suggest that all three samplers can produce acceptable results over exposure time periods beyond 30 days and up to a year for some compounds. Full article

Through the application of advanced membrane modification strategies, high-performance membranes have been developed to effectively remove organic contaminants such as toluene and xylene from wastewater. These membranes demonstrate superior antifouling resistance and long-term operational stability, offering a competitive advantage for semiconductor wastewater treatment. This study introduces a novel approach to membrane fabrication using polyvinylidene fluoride (PVDF), recognized for its cost-effectiveness and distinct antifouling properties in contaminant removal. To enhance the performance of the membrane, the solvent (DMA, DMF, NMP) that dissolves PVDF and the immersion time (30 min, 60 min, 90 min) at which phase separation occurs were identified. Additionally, the membranes were treated with polyvinyl alcohol (PVA) through multiple dip coatings to enhance their hydrophilicity before a comparative analysis was conducted. The resulting optimized membranes demonstrated high emulsion fluxes (4412 $\mathrm{L}{\mathrm{m}}^{-2}{\mathrm{h}}^{-1}{\mathrm{bar}}^{-1}$ for toluene) and achieved oil-removal efficiencies exceeding 90% when tested with various organic solvents, including toluene, cyclohexane, xylene, benzene, and chloroform. The resulting optimized membranes prove to be a reliable means of producing clean water and of efficiently separating organic contaminants from wastewater. Showcasing remarkable antifouling capabilities and suitability for repeated use without significant efficiency loss, this solution effectively addresses cost and fouling challenges, presenting it as a sustainable and efficient wastewater treatment method for the semiconductor industry. Full article

Atmospheric aqueous-phase reactions have been recognized as an important source of secondary organic aerosols (SOAs). However, the unclear reaction kinetics and mechanics hinder the in-depth understanding of the SOA sources and formation processes. This study selected ten different substituted phenolic compounds (termed as PhCs) emitted from biomass burning as precursors, to investigate the kinetics using OH oxidation reactions under simulated sunlight. The factors influencing reaction rates were examined, and the contribution of reactive oxygen species (ROS) was evaluated through quenching and kinetic analysis experiments. The results showed that the pseudo-first-order rate constants (k_obs) for the OH oxidation of phenolic compounds ranged from 1.03 × 10⁻⁴ to 7.85 × 10⁻⁴ s⁻¹ under simulated sunlight irradiation with an initial H₂O₂ concentration of 3 mM. Precursors with electron-donating groups (-OH, -OCH₃, -CH₃, etc.) exhibited higher electrophilic radical reactivity due to the enhanced electron density of the benzene ring, leading to higher reaction rates than those with electron-withdrawing groups (-NO₂, -CHO, -COOH). At pH 2, the second-order reaction rate (k_{PhCs, OH}) was lower than at pH 5. However, the k_obs did not show dependence on pH. The presence of O₂ facilitated substituted phenols’ photodecay. Inorganic salts and transition metal ions exhibited varying effects on reaction rates. Specifically, NO₃⁻ and Cu²⁺ promoted k_{PhCs, OH}, Cl⁻ significantly enhanced the reaction at pH 2, while SO₄²⁻ inhibited the reaction. The k_{PhCs, OH} were determined to be in the range of 10⁹~10¹⁰ L mol⁻¹ s⁻¹ via the bimolecular rate method, and a modest relationship with their oxidation potential was found. Additionally, multiple substituents can suppress the reactivity of phenolic compounds toward •OH based on Hammett plots. Quenching experiments revealed that •OH played a dominant role in phenolic compound degradation (exceeding 65%). Electron paramagnetic resonance confirmed the generation of singlet oxygen (¹O₂) in the system, and probe-based quantification further explored the concentrations of •OH and ¹O₂ in the system. Based on reaction rates and concentrations, the atmospheric aqueous-phase lifetimes of phenolic compounds were estimated, providing valuable insights for expanding atmospheric kinetic databases and understanding the chemical transformation and persistence of phenolic substances in the atmosphere. Full article

