Search Results (802)

Ginger is a common spice found in many cuisines all over the world that is from the rhizome of Zingiber officinale. Additionally, it has been used in traditional medicinal practices as an aid in many ailments ranging from nausea to muscle pain. The non-volatile compounds of ginger, including zingerone, are responsible for pungency and they have widespread biomedical activities. The crystal structure of zingerone, a 6-gingerol degradation product and phenolic compound, reveals that the C4 hydroxyl group is the fulcrum for strong intermolecular interactions such as (O1-H2…O3) 2.737(2) Å. Our electrochemical results using rotating ring-disk electrode (RRDE) hydrodynamic voltammetry demonstrate that zingerone is an effective scavenger of superoxide radical anions and that zingerone, unlike powdered ginger, is a strong antioxidant with a collection efficiency slope of −6.5 × 10⁴ M⁻¹. The addition of vitamin C enhances scavenging activity for both zingerone and ginger powder, although the effect is more noticeable with zingerone. Correspondingly, the zingerone/vitamin C efficiency slope value is −5.40 × 10⁵ M⁻¹. Density Functional Theory (DFT) calculations permit the development of a plausible antioxidant mechanism for zingerone, and zingerone synergistic action with vitamin C, in which zingerone is capable of being regenerated with the assistance of protons that may be provided by ascorbic acid. This mechanism demonstrates that zingerone acts as a strong antioxidant agent by virtue of its C4 hydroxyl group and aromatic system. The scavenging chemical reaction is the same as that obtained through the dismutation of superoxide by superoxide dismutase (SOD) enzymes into hydrogen peroxide and molecular oxygen. Thus, zingerone behaves as a SOD mimic. Full article

This study presents the synthesis of a new chitosan (CS) derivative incorporating eugenol (EU), a natural compound known for its strong antioxidant properties, with the aim of comparing its properties to those of the previously described thiazolium-chitosan derivative (CS-MTBAQ), employed as antimicrobial component. The functionalization was achieved through a thiol-ene reaction, enabling the covalent bonding of EU and thiol modified chitosan (CS-SH). After detailed characterization of the resulting derivative (CS-SH-EU), a comparative analysis of its antioxidant activities was conducted, revealing that CS-SH-EU films exhibited 25% higher antioxidant efficiency compared to those with CS modified with MTBAQ. Both derivatives were incorporated into chitosan-based films at 10 wt%, which were further reinforced with chitin nanowhiskers at two concentrations, 1 and 5 wt%. The antioxidant, mechanical and structural properties of these films were extensively evaluated as well as the yellowness index and water vapor transmission. The inclusion of these derivatives containing eugenol and thiazolium groups and the chitin nanowhiskers enhanced the mechanical performance, water barrier properties, and antioxidant activity maintained the visual appearance. The formulation applied as coating on strawberries was able to extend their self-life by creating an effective barrier. The findings evidence that the obtained films present a promising alternative for developing active packaging materials, combining enhanced antioxidant efficiency with excellent mechanical and biodegradable properties. Full article

Background/Objectives: The prison environment presents a unique context for examining the impact of addiction on physical and psychological functioning. Individuals with substance use disorders (SUDs) are overrepresented in correctional facilities and often experience greater emotional difficulties and impaired physical capacity. This study aimed to conduct a comparative analysis of psychological and functional profiles between addicted and non-addicted male inmates in a semi-open correctional facility. Methods: The study included 47 male prisoners (19 addicted, 28 non-addicted). Physical performance was assessed using the Countermovement Jump (CMJ), handgrip strength, the Functional Movement Screen (FMS), and the FitLight reaction time test. Psychological functioning was evaluated using six standardized questionnaires: problem-focused, emotion-focused, and avoidant coping strategies, depression (PHQ-9), perceived stress (PSS-10), and self-compassion (SCS). Results: No statistically significant differences (p > 0.05) were found between addicted and non-addicted inmates in physical performance parameters. Addicted individuals demonstrated slightly higher handgrip strength with lower variability, while non-addicted inmates showed slightly better lower-body power in the CMJ test. Functional movement quality and reaction speed were similar between groups. Psychological assessments also revealed no significant differences between the groups. Coping styles, depressive symptoms, perceived stress levels, and self-criticism scores were comparable in both populations. In the addicted group, deeper squats correlated with lower stress (rho = −0.46, p = 0.047), and better hurdle step performance correlated with emotion-focused coping (rho = 0.46, p = 0.048). Conclusions: Although no statistically significant differences were found between addicted and non-addicted male inmates in the assessed physical and psychological outcomes, the limited sample size and context-specific nature of this pilot study suggest that these findings should be viewed as preliminary and interpreted with caution. Nonetheless, the observed associations between physical performance and psychological variables indicate subtle interconnections between motor capacity, stress perception, and coping mechanisms that merit further investigation in larger, longitudinal studies. Full article

