Search Results (7,433)

Traditional polysaccharide extraction suffers from low efficiency and high energy consumption, while deep eutectic solvents (DESs) are promising sustainable solvents. This study used DES ChCl-LA (1:2) with ultrasonic assistance to extract polysaccharides from red alga A.taxiformis. Optimized via single-factor experiments and response surface methodology (350 W, 1:30 g/mL, 75 °C), the yield reached 11.28% ± 0.50% (1.5 times higher than that obtained by water extraction). Structural characterization revealed that the DES extract was an acidic polysaccharide, mainly composed of galactose (89.2%), glucose (4.9%), xylose (4.9%), and glucuronic acid (1.0%), with a weight-average molecular weight of 99.88 kDa. Density functional theory and molecular dynamics simulations showed that ChCl-LA enhanced galactose solubility via stronger hydrogen bonding (−25.33 vs. −5.06 kcal/mol for water). Notably, the immunological activity of the DES-extracted polysaccharide was significantly compromised compared to the water-extracted counterpart (p < 0.05). At a concentration of 0.25 mg/mL, the water-extracted polysaccharide-treated group exhibited a 33.98% higher neutral red phagocytosis rate in macrophages, a nitric oxide (NO) secretion level of 34.14 μmol/L (94.98% higher) compared with the DES-extracted polysaccharide group, as well as significantly higher secretion levels of tumor necrosis factor-α (TNF-α) and interleukin-6 (IL-6). The observed disparity in bioactivity is likely due to the distinct chemical profiles resulting from the two extraction methods, including the significantly reduced molecular weight and potential alterations of sulfation degree, monosaccharide composition, and protein content in the DES-extracted polysaccharide. This mechanistic perspective is supported by the relevant literature on the structure–activity relationships of polysaccharides. This study demonstrates the potential of ChCl-LA and elucidates the complex effects of extraction methods on polysaccharide’s structure and function, thereby informing the high-value utilization of A. taxiformis in functional foods. Full article

Microorganisms live in a wide range of environments, performing diverse roles either independently or in association with other organisms forming consortia. This study is focused on those with the ability to bioremediate environments contaminated with petroleum hydrocarbons (PHCs), that is, the case of bacteria, fungi, algae, and consortia. PHC contamination constitutes a major global environmental issue, and presents a serious ecological risk. This research was conducted in the coastal waters of Haina Port (Dominican Republic) and the main objective was to characterise the bacterial communities with bioremediation capacity by sequencing the 16S rRNA. The samples were collected in sterile conditions, and physicochemical and molecular analyses were conducted. The results revealed the composition and distribution of bacterial communities in the area. At the phylum level, Proteobacteria is the dominant group, accounting for 70–90% of the community. At the class level, Gammaproteobacteria is the predominant group, followed by Alphaproteobacteria which ranks second in relative abundance. Bacillaceae appears as the most abundant family at most points. This 16S rRNA survey provides a taxonomic baseline of the microbial community, identifying taxa with documented degradative potential. Future functional analyses and culture studies are required to quantify and confirm the active metabolic pathways of the detected microorganisms. Full article

The interaction between water and metallic interfaces is crucial in many fields, and accurate modeling requires good parametrizations using reference data. In classical molecular dynamics (MD), an important part of this interaction is described using the Lennard–Jones (LJ) potential. However, previously reported LJ parameters are not always optimal for capturing the metal/water interactions observed in ab initio descriptions such as density functional theory (DFT). Therefore, well-tailored LJ parameters are necessary to improve the description of water structuring metals in classical MD. The usual route for obtaining LJ parameters involves energetic analysis, where the energies of various structures are obtained via DFT calculations and then matched with the energies obtained using the LJ potentials by varying the sigma/epsilon parameters. Here, we show a different approach to fit LJ parameters for metal/water interactions, based on structural analysis. We report several classical MD simulations for gold/water, varying the sigma/epsilon parameters, comparing the resulting water structuring with that obtained using DFT. Additionally, we test these parameters in quantum mechanics/molecular mechanics (QM/MM) MD simulations, where electrostatic interactions are enabled. Our results demonstrate that the proposed approach can improve the LJ parameters reported in the literature and potentially develop parameters for more complex systems where the water structure above metallic surfaces plays a significant role. Finally, within this proposed approach, the water density profile obtained in hybrid QM/MM calculations, where water is treated as MM at a substantially reduced cost, closely matches the description it would have if treated as QM. Full article