Porous nanocrystalline lanthanum perovskite La-Fe-O (LaFeO₃) powders were synthesized by the sol–gel self-combustion method, using polyvinyl alcohol as the colloidal medium. The perovskite structure of the material, without secondary phases, was obtained at a calcination temperature of 900 °C for 40 min. The obtained powder was tested for catalytic activity at moderate temperatures (50–550 °C) for ethanol, methanol, acetone, benzene, and Pb-free gasoline vapors. Catalytic combustion begins at quite low temperatures (60–200 °C), compared to normal combustion, and this can be attributed to the nanometric crystallites, the large specific surface area, and the presence of iron cations with different valences, Fe³⁺/Fe²⁺, resulting from the method we used to obtain the material. The degree of conversion reaches values of over 99% for acetone and ethanol vapors at a temperature of 270 °C and 310 °C, respectively, and over 97% for methanol vapors at a temperature of 330 °C. The degree of conversion for Pb-free gasoline and benzene reaches somewhat lower values, over 88% at much higher temperatures, 470 °C and 550 °C, respectively. The lanthanum perovskite catalyst, LaFeO₃, obtained by the presented preparation method, can be recommended for the combustion of acetone, ethanol, and methanol vapors. The performance of this catalyst is remarkable and can be compared to that of a catalyst containing noble metals in its composition. Full article

We report the design and biological evaluation of a nanoplatform featuring controllable aggregation-induced emission (AIE) behavior. The free rotation of benzene rings (4-(1,2,2-triphenylvinyl) benzaldehyde) largely suppresses fluorescence in the pure organic phase. However, water-induced molecular aggregation enhances the fluorescence signal. The delivery system follows the membrane–cytoplasm–nucleus route and it leads to apoptosis in two cancer cells (U937 cells and Hela cells). The AIE moiety accumulates in the cytoplasm, emitting a bright-blue signal, but the anticancer drug doxorubicin selectively targets the nucleus with unique red emission. The current noninvasive method with DOX-triggered apoptosis holds promise for tumor diagnosis and real-time imaging. Full article

Maghemite nanoparticles (NPs) were successfully developed using phenolic-rich extracts (cyanidin) from Citrus reticulata peel residues. The 11 nm maghemite NPs, obtained at 3% w/v and at 353 K, presented the optimal synthesis conditions. To improve dye adsorption performance, the synergetic adsorption behavior between these 11 nm NPs and multiwall carbon nanotubes was demonstrated. Prior to the adsorption tests, the aging effect on NPs was carefully assessed using various analytical techniques, which clearly showed the magnetite–maghemite phase transition. However, this had no impact on the cyanidin coating or adsorption properties. A remarkable percentage removal of (93 ± 3)% for methylene blue and (84 ± 3)% for methylene green was achieved in short equilibrium times of 10 and 25 min, respectively, with an optimum pH value of 5.5. Reuse experiments revealed that 90% removal for both dyes was achieved between the second to seventh regeneration cycles. Organic loading during these cycles was effectively confirmed by X-ray photoelectron spectroscopy and magnetic measurements. Dye adsorption involves a two-step mechanism: (i) electrostatic adsorption by the negative surface groups of the adsorbent (isoelectric point of 5.2) and the dye cationic groups and (ii) π–π stacking interactions between the aromatic benzene rings of the dyes, the hexagonal skeleton of the multiwall carbon nanotubes, and the phenolic ring groups of the biosynthesized sample. These results suggest that the low-cost modified phenolic adsorbent can be successfully applied to dye removal from water with promising recycling properties. Full article