Bioabsorbable scaffolds from synthetic polyesters are widely used in the field of tissue engineering. However, their hydrophobic surface and lack of suitable functional groups are the main limitations related to cell attachment. The aim of this research was to modify the surface of polycaprolactone (PCL) scaffolds using a bioactive coating containing heparin bound via albumin spacer and platelet lysate over heparin. Porous scaffolds were produced by electrospinning from 10% PCL (w/w) solution in methylene chloride (25 kV voltage, 100 mm distance between electrodes and 4 mL/h feedrate), which demonstrated 5.5 ± 1.1 MPa Young’s modulus, 2.5 ± 0.4 MPa tensile strength and 321 ± 29% elongation at break. Bioactive coating does not change the structure and mechanical properties of the scaffolds. Treated scaffolds are biocompatible and have no cytotoxic effect in direct contact with cells. Functionalization also promotes the in vitro adhesion and proliferation of human adipose mesenchymal stromal cells. After 7 days of incubation, the PCL scaffold modified with the heparin–platelet lysate complex had a cell density of 185.6 ± 15.7 cells/mm² compared to 79.5 ± 7.8 cells/mm² for nontreated control. The intramuscular implantation of scaffolds revealed that immobilization of heparin alone prolongs the acute phase of the inflammatory reaction. However, subsequent treatment with platelet lysate minimizes the inflammatory reaction, slows the rate of implant absorption, and accelerates vascularization. The results obtained show that the developed bioactive coating improves the cellular properties of PCL electrospun scaffolds and can be used to form in vivo tissue-engineered constructs. Full article

A versatile, sustainable feedstock pathway to bio-based polymeric materials was developed utilizing lignin biomass and the ring-opening copolymerization (ROCOP) of cyclic anhydrides and epoxides to synthesize functional, lignin-derived, fully bio-based polyester polyols. The initial goal was to make the ROCOP reaction more applicable to bio-derived starting materials and more attractive to commercialization by conducting the polymerization under less constrained and industrially relevant conditions in air and without the extensive purification of reagents, catalysts, or solvents, typically used in the literature. A refined ROCOP system was applied as a powerful tool in lignin valorization by successfully synthesizing the lignin-derived copolyester prepolymers from lignin models and depolymerized native lignin sourced from the reductive catalytic fractionation of Pinus radiata wood biomass. After mechanistic studies based on NMR characterization, an alternative ROCOP-style mechanism was proposed. This was found to be (1) contributing to the acceleration of the observed reaction rates with added [PPNCl] organo-catalyst and (2) ‘self-initiation/self-promoted’ ROCOP without any added external [PPNCl] catalyst, likely due to the presence of inherent [OH] groups/ species in the lignin-derived glycidyl ether monomer promoting reactivity. As a final goal, the potential of these lignin-derived polyesters as intermediate polyols was demonstrated by applying them in the synthesis of polyurethane (PU) film materials with a high biomass content of 75–79%. A dramatic range of thermomechanical properties was observed for the resulting materials, demonstrating how the ROCOP reaction can be used to tailor the properties of the functional polyester and PU material based on the nature of the epoxide and anhydride substrates used. These findings help endeavors towards predicting the relationship between chemical structure and material thermomechanical properties and performance, relevant for industrial applications. Overall, this study demonstrated the proof of concept that PU materials can be prepared from lignocellulosic biomass utilizing industrially feasible ROCOP of bio-derived cyclic anhydrides and epoxides. Full article

