Search Results (415)

A precise characterization of molecular vibrations and thermodynamic properties is essential for applications in spectroscopy, computational modeling, and chemical process design. In this study, the q-deformed Tietz (qDT) oscillator is applied to examine vibrational energy spectra of diatomic molecules and thermodynamic properties of nonlinear symmetric triatomic molecules. Vibrational energy eigenvalues were obtained analytically using the improved Nikiforov-Uvarov method. The symmetric vibrational mode was described with the qDT oscillator, while asymmetric and bending modes were modeled using the rigid rotor harmonic oscillator (RRHO); translational and rotational contributions were incorporated from standard models. For diatomic molecules (BrF, CO⁺, CrO, ICl, KRb, NaBr), mean absolute percentage errors (MAPE) ranged from 0.53% to 1.73% for vibrational energy eigenvalues and 0.34% to 1.08% for potential fits. Extending the analysis to triatomic molecules, thermodynamic properties of AlCl₂, BF₂, Cl₂O, OF₂, O₃, and SO₂ were calculated with the qDT model, yielding low MAPE benchmarked against NIST-JANAF reference data: entropy 0.203% to 0.614%, enthalpy 1.792% to 5.861%, Gibbs free energy 0.419% to 1.270%, and constant-pressure heat capacity 1.475% to 4.978%. These results demonstrate the versatility and accuracy of the qDT oscillator as an analytical framework connecting molecular potentials, vibrational energies, and thermodynamic functions, providing a practical and tractable approach for modeling both diatomic and symmetric triatomic systems. Full article

Background/Objectives: Empagliflozin (EMPA) was repurposed for Alzheimer’s disease (AD) treatment via buccal delivery, exploiting novel nanofibers (NFs) integrating chitosan (Cs), silk fibroin (Fb), and poly(lactic acid) (PLA). Methods: EMPA-loaded Cs/Fb/PLA NFs were electrospun in different formulations to optimize the formulation parameters. The optimized formulation was then investigated for its enhanced in vivo effect. Results: Optimized nanofiber diameters ranged from 459 ± 173 to 668 ± 148 nm, possessing bead-free morphology confirmed by SEM and satisfactory mechanical properties. EMPA was successfully well-dispersed in the polymer matrix as evidenced by FTIR, XRD, and drug content. The optimized NFs displayed a hydrophilic surface (contact angle < 90°), and biphasic drug release with sustained EMPA liberation (84.98% over 24 h). In vivo, buccal EMPA-Cs/Fb/PLA NFs in an AlCl₃-induced AD rat model significantly reduced brain-amyloid-β, phosphorylated tau, IL-1β, and AGER expression by 2.88-, 2.64-, 2.87-, and 2.50-fold, respectively, compared to positive controls, and improved locomotor activity (1.86-fold) and cognitive performance (T-maze) (4.17-fold). Compared to pure EMPA, the nanofiber formulation achieved further reductions in amyloid-β (1.78-fold), p-tau (1.42-fold), IL-1β (1.89-fold), and AGER (1.38-fold), with efficacy comparable to memantine. Histopathological examination revealed preservation of the hippocampal neuronal structure. Conclusions: The findings suggest EMPA-loaded Cs/Fb/PLA NFs as a promising non-invasive, sustained-release buccal delivery platform for AD therapy, offering multimodal neuroprotection through modulation of the Aβ–AGER–p-tau axis. Full article

Agricultural residues, such as vineyard prunings, are abundant yet underutilized resources with potential for conversion into value-added products. In this study, vineyard prunings were investigated for the first time as feedstock for nutrient-enriched biochars intended for use as enhanced efficiency fertilizers (EEFs). Four biochars were produced using distinct physical (industrial-scale pyrolysis, CO₂-assisted pyrolysis) and chemical (MgCl₂, AlCl₃ pretreatment) procedures. Their adsorption capacities for nitrogen (N), phosphorus (P), and potassium (K) were evaluated across a wide pH range (2–13). Optimization studies, including dosage, kinetics, and isotherms, revealed maximum Langmuir adsorption capacities of 10.4 mg N g⁻¹ and 12.7 mg P g⁻¹, which were comparable to or higher than other low-cost agricultural biochars, confirming the competitive performance of vineyard pruning-derived biochars. Beyond adsorption efficiency, these biochars provide additional benefits by valorizing a widely available viticulture residue, reducing open-field disposal and burning, and generating low-cost fertilizers that may reduce nutrient leaching and improve soil health. This work introduces a novel circular pathway linking vineyard waste management to sustainable nutrient delivery, integrating agricultural byproduct utilization with environmental remediation strategies. Full article