Gas extraction from coal seams can significantly mitigate gas accidents and improve resource utilization. The effectiveness of borehole sealing directly determines the concentration and efficiency of gas drainage. In recent years, liquid-phase sealing materials, represented by non-solidifying pastes, gel-based materials, and inorganic retarders, have gradually become a research hotspot. Compared to the traditional solid sealing materials such as cement-based or organic polymers, liquid-phase sealing materials can effectively seal secondary fractures caused by mining vibration through grout replenishment. However, the influence of each component in liquid-phase non-solidified materials on sealing properties such as fluidity, water retention, and permeability remains unclear. To address these issues, a novel liquid-phase non-solidified hole sealing material was developed using bentonite as the base material, sodium dodecyl benzene sulfonate as the dispersant, and sodium carboxymethyl cellulose as the thickener. Initially, single-factor experiments were applied to investigate the effects of material ratios on the fluidity, water retention, and permeability. Subsequently, orthogonal experimental design and response surface methodology were used to establish nonlinear quadratic regression models relating these properties to water–bentonite ratio, dispersant content, and thickener content. The results indicated that an optimal water–bentonite ratio enhances both fluidity and permeability, while dispersants improve water retention and permeability and thickeners primarily boost water retention. Finally, the optimized composition was determined as a water–bentonite ratio of 4.41:1, a dispersant content of 0.38%, and a thickener content of 0.108%. We believe that the developed slurry materials will maintain excellent sealing performance through the entire gas extraction period. Full article

Mezcal is a distilled beverage with a complex chemical profile defined by volatile organic compounds and physicochemical properties that determine its sensory attrib-utes. This study analyzed nine artisanal mezcals produced from four wild agave species in Oaxaca using solid-phase microextraction (SPME) and gas chromatography–mass spectrometry (GC-MS) to identify key volatile compounds for traceability and quality control. A total of 82 volatile compounds were identified, with esters, terpenes, and higher alcohols being the most abundant. Eight key compounds, including ethyl acetate, acetic acid, 1-butanol, furfural, methanol, and 2-methyl-1-propanol, were quantified due to their significant impact on mezcal’s quality and authenticity. Additionally, 1,2,3-trimethyl-benzene, nerolidol, and terpinolene were identified as exclusive compounds for differentiating mezcal by agave species and storage duration. The findings highlight the influence of fermentation, distillation, and storage conditions on mezcal’s chemical profile and demonstrate the importance of standardized analytical methods for product authentication. Proper management of variables during fermentation and optimization of the final distillation cuts is necessary to fully comply with regulatory parameters and ensure product quality. By establishing a catalog of compounds that characterize the mezcals, this study provides a scientific basis for improving quality control, ensuring regulatory compliance, and enhancing the traceability of mezcal in high-value markets. The next step is to validate the key volatile compounds with a larger sample and evaluate their reproducibility under different production and storage conditions. Full article

The textile industry consumes large volumes of freshwater, producing enormous wastewater containing chemicals from dyeing and bathing, but also microplastics concentrations that have not been deeply studied. Liquid wastes from the synthetic and natural textile manufacturers were treated with a new disruptive technology (Adiabatic Sonic Evaporation and Crystallization, ASEC), which completely removed contaminants from water, providing distilled water and crystallized solids. The current study presents the characterization of the industrial residues and the obtained by-products: microplastics and organic matter contained in the solid residue were analyzed and characterized through chromatography. The results of the analyses displayed that compounds such as benzene, benzoic acid and 2,4-dymethyl-1-heptene were found in the synthetic industry water samples as degraded compounds of polyester and polypropylene. Meanwhile, the natural industry water also contained polyester, nylon and PMM polymer. After the depuration of samples, microplastics were completely retained in the solid phase, together with the organic matter (sulfate and surfactants) resulting on clean water. This is the first study focused on the study of microplastics generated by the textile industry and their prevention by removing them as solid waste. Full article