This study aims to investigate the influencing factors and mechanisms of barium sulfate (BaSO₄) scaling under low-permeability reservoir conditions, providing a scientific basis for water quality selection during water injection. The effects of key scaling ions and flow conditions on scaling behavior were examined through integrated experimental core flooding tests and molecular dynamics (MD) simulations. Experiments were conducted using synthetic cores simulating the ultra-low permeability Chang-8 Reservoir of the Jiyuan Oilfield, analyzing the impact of ion concentrations (Ba²⁺, SO₄²⁻, Na⁺, Ca²⁺, HCO₃⁻), flow velocity, and injection pressure. MD simulations were performed based on an interfacial SiO₂(010)–BaSO₄ solution model constructed in Materials Studio to elucidate the micro-mechanisms. Results indicate that increasing concentrations of Ba²⁺ and SO₄²⁻ significantly promote scaling. High Ca²⁺ concentration (>8000 mg/L) inhibits BaSO₄ deposition via competitive adsorption. High Na⁺ concentration (>70,000 mg/L) reduces Ba²⁺ activity due to ionic strength effects. When HCO₃⁻ concentration exceeds 600 mg/L, CaCO₃ coprecipitation occurs, reducing effective SO₄²⁻ concentration and thus inhibiting BaSO₄ scaling. Increased flow velocity enhances scaling, whereas elevated injection pressure suppresses deposition. MD simulations reveal that increased ion concentrations decrease the mean square displacement (MSD) of Ba²⁺ and SO₄²⁻, weakening diffusion and enhancing scaling tendency. Elevated temperature promotes ion diffusion and inhibits scaling, while pressure shows negligible effect on ion diffusion at the molecular scale. This study provides theoretical insights for scaling prevention in low-permeability sandstone reservoirs. Full article

An innovative dispersive liquid–liquid microextraction technique utilizing a solid dispersion was established for the quantification of triazine herbicides in environmental water samples. Naturally derived monoterpenoids were utilized as eco-friendly extraction solvents, markedly decreasing the reliance on harmful extraction solvents. A small amount of Pop Rocks candy served as a solid dispersant; the rapid release of carbon dioxide promoted the generation of fine monoterpenoid droplets, effectively replacing conventional hazardous liquid dispersants. The solidification technique of floating organic droplets facilitated the effective phase separation of monoterpenoids from aqueous samples, thereby obviating the need for centrifugation. Triazine herbicides exhibited good linearity within the concentration range of 0.008–0.8 mg/L with correlation coefficients above 0.99 and detection limits of 0.002 mg/L. The proposed method was effectively implemented on surface and groundwater samples, attaining recoveries between 86.4% and 98.0%. Molecular docking analysis suggests a spontaneous binding between the monoterpenoid and triazine herbicides. A comprehensive green assessment utilizing two evaluation tools confirmed the excellent environmental performance of the method. This technique offers superior greenness and simplicity compared with conventional techniques, demonstrating strong potential for application in the environmental analysis of pesticide residues. Full article