The rapid development of the silicon industry has led to the massive production of silica fume (SF), while its improper disposal poses environmental risks and represents a waste of resources. Unlike conventional methods that require dissolution and high-pressure treatment, this study pioneers a low-cost direct-functionalization strategy that preserves the inherent microsphere structure of SF, using calcination for carbon removal and activation for surface hydroxylation. The activated SF was synthesized into TACA-APTES-SF by reacting with 3-aminopropylethoxysilane (APTES) and 1,3-Thiazole-2-carbaldehyde (TACA). SEM, FT-IR, and XPS were used to characterize these samples, revealing amino groups and sulfur groups grafted onto the SF surface successfully. The adsorbent demonstrated highly effective adsorption of Cd²⁺ ions. Throughout five reuse cycles, TACA-APTES-SF maintained a high removal efficiency for Cd²⁺ in aqueous solution. The adsorption kinetics confirmed to the pseudo-second-order model, while the adsorption isotherm results aligned with the Langmuir model, which collectively suggests that the adsorption process was chemical and monolayer in nature. Comparative XPS and FT-IR analyses of TACA-APTES-SF and TACA-APTES-SF-Cd indicated that adsorption mechanisms involved electrostatic and coordination reactions between hydroxyl-, amino-, and sulfur-containing groups and Cd²⁺ ions. This study therefore proposes a straightforward and cost-effective approach for the high-value utilization of SF. Full article

The substantial ring strain and activated double bonds render methylenecyclopropanes (MCPs) potential substrates for Diels–Alder (DA) reactions. In this work, we present a thermally induced intramolecular Diels–Alder (IMDA) reaction utilizing furan-tethered MCPs. The reactions were carried out smoothly with respect to a wide variety of substrates with good functional group compatibility, affording the desired products in moderate to excellent yields. The synthetic utility of these products was successfully demonstrated. Mechanistic studies involving radical scavenger control experiments and density functional theory (DFT) calculations revealed a concerted mechanism involving an asynchronous one-step pathway. Full article

To address critical limitations of ultra-low viscosity supercritical CO₂ fracturing fluids, including excessive fluid loss and inadequate proppant transport capacity, a series of thickeners designed to significantly enhance CO₂ viscosity were synthesized. Initially, FT-IR and ¹H NMR characterization confirmed successful chemical reactions and incorporation of both solvation-enhancing and -thickening functional groups. Subsequently, dissolution and thickening performance were evaluated using a custom-designed high-pressure vessel featuring visual observation capability, in-line viscosity monitoring, and high-temperature operation. All thickener systems exhibited excellent solubility, with 5 wt% loading elevating CO₂ viscosity to 3.68 mPa·s. Ultimately, molecular simulations performed in Materials Studio elucidated the mechanistic basis, electrostatic potential (ESP) mapping, cohesive energy density analysis, intermolecular interaction energy, and radial distribution function comparisons. These computational approaches revealed dissolution and thickening mechanisms of polymeric thickeners in CO₂. Full article

Reperfusion therapy uses thrombolysis and clot removal to restore blood flow in the brain after stroke; however, three months after reperfusion therapy, roughly 46% of stroke patients become independent again. MiRNAs (micro RNA) regulate cerebral ischemia/reperfusion injury, and their transfer between cells via exosomes may differentially affect recipient cells. We examined serum exosomal miRNA levels, stroke treatments, and functional outcomes in stroke patients, and we explored the potential role of estimated differentially expressed miRNA (DEmiRNA) target genes in the brain’s reaction to reperfusion after ischemia. The patients in the study received aspirin or reperfusion therapy with either intravenous thrombolysis (rt-PA), mechanical thrombectomy (MT), or a combination of both (rt-PA/MT). Serum samples were collected from stroke patients on days 1 and 10 post-stroke. Serum exosomes’ miRNA was analyzed using qRT-PCR. We identified DEmiRNAs, estimated their targets, and performed enrichment analysis. Functional outcomes were assessed using the modified Rankin Scale (mRS) on days 10 and 90 post-stroke. Among studied treatments, only rt-PA/MT lowered DEmiRNA by day 10 vs. other groups. Specifically, patients with unfavorable mRS score exhibited decreased levels of miR-17, miR-20, miR-186 and miR-222 after combined stroke therapy. Functional analysis identified target genes and pathways associated with cytoskeleton remodeling, cell death, autophagy, inflammation, and dementia. In conclusion, unfavorable stroke outcomes following poor rt-PA/MT response could result from lower miRNA expression levels, thus activating cell death and neurodegenerative processes in brain. Full article