Background/Objective: Alzheimer’s disease (AD) is a neurodegenerative condition characterized by oxidative stress, neuroinflammation, amyloidogenesis, and tau-related pathology. This study investigated the macronutrient and phytochemical composition of strawberry (S), lemon (L), and lemon juice-assisted strawberry (S/L) extracts and evaluated their neuroprotective efficacy relative to selenium (Se) in an aluminum chloride (AlCl₃)-induced rat model of AD. Methods: Macronutrients and phenolics were quantified in S, L, and S/L, and the extracts were profiled using high-performance liquid chromatography and electrospray ionization tandem mass-spectrometry. Male Sprague–Dawley rats received AlCl₃ with or without S, L, S/L, or Se, and their cognitive performance was assessed using the Morris water maze, Y-maze, and conditioned avoidance tests. Markers of oxidative status, inflammation, cholinergic function, apoptotic signaling, and Wnt3/β-catenin pathway activity were quantified in the brain tissue, and cortico-hippocampal morphology was examined. Results: The S/L extract showed the highest carbohydrate, protein, and lipid content. The total phenolic content was highest in S/L (60.46 mg gallic acid equivalents/g), followed by L (55.08) and S (44.75), with S/L also being the richest in gallic, ellagic, and chlorogenic acids. S/L attenuated AlCl₃-induced cognitive deficits, restored antioxidant status, suppressed neuroinflammation, improved cholinergic indices, modulated apoptotic signaling, and downregulated amyloidogenic and NLRP3 inflammasome markers, consistent with histological evidence of neuronal preservation. Conclusions: Lemon juice-assisted extraction enhanced the macronutrient and phenolic richness and multitarget neuroprotection of strawberries. S/L co-extracts represent promising functional food–derived adjuvants for AD management and support integrative compositional–mechanistic profiling to optimize natural product–based interventions. Full article

Background and Objectives: Breast Implant-Associated Anaplastic Large Cell Lymphoma (BIA-ALCL) is a T-cell lymphoma that has shown an interest in the medical community in recent years. Given its emerging clinical relevance, accurate imaging plays a crucial role in diagnosis, staging, and follow-up. This systematic review aims to evaluate the role of Fluorine-18 Fluorodeoxyglucose positron emission tomography/computed tomography (18F-FDG PET/CT) in the staging and follow-up of patients with BIA-ALCL, focusing on its diagnostic accuracy and clinical impact. Materials and Methods: A systematic search of PubMed and National Center for Biotechnology Information (NCBI) was conducted to identify studies assessing the use of 18F-FDG PET/CT in BIA-ALCL up to and including 15 April 2024, using the following keywords “breast implant-associated anaplastic large cell lymphoma” AND “PET/CT” AND “BIA-ALCL”. Data regarding the role of PET/CT in disease detection, staging, therapeutic guidance, and post-treatment surveillance was analyzed and synthesized in a tabulated format for comparative analysis. Given study heterogeneity, findings were synthesized narratively and diagnostic performance metrics were summarized descriptively, and no formal risk-of-bias assessment was performed due to the descriptive, case-based nature of evidence. Results: A total of 28 studies met the inclusion criteria, comprising 27 individual case reports and one case series that included seven patients. Across these studies, 18F-FDG PET/CT demonstrated diagnostic utility in the evaluation of BIA-ALCL, serving primarily for initial disease staging in 27 cases and for monitoring treatment response in 16 cases. Discussion: The review’s limitations include potential search bias due to variable radiotracer terminology and the restriction to English-language studies, which may limit literature retrieval and generalizability. Conclusions: Thus, 18F-FDG PET/CT demonstrated significant value in early lesion detection, accurate staging, assisting in monitoring treatment response and detecting recurrence. Full article