Solar-driven hydrogen production via photocatalytic water splitting represents a promising route toward sustainable and low-carbon energy systems. Among emerging photocatalysts, porphyrin-based framework materials, specifically porphyrinic metal–organic frameworks (PMOFs) and porphyrinic covalent organic frameworks (PCOFs), have attracted increasing attention owing to their strong visible-light absorption, tunable electronic structures, permanent porosity, and well-defined catalytic architectures. In these systems, porphyrins function as versatile photosensitizers whose photophysical properties can be precisely tailored through metalation, peripheral functionalization, and integration into ordered frameworks. This review provides a comprehensive, design-oriented overview of recent advances in PMOFs, PCOFs, and hybrid porphyrinic architectures for photocatalytic H₂ evolution. We discuss key structure–activity relationships governing light harvesting, charge separation, and hydrogen evolution kinetics, with particular emphasis on the roles of porphyrin metal centers, secondary building units, linker functionalization, framework morphology, and cocatalyst integration. Furthermore, we highlight how heterojunction engineering through coupling porphyrinic frameworks with inorganic semiconductors, metal sulfides, or single-atom catalytic sites can overcome intrinsic limitations related to charge recombination and limited spectral response. Current challenges, including long-term stability, reliance on noble metals, and scalability, are critically assessed. Finally, future perspectives are outlined, emphasizing rational molecular design, earth-abundant catalytic motifs, advanced hybrid architectures, and data-driven approaches as key directions for translating porphyrinic frameworks into practical photocatalytic hydrogen-generation technologies. Full article

Proteins from the bran of Khao Dawk Mali 105 rice at two maturity stages, green (GB) and fully ripe (RB), were extracted using single and sequential enzyme-assisted processes. Non-enzymatic extraction (control), α-amylase (AA), protease (PT), and two sequential treatments (AA-PT and PT-AA) were applied to defatted bran to evaluate their effects on protein yield, structural attributes, and functional properties. Protease-based extractions, particularly PT, produced the highest protein contents (28% in GB and 23% in RB) and significantly improved solubility, water- and oil-holding capacities, and foaming performance. GB extracts consistently outperformed RB across all functional and antioxidant measurements, indicating greater extractability and bioactive potential in green rice bran. Enzymatic hydrolysis also enhanced phenolic and flavonoid release, leading to markedly higher DPPH and FRAP activities. SDS-PAGE profiles demonstrated reduced band complexity and lower-molecular-weight protein in enzymatically treated samples, while FTIR spectra confirmed secondary structural modifications associated with hydrolysis. Overall, protease and sequential assisted extractions provide an efficient and sustainable approach to improving rice bran protein recovery and functionality. These findings highlight green rice bran as a promising source of high-value plant proteins for food and nutraceutical applications. Full article

Aging is accompanied by progressive gastrointestinal structural and functional decline, increased intestinal permeability, dysbiosis, and impaired mucosal immunity, collectively elevating susceptibility to infections, chronic inflammation, and multimorbidity. These age-related changes are further exacerbated by polypharmacy, metabolic disorders, and lifestyle factors, positioning the gastrointestinal tract as a central driver of systemic physiological decline. Gut-centered interventions have emerged as critical strategies to mitigate these vulnerabilities and support healthy aging. Dietary modulation, prebiotic and probiotic supplementation, and microbiota-targeted approaches have demonstrated efficacy in improving gut microbial diversity, enhancing short-chain fatty acid production, restoring epithelial integrity, and modulating immune signaling in older adults. Beyond nutritional strategies, non-nutritional interventions such as molecular hydrogen and medical ozone offer complementary mechanisms by selectively neutralizing reactive oxygen species, reducing pro-inflammatory signaling, modulating gut microbiota, and promoting mucosal repair. Hydrogen-based therapies, administered via hydrogen-rich water or inhalation, confer antioxidant, anti-inflammatory, and cytoprotective effects, while ozone therapy exhibits broad-spectrum antimicrobial activity, enhances tissue oxygenation, and stimulates epithelial and vascular repair. Economic considerations further differentiate these modalities, with hydrogenated water positioned as a premium wellness product and ozonated water representing a cost-effective, scalable option for geriatric gastrointestinal care. Although preclinical and early clinical studies are promising, evidence in older adults remains limited, emphasizing the need for well-designed, age-specific trials to establish safety, dosing, and efficacy. Integrating dietary, microbiota-targeted, and emerging non-nutritional gut-centered interventions offers a multimodal framework to preserve gut integrity, immune competence, and functional health, potentially mitigating age-related decline and supporting overall health span in older populations. Full article