This study systematically explores the mechanisms and application potential of biochar in remediating heavy metal-contaminated soils. Particular emphasis is placed on the role of raw materials and pyrolysis conditions in modulating key physicochemical properties of biochar, including its aromatic structure, porosity, cation exchange capacity, and ash content, which collectively enhance heavy metal immobilization. The direct remediation mechanisms are categorized into six pathways: physical adsorption, electrostatic interactions, precipitation, ion exchange, organic functional group complexation, and redox reactions, with particular emphasis on the reduction in toxic Cr⁶⁺ and the oxidation of mobile As³⁺. In addition to direct interactions, biochar indirectly facilitates remediation by enhancing soil carbon sequestration, improving soil physicochemical characteristics, stimulating microbial activity, and promoting plant growth, thereby generating synergistic effects. The study evaluates combined remediation strategies integrating biochar with phytoremediation and microbial remediation, highlighting their enhanced efficiency. Moreover, practical challenges related to the long-term stability, ecological risks, and economic feasibility in field applications are critically analyzed. By synthesizing recent theoretical advancements and practical findings, this research provides a scientific foundation for optimizing biochar-based soil remediation technologies. Full article

Background: This 2-year longitudinal study was undertaken to investigate the relationship between incidence of knee pain and ground reaction force (GRF) in stepping motion in older adults. Methods: In all, 29 older participants, aged 50 and over (11 males and 18 females; 63.0 ± 6.2 years), presented without knee pain at baseline. The participants performed a 10 s stepping motion at optimal speed on a force plate, and 14 mechanical and temporal parameters of vertical GRF were obtained. Knee pain was evaluated based on subjective complaint during daily activities. The participants were classified into a no pain (NP) group or a knee pain (KP) group. Results: Of the 29 participants (11 males, 18 females), 9 (all female) developed knee pain, representing 31.0% of the total participants and comprising the KP group at the follow-up. We compared the amount of change in the evaluated parameters between the two groups and found moderate effect sizes for the mechanical parameters, ΔMshaped (p = 0.07, d = 0.77) and ΔF2 (p = 0.08, d = 0.72), as well as a flatter change in the bimodal waveform of the GRF in the KP group. Conclusions: It was thus suggested that a flattening of the vertical GRF waveform during stepping motion may indicate early biomechanical changes associated with incident knee pain and that waveform changes in GRF may be useful for early detection of functional decline. Full article

Methylation reactions catalyzed by S-adenosylmethionine (SAM)-dependent methyltransferases are essential to numerous biological functions, including gene expression regulation, epigenetic modifications, and biosynthesis of natural products. Dysregulation of these enzymes is associated with diseases, including cancer and neurodevelopmental disorders, making them attractive drug targets. This review explores the contribution of computational methods, particularly quantum chemical calculations and molecular dynamics (MD) simulations, in elucidating the mechanisms of SAM-dependent methyltransferases. These techniques enable detailed characterization of transition states and reaction pathways, often inaccessible by experimental methods. The review discusses molecular modeling approaches such as the quantum chemical cluster approach (QM-cluster) and hybrid QM/MM methods, emphasizing their applications in studying methyl group transfer, substrate specificity, and the roles of water molecules and metal ions in catalysis. Additionally, dynamic aspects of enzyme function are addressed using classical MD and QM/MM MD simulations. Case studies demonstrate how computational predictions align with experimental data and enable rational design of selective inhibitors and engineered enzymes with altered specificity. Overall, computational chemistry offers a powerful, atomistic view of SAM-dependent methyltransferases, not only complementing experimental studies but also providing a foundation for the design of future experiments in this field. Full article

Electronic devices with polyurethane electronic packaging have been stored in Chinese tropical marine atmosphere environments for 10 years. The long-term natural aging mechanism was studied by comparing the appearance inspection, molecular structure, elemental content, and chemical functional groups of the surface and interior of polyurethane electronic potting. The results indicated that, despite evident chemical aging and physical changes in the encapsulant material, it continued to effectively protect the internal electronic devices, maintaining their performance within an acceptable range. The interior polyurethane potting of electronic devices was white, but the surface turned yellow with noticeable color change. On the surface, the content of tolylene diisocyanate was greatly decreased. The peak heights of the internal carbamate groups located at 1708 cm⁻¹ and 1529 cm⁻¹ were significantly higher than those at the surface. In addition, the internal C element content for the carbamate group at 289.5 eV was higher than that of the surface. It can be inferred that, under ambient temperature and trace oxygen conditions, the urethane groups on the polyurethane electronic potting surface undergo aging reactions. These groups slowly oxidize into the quinoid structure of the chromophore, causing the surface to turn yellow. Despite this discoloration, the potting still protects electronic devices. Therefore, polyurethane electronic potting is ideal for the long-term sealed storage of electronic devices. Full article