This study investigates the liquid–liquid equilibrium (LLE) of a cyclohexane (1) + benzene (2) + [N,N-dimethylformamide + sodium thiocyanate] (3) system. Experimental tie-line data were obtained at 298.15 K and 318.15 K under atmospheric pressure (~101 kPa, Maringá, Paraná, Brazil) with varying sodium thiocyanate (NaSCN) concentrations in N, N-dimethylformamide (DMF) (3, 5, 8, and 16 wt%). The results contribute to determining the optimal operating conditions for the liquid–liquid extraction of cyclohexane/benzene mixtures. The Hand and Othmer–Tobias correlations confirm the consistency and accuracy of the experimental data. Furthermore, eNRTL and modified UNIFAC models were employed to correlate the experimental LLE data, achieving a root-mean-square deviation of less than 0.91%. The selectivity and distribution coefficients indicate a high efficiency of benzene distribution into the extract phase, suggesting a low solvent/feed ratio and fewer separation stages required for cyclohexane and benzene separation. Full article

Wuyi Rock tea (WRT), originating from the northern region of Fujian province, has a good reputation for its distinctive Yan flavor and floral–fruity aroma. The aroma quality, an essential element of the Yan flavor, undergoes various changes during the manufacturing process of WRT. To enhance the understanding of the formation patterns of WRT aroma and its influence on the flavor quality of WRT, we utilized both manufactured WRT (Rougui tea) and primary tea as materials. Utilizing a sensory evaluation, detection of volatile compounds, and multivariate statistical analysis, we identified and characterized the distinctive volatile components present in WRT. The sensory evaluation and radar chart analysis revealed that the primary tea exhibited a strong and lasting aroma, along with a mellow taste and a prominent Yan flavor. Through gas chromatography time-of-flight mass spectrometry (GC-TOF MS), a total of 251 volatile compounds were identified. The odor activity value (OAV) was calculated to identify key aroma-active compounds in the primary tea. The results indicated that a total of 14 compounds had an OAV greater than 1.0, including (2-nitroethyl) benzene, indole, and geranylacetone. These compounds exhibited floral and fruity aroma attributes. They primarily formed and accumulated during the latter stages of WRT. Using a partial least squares discrimination analysis (PLS-DA) combined with a variable importance in projection (VIP) score greater than 1.0 as a criterion, a total of 89 compounds were identified. Furthermore, out of the selected compounds, 15 types, including geraniol, 1-nonanol, and 1-butyl-2-ethyl-cyclopropene, were found to exclusively exist during the enzymatic manufacturing stages, particularly during the intermediate and later phases of the turn-over process (the last-three-times turn-over treatments), exhibiting predominantly floral and sweet fragrances. In contrast, during the non-enzymatic stages, only four compounds, such as pentanoic acid and phenylmethyl ester, were detected, exhibiting a fruity aroma profile. These volatile compounds significantly influenced the quality attributes of the final tea product, resulting in strong and lasting characteristics, particularly marked by a pronounced floral and fruity aroma. This study revealed how the aroma quality in WRT is developed and pinpointed possible volatile compounds that react to post-harvest treatments, thereby offering valuable insights relating to the intelligent production strategies of WRT. Full article

Coal tar, a by-product of the pyrolysis of coal, is rich in aromatic compounds that have the potential to facilitate the synthesis of graphene, a high-quality carbon material, via low-temperature chemical vapor deposition (CVD). This approach offers a promising avenue for the cost-effective and large-scale industrial production of graphene while minimizing energy consumption. Nevertheless, there is a paucity of research focused on the low-temperature synthesis mechanisms of graphene derived from aromatic compounds in the context of graphene growth. To achieve high-quality graphene synthesis from coal tar and its aromatic constituents at reduced temperatures, a comprehensive investigation into the reaction pathways of these aromatic compounds is essential. In this study, we meticulously simulate the pyrolysis of benzene, a key aromatic component of coal tar, across various temperature settings utilizing reactive force field (ReaxFF) methodology. Furthermore, we apply density functional theory (DFT) calculations, executed through the Vienna Ab initio Simulation Package (VASP), to assess the dehydrogenation energy associated with the adsorption of benzene on vapor-deposited copper foils. Our molecular dynamics simulations, enhanced by a mixed force field approach, revealed that the dehydrogenated benzene ring (C₆ intermediate) acts as a critical precursor for graphene synthesis. This research significantly elucidates the reaction pathways of aromatic benzene in coal tar through molecular simulations conducted at different temperatures, both in the gas phase and on solid copper foil substrates. Full article