Drought stress is a major abiotic factor limiting global crop productivity by disrupting cellular homeostasis, impairing photosynthesis, and restricting metabolic activity. Plant-associated microorganisms, including rhizobacteria, endophytes, and arbuscular mycorrhizal fungi, play key roles in enhancing drought resilience through molecular, biochemical, and physiological mechanisms. These beneficial microbes modulate phytohormone biosynthesis, enhance osmolyte accumulation, increase organic acid exudation, and activate ROS-scavenging antioxidant pathways. Microbe-mediated regulation of aquaporins, heat shock proteins, and root system architecture further improves water-use efficiency, hydraulic conductance, and stress acclimation. Advances in microbial genomics and systems biology have revealed the molecular drivers of plant–microbe synergism, enabling the development of tailored microbial consortia and next-generation bioinoculants. Complementarily, genetic and genome-guided modulation of drought-responsive regulatory hubs including transcription factors (DREB, NAC, MYB, bZIP), signal transducers (MAPKs, CDPKs), and protective proteins enhances adaptive plasticity under water deficit conditions. This review integrates current molecular insights into drought-induced perturbations in plants and highlights the convergence of microbial interventions and genome-guided strategies in reinforcing drought tolerance. Emphasizing mechanistic frameworks, scalable microbial technologies, and molecular breeding approaches, this work underscores their potential to improve crop resilience in increasingly water-limited environments. Full article

Laryngopharyngeal reflux disease (LPRD) results from the retrograde flow of gastric contents into the upper aerodigestive tract, causing epithelial injury. Progress in its management has been limited by the lack of objective biomarkers and reproducible in vivo models. This study aimed to establish a chronic, non-surgical mouse model of LPRD and to investigate the protective effect of N-acetylcysteine (NAC). Female C57BL/6 mice were randomly assigned to three groups: control (standard drinking water), study (acidified water, pH 3.0, for 12 weeks), and treatment (acidified water for 12 weeks plus NAC supplementation during the final 4 weeks). Body weight, food intake, and water consumption were monitored weekly. Pharyngeal tissues were analyzed by immunohistochemistry and Western blotting. Chronic acid exposure resulted in loss of membrane-localized E-cadherin, cytoplasmic redistribution, and upregulation of matrix metalloproteinase-7 (MMP-7). These molecular alterations were accompanied by enhanced phosphorylation of ERK and c-Jun, consistent with activation of the ROS–ERK–c-Jun signaling pathway. NAC supplementation was associated with partial restoration of E-cadherin, reduced MMP-7 expression, and attenuation of ERK/c-Jun phosphorylation. No systemic toxicity or weight loss was observed, indicating good tolerability of the model. This non-surgical ingestion-based model faithfully recapitulates key epithelial features of LPRD and provides a feasible platform for mechanistic investigation and exploratory therapeutic studies. NAC may exert protective effects against acid-induced epithelial injury in this model. Full article