Objective: This study aims to explore the mechanism of regulated cell death-related genes in the development of endometrial carcinoma. Methods: Endometrial carcinoma-related datasets were yielded via the Cancer Genome Atlas and Gene Expression Omnibus databases, and regulated cell death-related genes were extracted from the literature. Differential expression analysis, weighted gene co-expression network analysis, and protein interaction analysis were performed to identify critical regulated cell death-related genes. Gene set enrichment analysis was used to identify the functional pathways involved in these critical genes. Afterward, the best clustering approach for tumor samples was yielded via consensus clustering analysis, and nomogram prediction models were built. Shiny Methylation Analysis Resource Tool was used to compare the expression levels of CpG methylation probes for critical genes between tumor and normal samples. Spearman correlation analysis was conducted to investigate the relationship between critical genes and various immune features. Eventually, immuno-infiltrative analysis was implemented, and potential therapeutic agents were screened targeting critical genes. The data were analyzed and visualized by R software using different packages. In addition, the expressions of critical genes were validated by quantitative real-time polymerase chain reaction and immunochemistry. Results: Four critical genes, namely GBP2, SLC11A1, P2RX7, and HCLS1, were identified, and they were involved in various functional pathways such as leukocyte-mediated cytotoxicity. There were substantial differences in CpG methylation in GBP2, SLC11A1, and HCLS1 between tumor and normal samples. As for immune features, all critical genes were positively connected with immunosuppressive factors such as TIGIT and most HLA molecules in endometrial carcinoma. The critical genes high/low expression groups of tumor samples showed different immune responses towards PD-1, PD-L1, and CTLA-4 immunotherapy. The infiltration of 24 immune cells, such as effector memory CD8⁺ T cells, was notably different between tumor and normal samples. Based on sensitivity analysis of chemotherapeutic agents, we found the highest positive correlation between SLC11A1 and “BI.2536” and the strongest passive correlation of HCLS1 and GBP2 with “Ribociclib”, as well as P2RX7 with “BMS.754807”. Quantitative real-time polymerase chain reaction suggested that the expression trends of GBP2, P2RX7, and HCLS1 were consistent with the results of bioinformatic analysis. Conclusions: Regulated cell death-related genes (GBP2, SLC11A1, P2RX7, and HCLS1) may play a role in endometrial carcinoma development, which can provide new ideas for the treatment and prognosis prediction of this disease. Full article

Sunset yellow (SY) is a synthetic azo dye widely used in food and cosmetics. However, concerns have been raised about its potential health risks, including its nephrotoxicity and genotoxicity, when used in excessive amounts. Illegal addition of SY may cause allergic reactions or genetic damage. Therefore, a rapid method for detecting SY is needed. To develop a rapid detection method for sunset yellow (SY) with the aim of preventing its illegal addition in food, this study utilized agricultural waste asparagus peel (AP) as a carbon source and synthesized amino-functionalized carbon quantum dots (AP-CDs) via a green hydrothermal method. A highly sensitive detection platform was established based on the fluorescence quenching mechanism of AP-CDs in the presence of SY. The microstructure of AP-CDs was characterized using transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS). Their optical properties were assessed via ultraviolet–visible absorption spectroscopy (UV-vis) and fluorescence spectroscopy (FS). Furthermore, key experimental parameters affecting SY detection were systematically optimized. Results revealed that the synthesized AP-CDs possessed surface hydrophilic functional groups, including hydroxyl, amide, and carboxyl groups, and were composed of carbon (C), oxygen (O), and nitrogen (N) elements. Optical performance studies demonstrated that AP-CDs exhibited a strong fluorescence emission at 470 nm under 380 nm excitation, with a quantum yield (Φ) of 15.9%. Under the optimized conditions (pH 7.0, 0.5 mg/mL AP-CDs), the fluorescence intensity showed a linear response to the concentration of SY over the range of 0.1 to 100 μM (R² = 0.9929), achieving a detection limit of 0.92 μM. This strategy not only enables sustainable resource utilization but also provides a sensitive and practical approach for food safety monitoring, demonstrating significant potential for real-world applications. Full article