In recent decades, the quantity of sperm and the quality of semen have decreased, causing an increased incidence of male infertility. The increased exposure to environmental pollutants and metals, including aluminum, is one of the causes. Aluminum is reported to activate the proinflammatory macrophages and the NOD-like receptor pyrin domain-containing 3 (NLRP3) inflammasome pathway in many organs. Thymoquinone (TQ), the bioactive component of Nigella sativa, possesses immunomodulatory, anti-inflammatory, anti-apoptotic, and antioxidant properties. The purpose of this work is to investigate how thymoquinone affects aluminum chloride (AlCl₃)-induced testicular damage and to study, for the first time, its role in modifying the inflammasome pathway, specifically NLRP3/caspase-1/IL-1β, and in targeting macrophage polarization. Negative control, TQ control (10 mg/kg/d), AlCl₃ group (100 mg/kg/d), and AlCl₃ + TQ group were the rat groups. Serum testosterone, FSH, and LH were measured, along with a seminal analysis, evaluation of testicular oxidative stress markers, and assessment of testicular enzymes LDH, SDH, and ACP. NLRP3, caspase-1, IL-1β, CD68, and CD163 immunohistochemical staining, as well as histological alterations, were evaluated. TQ could lower oxidative stress markers, limit the AlCl₃-induced activation of the NLRP3/caspase-1/IL-1β inflammasome pathway, and induce macrophage polarization toward an M2 anti-inflammatory phenotype, thereby restoring testicular enzymes, histological structure, semen quality, and hormone levels. Thymoquinone attenuates aluminum chloride-induced testicular injury by inhibiting NLRP3/caspase-1/IL-1β inflammasome signaling and polarizing the macrophages toward an anti-inflammatory M2 phenotype. Full article

Alumina nanoparticles have broad applications in catalysis, electronics, and the construction sector, and are widely incorporated as additives in coating formulations to enhance mechanical durability and functional performance. This work focuses on the green synthesis of aluminum oxide (Al₂O₃) nanoparticles using lemongrass (Cymbopogon citratus) extract. Aluminum nitrate [Al(NO₃)₃] and aluminum chloride (AlCl₃) were used with extract. The reaction was carried out at 70 °C for 1 h at 250 rpm and then thermal treatments at 700 °C and 900 °C were applied. The results showed that nanoparticles synthesized from the AlCl₃ and calcined at 700 °C exhibited a smaller particle size (36 ± 14 nm) as compared with those synthesized from the [Al(NO₃)₃] and calcined at 700 °C (49 ± 25 nm). Despite both precursors yielding nanoparticles, the peaks related to the γ-Al₂O₃ crystal phase were observed in the AlCl₃ at 700 °C calcination. Conversely, the nanoparticles synthesized from the [Al(NO₃)₃] required a high temperature treatment at 900 °C to display this stable crystal phase. This study reports an easy and cost-effective green chemistry route to obtain γ-Al₂O₃ nanoparticles, highlighting the importance of the selection of precursors as a critical step to achieve a sustainable and low-energy process, suggesting the potential applications in paints with multifunctional properties. Full article

Background: Breast implant-associated anaplastic large cell lymphoma (BIA-ALCL) is a mature T-cell lymphoma linked to textured breast implants. A leading hypothesis suggests that chronic inflammation, combined with immunological and genetic factors, drives its pathogenesis. Two previous studies investigating bacterial biofilms on breast implant capsules have produced conflicting results, particularly regarding the enrichment of Ralstonia spp. Methods: We analyzed the microbiota profiles in seroma samples from 10 BIA-ALCL patients and 12 patients with non-neoplastic effusion, subclassified into acute-, mixed-, and chronic-type based on cellular composition. We used two metagenomic approaches: 16S rRNA gene sequencing and Nanopore sequencing with the “What’s in My Pot?” (WIMP) taxonomic classifier. Our analyses included alpha and beta diversity metrics, as well as comparisons of Gram status and oxygen requirements. Results: Both sequencing methods identified Staphylococcaceae, Propionibacteriaceae, and Bradyrhizobiaceae as the most prevalent bacterial families in both BIA-ALCL and benign seroma samples. Notably, the Burkholderiaceae family was more abundant in some of the benign seromas according to the 16S rRNA sequencing, but Ralstonia spp. were not detected. BIA-ALCL showed higher richness (based on Nanopore data) and higher evenness (based on 16S rRNA data) compared to acute-type seromas, indicating a more homogenous representation of the different taxa identified. BIA-ALCL seromas did not cluster together based on Nanopore data, but they did form a distinct cluster with 16S rRNA data. This cluster was differentiated from the other two clusters by a relatively balanced presence of multiple families without overt dominance. We observed no significant differences in Gram staining between BIA-ALCL and benign samples using either method. However, non-aerobic bacterial families were enriched in BIA-ALCL cases only when analyzed with the Nanopore pipeline. Conclusions: Overall, our findings did not identify a distinctive microbial signature specifically associated with BIA-ALCL. Full article