The fig (the syconium of the Ficus tree) and its pollinating fig wasp represent exceptional examples for researching plant–insect interactions due to their remarkable specificity in species interaction and mutually beneficial symbiotic relationship. However, the mechanisms underlying the developmental process of monoecious figs in response to the entry of pollinating fig wasps (pollinators) and the metabolic changes occurring during this process remain elusive. Our study employed a combination of controlled experiments in the field and LC-MS methods to investigate the impact of pollinating fig wasp entry on the developmental phase of figs, as well as the metabolic alterations occurring during this process. A total of 381 metabolites and 155 differential metabolites were identified, with the predominant classes of metabolites being organic acids, lipids, and benzene aromatic compounds. The results suggest that in the absence of wasp entry, the receptive phase of fig would exhibit an extended duration. However, upon the entry of fig wasps, the receptive phase of figs would terminate within a span of 1 to 2 days, concomitant with substantial fluctuations in the composition and proportions of metabolites within the fig. Our research focuses on the analysis of linoleic acid metabolism, phenylpropanoid biosynthesis, and flavonoid biosynthesis pathways. Our findings suggest that the entry of wasps triggers alterations in the metabolic regulatory mechanisms of figs. Prior to wasp entry, metabolites primarily regulate fig growth and development. However, after wasp entry, metabolites predominantly govern lipid accumulation and the establishment of defense mechanisms, indicating a transition in fig development. This metabolic perspective explains why figs promptly enter an interflower phase that is not attractive to pollinating fig wasps after their entry, and how figs achieve reproductive balance through the regulation of different metabolic pathways. This study provides scientific evidence for elucidating the stability mechanism of the fig wasp mutualistic system. Full article

In this work, we present a theoretical study on positron scattering by benzene molecules over a broad energy range (1–1000 eV). The aim of this work is to provide missing data from partial cross-sections for specific processes. In particular, calculations of cross-sections for direct ionization and electronic excitation were carried out for benzene molecules in the gas phase. An estimate for the cross-section for positronium formation is obtained from a comparison with the total cross-section from experiments. Theoretical methodologies used in the study for partial ionization cross-section calculations are based on the binary-encounter Bethe model and take into account an extension of the Wannier theory. The total cross-section shows good agreement with experimental data. Full article

The CO₂-enhanced oil recovery (EOR) technology has the dual significance of enhancing oil recovery and realizing carbon storage in onshore and offshore oil and gas exploitation. This study investigates the adsorption of crude oil components on quartz surfaces and the microscopic mechanisms of CO₂ stripping from crude oil using molecular dynamics simulations. A four-component model representing C₆H₁₄, benzene, resins, and asphaltenes was constructed to simulate the oil phase, while the quartz surface model was created using Materials Studio. Simulations were conducted under different temperature conditions to understand the distribution and adsorption behavior of crude oil components, as well as the impact of CO₂ on the oil film at pressures up to 10 MPa. The results indicate that the resin–asphaltene interactions are significantly weakened at elevated temperatures, affecting the adsorption capacity. Furthermore, CO₂ stripping primarily extracts light components such as C₆H₁₄ and aromatic hydrocarbons, while heavy components remain in the oil phase. The highest extraction efficiency and expansion effect of CO₂ were observed at 35 °C, demonstrating optimal conditions for enhanced oil recovery through CO₂ flooding. These findings provide insights into the effective use of CO₂ for crude oil extraction and its interactions with oil components on a quartz substrate, which is crucial for optimizing CO₂-enhanced oil recovery operations. Full article