Studying the origin of life requires identifying chemical and physical processes that could have supported early self-replicating and evolving molecular systems. Besides the requirement of information storage and transfer, an essential aspect is an energy source that could have thermodynamically driven the formation and replication of these molecular assemblies. Chemical energy sources such as cyclic trimetaphosphate are attractive because they could drive replication with relatively simple catalysts. Here, we focus on cyclic trimetaphosphate (cTmp), and compare its solubility in water to linear triphosphate, pyrophosphate, and phosphite when Mg²⁺ or Ca²⁺ are present. These solubilities are important for facilitating the reactions under prebiotically plausible conditions. The results showed that cTmp was soluble even at molar concentrations of Mg²⁺ and little precipitation with 200 mM Ca²⁺. In contrast, pyrophosphate and linear triphosphate precipitated efficiently even at low divalent metal ion concentrations. The precipitation of phosphate was pH-dependent, showing similar precipitation with Mg²⁺ and Ca²⁺ at a prebiotically plausible pH of 6.5. Phosphite was soluble at high Mg²⁺ concentrations but started precipitating with increasing Ca²⁺ concentration. At conditions that model Archaean seawater, cTmp was the most soluble of these compounds. Together, this experimental overview may help to identify promising conditions for lab-based investigations of phosphate-based energy metabolisms in early life forms. Full article

This study builds on previous research into the surface modification of beech wood with polyethyleneimine (PEI) prior to finishing it with a waterborne coating. Poly(diallyldimethylammonium chloride) (PDADMAC) is introduced as an alternative cationic polyelectrolyte for the pretreatment of beech wood surfaces. Wood samples were treated with aqueous 1% PDADMAC solutions of low (LMW—8000 g mol⁻¹) and high (HMW—100,000–200,000 g mol⁻¹) molecular weights, with or without NaCl addition. The effects of the treatments on wood surface chemistry, wettability, surface energy, water absorption, coating penetration, coating adhesion strength, and surface roughness of coated wood were analysed using FTIR, fluorescence microscopy, SEM/EDS, and standardised tests commonly used in wood surface finishing. The results showed that polyelectrolyte pretreatment modified the surface properties of wood, reducing water absorption and surface roughness without significantly affecting coating adhesion strength. PDADMAC formed a more uniform surface layer of wood with limited coating penetration, and NaCl addition improved wood surface smoothness (reducing surface roughness parameters of coated wood by 23%–29%, in samples treated with PDADMAC LMW with 0.01 M NaCl). These findings confirm that cationic polyelectrolyte pretreatment enhances the compatibility and performance of waterborne coatings, offering an environmentally friendly approach to improving wood–waterborne coating interactions. Full article

Waterborne polyurethane (WPU) and waterborne poly(urethane-urea) (WPUU) dispersions allow safer and more sustainable manufacturing of rechargeable batteries via water-based processing, while offering tunable adhesion and segmented-domain mechanics. Beyond conventional roles as binders and coatings, WPU/WPUU chemistries also support separator/interlayer and polymer-electrolyte designs for lithium-ion and lithium metal systems, where interfacial integrity, stress accommodation, and ion transport must be balanced. Here, we review WPU/WPUU fundamentals (building blocks, dispersion stabilization, morphology, and film formation) and review prior studies through a battery-centric structure–processing–property lens. We point out key performance-limiting trade-offs—adhesion versus electrolyte uptake and ionic conductivity versus storage modulus—and relate them to practical formulation variables, including soft-/hard-segment selection, ionic center/counterion design, molecular weight/topology control, and crosslinking strategies. Applications are reviewed for (i) electrode binders (graphite/Si; cathodes such as LFP and NMC), (ii) separator coatings and functional interlayers, and (iii) gel/solid polymer electrolytes and hybrid composites, with a focus on practical design guidelines for navigating these trade-offs. Future advancements in WPU/WPUU chemistries will depend on developing stable, low-impedance interlayers, enhancing electrochemical behavior, and establishing application-specific design guidelines to optimize performance in lithium metal batteries (LMB). Full article

Furfural extraction oil (FEO) is rich in polycyclic aromatic hydrocarbons (PAHs) and is hard to convert under mild conditions. To address this upgrade challenge, this study proposed a co-aquathermolysis process with corn stalk and a Ni/Mo hydrofining catalyst. Key parameters, including reaction temperature, time, catalyst dosage, and corn stalk dosage, were systematically evaluated for their impact on upgrade performance. