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Volatile organic compounds (VOCs), particularly aromatic hydrocarbons, pose significant environmental risks due to their toxicity and role in the formation of secondary pollutants. This study explores the potential of catalytic pyrolysis as an innovative strategy for the effective remediation and conversion of aromatic hydrocarbon pollutants. The research investigates the high-efficiency removal and resource recovery of the VOC toluene using a Ni/Al₂O₃ catalyst. The Ni/Al₂O₃ catalyst was synthesized using the impregnation method and thoroughly characterized. Various analytical techniques, including scanning electron microscopy, X-ray diffraction, and N₂ adsorption–desorption isotherms, were employed to characterize the Al₂O₃ support, NiO/Al₂O₃ precursor, Ni/Al₂O₃ catalyst, and the resulting solid carbon. Results indicate that Ni predominantly occupies the pores of γ-Al₂O₃, forming nano/microparticles and creating interstitial pores through aggregation. The catalyst demonstrated high activity in the thermochemical decomposition of toluene into solid carbon materials and CO_x-Free hydrogen, effectively addressing toluene pollution while recovering valuable resources. Optimal conditions were identified, revealing that a moderate temperature of 700 °C is most favorable for the catalytic process. Under optimized conditions, the Ni/Al₂O₃ catalyst removed 1328 mg/g of toluene, generated 915 mg/g of carbon material, and produced 1234 mL/g of hydrogen. The prepared carbon material, characterized by its mesoporous structure and high specific surface area graphite nanofibers, holds potential application value in adsorption, catalysis, and energy storage. This study offers a promising approach for the purification and resource recovery of aromatic volatile organic compounds, contributing to the goals of a circular economy and green chemistry. Full article

Protein adsorption behavior was examined on poly(N-isopropylacrylamide-co-sodium methacrylate)-based hydrogels at different temperatures: 5, 20, and 37 °C, and pH: 4.5, 7, and 9.2. The hydrogels, whose covalent skeleton contains pendant anionic units due to the presence of the sodium methacrylate co-monomer, exhibited both thermo- and pH-sensitivity with different extents, which depended on the content of ionizable moieties and the cross-linker density. The hydrogel composition, temperature, and pH influenced the zeta potential of the hydrogels and their swelling properties. The proteins selected for the study, i.e., bovine serum albumin (BSA), ovalbumin (OVA), lysozyme (LYZ), and a monoclonal antibody (mAb2), differed in their aminoacidic composition and conformation, thus in isoelectric point, molecular weight, electrostatic charge, and hydrophobicity. Therefore, the response of their adsorption behavior to changes in the solution properties and the hydrogel composition was different. LYZ exhibited the strongest adsorption of all proteins with a maximum at pH 7 (189.5 mg ggel−1); adsorption of BSA and OVA reached maximum at pH 4.5 (24.4 and 23.5 mg ggel−1), whereas mAb2 was strongly adsorbed at 9.2 (21.7 mg ggel−1). This indicated the possibility of using the hydrogels for pH-mediated separation of proteins differing in charge under mild conditions in a water-rich environment of both the liquid solution and the adsorbed phase. The adsorption affinity of all proteins increased with temperature, which was attributed to the synergistic effects of attractive electrostatic and hydrophobic interactions. That effect was particularly marked for mAb2, for which the temperature change from 5 to 37 °C caused a twentyfold increase in adsorption. In all cases, the proteins could be released from the hydrogel surface by a reduction in temperature, an increase in pH, or a combination of both. This allows for the elimination of the use of salt solution as a desorbing agent, whose presence renders the recycling of buffering solutions difficult. Full article

Background: Clear cell renal cell carcinoma (ccRCC) comprises the majority, approximately 70–80%, of renal cancer cases and often remains asymptomatic until incidentally detected during unrelated abdominal imaging or at advanced stages. Currently, standardized screening tests for renal cancer are lacking, which presents challenges in disease management and improving patient outcomes. This study aimed to identify ccRCC-specific volatile organic compounds (VOCs) in the urine of ccRCC-positive patients and develop a urinary VOC-based diagnostic model. Methods: This study involved 233 pretreatment ccRCC patients and 43 healthy individuals. VOC analysis utilized stir-bar sorptive extraction coupled with thermal desorption gas chromatography/mass spectrometry (SBSE-TD-GC/MS). A ccRCC diagnostic model was established via logistic regression, trained on 163 ccRCC cases versus 31 controls, and validated with 70 ccRCC cases versus 12 controls, resulting in a ccRCC diagnostic model involving 24 VOC markers. Results: The findings demonstrated promising diagnostic efficacy, with an Area Under the Curve (AUC) of 0.94, 86% sensitivity, and 92% specificity. Conclusions: This study highlights the feasibility of using urine as a reliable biospecimen for identifying VOC biomarkers in ccRCC. While further validation in larger cohorts is necessary, this study’s capability to differentiate between ccRCC and control groups, despite sample size limitations, holds significant promise. Full article

TiO₂ used for photocatalytic water purification is most active in the form of nanoparticles (NP), but their use is fraught with difficulties in separation from solution or/and a tendency to agglomerate. The novel materials designed in this work circumvent these problems by immobilizing TiO₂ NPs on the surface of exfoliated clay minerals. A series of TiO₂/clay mineral composites were obtained using five different clay components: the Na-, CTA-, or H-form of montmorillonite (Mt) and Na- or CTA-form of laponite (Lap). The TiO₂ component was prepared using the inverse microemulsion method. The composites were characterized with X-ray diffraction, scanning/transmission electron microscopy/energy dispersive X-ray spectroscopy, FTIR spectroscopy, thermal analysis, and N₂ adsorption–desorption isotherms. It was shown that upon composite synthesis, the Mt interlayer became filled by a mixture of CTA⁺ and hydronium ions, regardless of the nature of the parent clay, while the structure of Lap underwent partial destruction. The composites displayed high specific surface area and uniform mesoporosity determined by the size of the TiO₂ nanoparticles. The best textural parameters were shown by composites containing clay components whose structure was partially destroyed; for instance, Ti/CTA-Lap had a specific surface area of 420 m²g⁻¹ and a pore volume of 0.653 cm³g⁻¹. The materials were tested in the photodegradation of methyl orange and humic acid upon UV irradiation. The photocatalytic activity could be correlated with the development of textural properties. In both reactions, the performance of the most photoactive composites surpassed that of the reference commercial P25 titania. Full article

Two-dimensional (2D) ferroelectrics usually exhibit instability or a tendency toward degradation when exposed to the ambient atmosphere, and the mechanism behind this phenomenon remains unclear. To unravel this affection mechanism, we have undertaken an investigation utilizing NH₃ and two-dimensional ferroelectric SnS. Herein, the adsorption and desorption of NH₃ molecules can reversibly modulate the electrical properties of SnS, encompassing I–V curves and transfer curves. The response time for NH₃ adsorption is approximately 1.12 s, which is much quicker than that observed in other two-dimensional materials. KPFM characterizations indicate that air molecules’ adsorption alters the surface potentials of SiO₂, SnS, metal electrodes, and contacts with minimal impact on the electrode contact surface potential. Upon the adsorption of NH₃ molecules or air molecules, the hole concentration within the device decreases. These findings elucidate the adsorption mechanism of NH₃ molecules on SnS, potentially fostering the advancement of rapid gas sensing applications utilizing two-dimensional ferroelectrics. Full article

The presence of pollutants in water sources, particularly dyes coming by way of the textile industry, represents a major challenge with far-reaching environmental consequences, including increased scarcity. This phenomenon endangers the health of living organisms and the natural system. Numerous biosorbents have been utilized for the removal of dyes from the textile industry. The aim of this study was to optimize discarded Zygophyllum gaetulum stems as constituting an untreated natural biosorbent for the efficient removal of C.I. Direct Black 80, an azo textile dye, from an aqueous solution, thus offering an ecological and low-cost alternative while recovering the waste for reuse. The biosorbent was subjected to a series of characterization analyses: scanning electron microscopy (SEM), thermogravimetric analysis (TGA), Brunauer–Emmett–Teller (BET) method, X-ray diffraction (XRD), and infrared spectroscopy (IR) were employed to characterize the biosorbent. Additionally, the moisture and ash content of the plant stem were also examined. The absorption phenomenon was studied for several different parameters including the effect of the absorption time (0 to 360 min), the sorbent mass (3 to 40 g/L), the pH of the solution (3 to 11), the dye concentration (5 to 300 mg/L), and the pH of the zero-charge point (2–12). Thermodynamic studies and desorption studies were also carried out. The results showed that an increase in plant mass from 3 to 40 g/L resulted in a notable enhancement in dye adsorption rates, with an observed rise from 63.96% to 97.08%. The pH at the zero-charge point (pHpzc) was determined to be 7.12. The percentage of dye removal was found to be highest for pH values ≤ 7, with a subsequent decline in removal efficiency as the pH increased. Following an initial increase in the amount of adsorbed dye, equilibrium was reached within 2 h of contact. The kinetic parameters of adsorption were investigated using the pseudo-first-order, pseudo-second-order and Elovich models. The results indicated that the pseudo-first-order kinetic model was the most appropriate for the plant adsorbent. The isotherm parameters were determined using the Langmuir, Frendlich, Temkin, and Dubinin–Radushkevich models. The experimental data were more satisfactory and better fitted using the Langmuir model for the adsorption of dye on the plant. This study demonstrated that Zygophyllum gaetulum stems could be employed as an effective adsorbent for the removal of our organic dye from an aqueous solution. Full article

Background: Due to it containing cellulose, hemicellulose, and lignin with abundant specific functional groups which could interact with organic dyes, garlic peel (GP) might be used as an efficient biosorbent. The aim of this study is to evaluate the adsorption performances of GP-based bio-adsorbents and obtain optimum preparation conditions. Methods: GP-based bio-adsorbents were prepared by thermal pyrolysis under different temperatures (150–400 °C). The morphologies, chemical states, and surface functional groups of the adsorbents were analyzed by X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), and thermogravimetric analysis (TGA). Batch experiments were conducted to investigate the adsorption of methylene blue (MB) under various conditions, including contact time, contact temperature, initial dye concentration, and initial pH value. The equilibrium adsorption data were fitted to different kinetic and isothermal models, and the adsorption thermodynamics were also calculated. Significant Findings: The physicochemical properties of the GP-based bio-adsorbents were primarily dominated by the pyrolysis temperature, because their morphologies and surface functional groups of GP-based bio-adsorbents significantly varied with the changes in pyrolysis temperature. The adsorption capacity of GP materials for MB decreased as the pyrolysis temperature increased. At an initial concentration of 50.00 mg L⁻¹, GP150 possessed a higher adsorption capacity of 167.74 mg g⁻¹ toward MB. The possible adsorbate–adsorbent interactions, including electrostatic attraction, hydrogen bonding, and π-π stacking, were recognized. After 10 consecutive adsorption–desorption cycles, GP150 maintained a high removal rate (88%) for MB, demonstrating its excellent adsorption performance, good reusability, and potential application in the treatment of MB-contaminated water. Full article

This work used piperazine (PZ) as a base solvent, blended individually with five amines, which were monoethanolamine (MEA), secondary amines (DIPAs), tertiary amines (TEAs), stereo amines (AMPs), and diethylenetriamine (DETA), to prepare mixed solvents at the desired concentrations as the test solvents. A continuous bubble-column scrubber with one stage (1 s) was first used for the test. Six parameters were selected, including the type of mixed solvent (A), the ratio of mixed solvents (B), the solvent feed rate (C), the gas flow rate (D), the concentration of the mixed solvents (E), and the liquid temperature (F), each one having five levels. Using the Taguchi experimental design, only 25 runs were required. The outcome data, such as the absorption efficiency (E_F), the absorption rate (R_A), the overall mass-transfer coefficient (K_Ga), and the absorption factor (φ), could be determined under steady-state conditions. The optimal mixed solvents were found to be A1 (PZ + MEA) and A2 (PZ + DIPA). The parameter importance and optimal conditions for E_F, R_A, K_Ga, and ϕ were determined separately; the verification of all optimal conditions was successful. This analysis found that the importance of the parameters was D > C > A > E > B > F, and the gas flow rate (D) was the most important factor. Subsequently, multiple-stage scrubbers were used to capture CO₂. Comparing 1 s and 3 s (three-stage scrubber), E_F, R_A, K_Ga, and φ increased by 33%, 29%, 22%, and 38%, respectively. The desorption tests for the four optimal scrubbed solutions, including multiple stages, showed that the heat of regeneration for the three scrubbers was 3.57–8.93 GJ/t, in the temperature range of 110–130 °C, while A2 was the best solvent. Finally, the heat regeneration mechanism was also discussed in this work. Full article

Construction of S-scheme heterojunctions can effectively limit the recombination of photogenerated e⁻ and h⁺, thus improving photocatalytic activity. Therefore, S-scheme ZnO/BiOCl (molar ratio = 1:2) n–n heterojunctions were synthesized via a hydrothermal–hydrolysis combined method in this study. The physical and chemical properties of the ZnO/BiOCl heterojunctions were characterized by XRD, XPS, SEM, TEM, DRS, N₂ adsorption–desorption and ESR. Additionally, the photoelectric performances of ZnO/BiOCl heterojunctions were investigated with TPR, M–S plot and EIS. The results show that photocatalytic degradation of NOR by ZnO/BiOCl reached to 94.4% under simulated sunlight, which was 3.7 and 1.6 times greater than that of ZnO and BiOCl, respectively. The enhanced photodegradation ability was attributed to the enhancement of the internal electric field between ZnO and BiOCl, facilitating the active separation of photogenerated electrons and holes. The radical capture experiments and ESR results illustrate that the contribution of reactive species was in descending order of ·OH > h⁺ > ·O₂⁻ and a possible mechanism for the photodegradation of NOR over S-scheme ZnO/BiOCl heterojunctions was proposed. Full article

Hydrogen storage has been a bottleneck factor for the application of hydrogen energy. Hydrogen storage capacity for titanium-decorated boron-doped C₂₀ fullerenes has been investigated using the density functional theory. Different boron-doped C₂₀ fullerene absorbents are examined to avoid titanium atom clustering. According to our research, with three carbon atoms in the pentagonal ring replaced by boron atoms, the binding interaction between the Ti atom and C₂₀ fullerene is stronger than the cohesive energy of titanium. The calculated results revealed that one Ti atom can reversibly adsorb four H₂ molecules with an average adsorption energy of −1.52 eV and an average desorption temperature of 522.5 K. The stability of the best absorbent structure with a gravimetric density of 4.68 wt% has been confirmed by ab initio molecular dynamics simulations. These findings suggest that titanium-decorated boron-doped C₂₀ fullerenes could be considered as a potential candidate for hydrogen storage devices. Full article

The primary aim of this study is to investigate the degradation efficacy of the Ppy/TiO₂-Fe photocatalyst for MB dye in an aqueous solution. Firstly, the direct addition of TiO₂ and Fe was done to prepare Ppy/TiO₂-Fe photocatalyst. Fourier transformation infrared spectroscopy, XRD, SEM, BET surface area analysis, and magnetization tests established the formation of the Ppy/TiO₂-Fe photocatalyst. The crystallite sizes of TiO₂, Fe-TiO₂, and Ppy/TiO₂-Fe photocatalyst were estimated to be 24.99 nm, 21.94 nm, and 21.84 nm, respectively. For the synthesis confirmation, the FTIR spectrum confirmed the existence of Ti-O, Fe-O, and Ppy-related bonds. While comparing the SEM images, the impact of polypyrrole on the particle shape was observed with less aggregation and increased surface roughness. The VSM analysis revealed that incorporating polypyrrole (Ppy) into Fe-TiO₂ significantly enhances its magnetic properties, with Ppy/TiO₂-Fe exhibiting superparamagnetic behavior, characterized by a higher saturation magnetization (M_s) of 33.11 emu/g and a lower coercivity (H_c) of 0.160 Oe, compared to Fe-TiO₂’s M_s of 1.09 emu/g and H_c of 341.39 Oe. The N₂ sorption desorption, with a specific surface area of 2.25 × 10² m²/g, is beneficial for photocatalytic activity. The concentration of dye, amount of catalyst, pH, and temperature were studied to evaluate the photocatalytic efficiency of the synthesized Ppy/TiO₂-Fe photocatalyst under different conditions. The findings revealed a degradation efficiency of 91.92%. The degradation rate reached 91.92% under optimal conditions within 120 min and could be fitted well by first-order kinetics. The photocatalytic efficiency was also evaluated for the scavenger, and the concentration of H₂O₂ and the reusability of the catalyst were demonstrated. Based on the observed results, the Ppy/TiO₂-Fe photocatalyst could be applied more effectively and efficiently to photocatalytic degradation of organic dyes in wastewater treatment. Full article

This study aimed to evaluate the impact of different closures used in second fermentation on the aromatic fraction of sparkling wine. Six types of closures (cork stoppers and screw caps) and 94 months of aging in a bottle were investigated. Headspace solid-phase microextraction (HS-SPME) and thermal desorption (TD) procedures coupled to gas chromatography-mass spectrometry (GCMSMS) analysis were applied. The vectors containing the relative abundance of the volatile compounds are compositional vectors. The statistical analysis of compositional data requires specific techniques that differ from standard techniques. Overall, 101 volatile compounds were identified. HS-SPME extracted the highest percentage of esters, ketones and other compounds, while TD was a useful tool for the obtention of alcohol, acid, ether and alkane compounds. Esters were the most abundant family of compounds. Compositional data analysis, which was applied to study the impact of different closures used in bottle aging after second fermentation on the volatile composition of sparkling wine, concluded that there are differences in the relative abundance of certain volatile compounds between cork stoppers and screw-cap closures. Overall, the most abundant part in screw-cap closures was ethyl hexanoate, and it was ethyl octanoate in cork stoppers. Also, the proportional amount of dimethylamine was higher in screw-cap closures than cork stoppers relative to the entire sample. Full article

Three MnCeTiO_x catalysts with the same composition were prepared by conventional co-precipitation (MCT-C), reverse co-precipitation (MCT-R), and parallel co-precipitation (MCT-P), respectively, and their low-temperature SCR performance for de-NO_x was evaluated. The textural and structural properties, surface acidity, redox capacity, and reaction mechanism of the catalysts were investigated by a series of characterizations including N₂ adsorption and desorption, XRD, SEM, XPS, H₂-TPR, NH₃-TPD, NO-TPD, and in situ DRIFTs. The results revealed that the most excellent catalytic performance was achieved on MCT-R, and more than 90% NO_x conversion can be obtained at 100–300 °C under a high GHSV of 80,000 mL/(g_cat·H). Furthermore, MCT-R possessed optimal tolerance to H₂O and SO₂ poisoning. The excellent catalytic performance of MCT-R can be attributed to its larger BET specific surface area; higher contents of Mn⁴⁺, Ce³⁺, and adsorbed oxygen species; and more adsorption capacity for NH₃ and NO. Moreover, in situ DRIFTs results indicated that the NH₃-SCR reaction follows simultaneously the Langmuir–Hinshelwood and Eley–Rideal mechanisms at 100 °C. By adjusting the adding mode during the co-precipitation process, excellent low-temperature de-NO_x activity of MCT-R can be obtained simply and conveniently, which is of great practical value for the preparation of a MnCeTiO_x catalyst for denitrification. Full article

Magnesium hydride solids doped with transition metals have received attention recently as prospective hydrogen storage materials for a green energy source and a hydrogen economy. In this study, MgTiH_n (n = 1–20) clusters were investigated for the first time by employing the B3PW91 hybrid density functional theory computational chemistry technique with all electron basis sets to determine precise cluster structures and the maximum hydrogen capacity for this model system. We find that hydrogen atoms bind to the metal cluster core until a MgTiH₁₄ saturation limit is reached, with hydrogen dissociation from this system occurring for MgTiH₁₅ and larger cluster sizes. This MgTiH₁₄ cluster contains a large 16.4% hydrogen by mass. This saturation size limit and hydrogen mass percent is larger than the analogous MgScH_n system previously reported. The clusters relative stabilities and electronic properties are discussed along with a possible novel hydrogen dissociation pathway. MgTiH₁₀ and MgTiH₁₃ clusters are predicted to be especially stable species in this size range. Full article

Recently, volatile organic compound (VOC) determination in exhaled breath has seen growing interest due to its promising potential in early diagnosis of several pathological conditions, including chronic kidney disease (CKD). Therefore, this study aimed to identify the breath VOC pattern providing an accurate, reproducible and fast CKD diagnosis at early stages of disease. A cross-sectional observational study was carried out, enrolling a total of 30 subjects matched for age and gender. More specifically, the breath samples were collected from (a) 10 patients with end-stage kidney disease (ESKD) before undergoing hemodialysis treatment (DIAL); (b) 10 patients with mild-moderate CKD (G) including 3 patients in stage G2 with mild albuminuria, and 7 patients in stage G3 and (c) 10 healthy controls (CTRL). For each volunteer, an end-tidal exhaled breath sample and an ambient air sample (AA) were collected at the same time on two sorbent tubes by an automated sampling system and analyzed by Thermal Desorption–Gas Chromatography–Mass Spectrometry. A total of 110 VOCs were detected in breath samples but only 42 showed significatively different levels with respect to AA. Nonparametric tests, such as Wilcoxon/Kruskal–Wallis tests, allowed us to identify the most weighting variables able to discriminate between AA, DIAL, G and CTRL breath samples. A promising multivariate data mining approach incorporating only selected variables (showing p-values lower than 0.05), such as nonanal, pentane, acetophenone, pentanone, undecane, butanedione, ethyl hexanol and benzene, was developed and cross-validated, providing a prediction accuracy equal to 87% and 100% in identifying patients with both mild–moderate CKD (G) and ESKD (DIAL), respectively. Full article