High-throughput colourimetric assays are widely used to screen phenolic phytonutrients in foods and plants, supporting discovery, quality control, and preliminary nutraceutical assessment. This review summarises the historical development, operating principles, and limitations of phenolic-based benchtop methods, and reports practical guidance for defensible application. The following colourimetric approaches are critically evaluated: Folin–Ciocalteu for total phenolics; AlCl₃-based and alternative total flavonoid methods; the pH-differential procedure for total monomeric anthocyanins; and tannin assays including vanillin–HCl, butanol–HCl (Porter), DMACA, protein-precipitation, and hydrolysable-tannin (rhodanine/ellagic-acid) protocols. For each method, common biases are identified, matrix interferences, reagent cross-reactivity, oxidative artefacts, dependence on calibration standard, and the chemical meaning of the readout is clarified. A best-practice framework is proposed: define the analytical target; pair complementary assays; pre-clean extracts; justify standards and wavelengths; control oxidation; validate spike-recovery and conversion checks; and contextualise outcomes using functional measures. A consistent conclusion emerges: no single method quantifies “total tannins” or “total flavonoids” across diverse matrices, and transparent reporting with method triangulation is essential for comparability and credible nutraceutical interpretation. The guidance consolidated here aims to standardise practice, minimise over- and underestimation artefacts, and strengthen the evidentiary value of data in food and nutraceutical research. Full article

We have fabricated amorphous tin oxide (a-SnO_x) thin-film transistors (TFTs) with Al₂O₃ gate insulator from deep eutectic solvents (DESs). DESs were formed using the chloride derivates of each precursor (SnCl₂, or AlCl₃) mixed with urea. The DESs were then used as precursors for the semiconductor and dielectric. Our target was to form extremely thin semiconductor film, and a sufficient high capacitance insulator. We characterized the physical and chemical properties of the DES-derived thin films by X-ray diffraction (XRD), atomic force microscopy (AFM), and X-ray photoelectron spectroscopy (XPS). We could evaluate that the highest content of metal–oxygen bonds was from the DES condition SnCl₂–urea = 1:3. At a low 300 °C budget temperature, we could fabricate a 3.2 nm thick a-SnO_x layer and 30 nm thick Al₂O₃, from which the TFT demonstrated a mobility of 80 ± 17 cm²/Vs, threshold voltage of −0.29 ± 0.06 V, and subthreshold swing of 88 ± 11 mV/dec. The proposed process is adequate with the back-end of the line (BEOL) process, but it is also eco-friendly because of the use of DESs. Full article

Background/Objectives: Three-dimensional (3D) in vitro cell culture models have recently stimulated great interest since they may have more pre-clinical value than conventional in vitro 2D models. In fact, 3D culture models may mimic the in vivo biophysical 3D structure of tumors and cell-to-cell interaction, thereby representing a more useful approach to testing drug responses. In this study we have developed a 3D culture model of an EBV+/CD30+cell line, D430B, previously characterized as an Anaplastic Large Cell Lymphoma of B phenotype (B-ALCL), to determine the cytotoxic activity of the antibody–drug conjugate Brentuximab Vedotin. Methods: By using of ultra-low attachment plates, we developed D430B spheroids that appeared particularly homogenous in terms of growth and size. Results: Brentuximab Vedotin treatment (1 to 20 μg/mL) turned out to be significantly cytotoxic to these cells, while the addition of the anti-CD20 chimeric antibody Rituximab (10 μg/mL) appeared almost ineffective, even though these cells express CD20. Moreover, when we co-cultured D430B cells with stromal cells (HS5), to re-create a microenvironment representative of neoplastic cell/mesenchymal cell interactions within the lymph node, we observed a significant, although faint, protective effect. Conclusions: This simple and reproducible method of generating D430B-ALCL spheroids to evaluate their response to Brentuximab Vedotin treatment, as here described, may provide a valuable preliminary tool for the future pre-clinical screening of patients’ primary lymphoma cells or the development of novel therapies for this type of pathology and related diseases. Full article

The electronic effects of Lewis acids (LAs) in reducing the activation energies of Alder-ene (AE) reactions have been studied within the Molecular Electron Density Theory (MEDT). To this end, the AE reactions of 2-methylbutadiene (2MBD) with formaldehyde (CHO) in the presence of three LAs with increasing acidic character, BH₃, BF₃, and AlCl₃, have been studied. Topological analysis of the electron density and the evaluation of the DFT-based reactivity indices indicate that LAs do not modify the electronic structure of the carbonyl group but markedly increase the electrophilic character of CHO. LAs not only strongly accelerate the AE reactions, but also modify the molecular mechanisms, changing them from a non-concerted two-stage one-step mechanism to a two-step one. Topological analyses of the electron density at the transition state structures (TSs) indicate that while the formation of the new C-C single bond has begun, the departure of the hydrogen has not yet started. A Relative Interacting Atomic Energy (RIAE) analysis of the activation energies allows the establishment of the electronic effects of LAs on the AE reactions. LAs increase the global electron density transfer (GEDT) occurring in polar AE reactions; this phenomenon markedly stabilizes the CHO framework at the TSs, decreasing the RIAE relative energies. Full article

Textile industries release dyes into wastewater, and when present above certain levels, these dyes pose serious risks because of their high toxicity. This study investigates the removal of Sunset Yellow (SY) and Methylene Violet (MV) dyes from wastewater using chitosan (CS) and polysilicate acid (pSi) in the structure of aluminum-based coagulants, resulting in hybrid formulations (CS@Al, Al/pSi, and CS@Al/pSi). Among the various treatment methods that have been applied for the removal of dyes, the coagulation/flocculation process was chosen in the present study, as it is a cheap and effective method. Coagulation performance was optimized for pH, coagulant dosage, temperature and mixing time. The Al/pSi coagulant achieved nearly complete SY removal (98.8%) at 25 mg/L dosage and pH 3.0. MV removal in single-dye solutions was limited, with Al/pSi achieving only 26.6% removal at pH 3.0. However, in mixed-dye systems (SY/MV), synergistic interactions increased MV removal up to 94.4% and SY removal to 100%. Hybrid CS@Al/pSi showed lower SY removal (36.4%) for SY at 50 mg/L but provided stable floc formation, particularly in mixtures of anionic and cationic dyes. Application to real textile wastewater confirmed the high efficiency of the optimized coagulants, particularly with Al/pSi_20,A and AlCl₃, indicating their potential for industrial wastewater treatment. SEM, EDS, XRD, and FTIR analyses revealed structural consolidation, increased surface area, and successful dye adsorption, explaining the high removal efficiency. Full article

On acid soils, aluminum (Al³⁺) is typically toxic to plants, though certain species like Pogostemon cablin (patchouli) show growth stimulation. This study reveals that Al functions as a root development stimulant in patchouli under acidic conditions. Treatment with 1.0 mM AlCl₃ for 34 days significantly enhanced root architecture, increasing total root length by 172.12% and root dry weight by 161.75%, without affecting shoot biomass. Structural analysis showed Al accumulation in root tip meristems and lateral root primordia, triggering a 103.77% increase in meristem activity and a 111.9% promotion of cell elongation. Physiological assays showed that Al treatment reduced H₂O₂ and malondialdehyde (MDA) levels by 49.2% and 67.6%, respectively, while boosting glutathione (GSH) content by 187.5%, thereby mitigating oxidative membrane damage mainly through the non-enzymatic antioxidant system. Moreover, Al deprivation impaired lateral root elongation, highlighting its functional importance. Gene expression profiling further indicated that Al regulated pathways related to cell proliferation, cell wall remodeling, and lateral root development. Taken together, our findings uncover a novel mechanism by which Al, traditionally regarded as toxic, acts as a stimulator of root development in patchouli, providing new insights into the molecular networks underlying plant abiotic stress responses. Full article

Al-SiC composite coatings were successfully fabricated through the process of electrodeposition utilizing an AlCl₃-LiAlH₄-benzene-THF system. This method allows for the incorporation of silicon carbide (SiC) particles into the aluminum matrix, enhancing the coating’s properties. The study examined various factors that influence the coating characteristics, including current density, temperature, and the quantity of SiC particles added to the formula. The findings revealed that these parameters significantly affect the resulting surface morphology, corrosion resistance, and hardness of the Al-SiC composite coatings. Specifically, the analysis demonstrated that the Al-SiC composite coating produced optimal surface morphology, which is crucial for its performance and durability in various applications. when the current density is 50 mA/cm², the bath temperature is at 30 °C, and the addition amount of SiC particles is optimized to 40 g/L. Combined with electrochemical experimental data, the corrosion resistance of the composite coating prepared under this condition was significantly improved. The results of scanning electron microscopy showed that the surface of the composite coating prepared under this process parameter was uniform and dense, without obvious holes and cracks, and the SiC particles were uniformly distributed in the coating with high density. Through the hardness test of composite coatings with different SiC particle contents, it was found that in the research interval, when the SiC particle content was less than 3 wt%, the hardness of the coating changed relatively slowly. As the amount of SiC particles surpassed 4 wt%, there was a notable increase in hardness. At a SiC concentration of 5%, the coating exhibited a hardness level of 152.1 HV. Full article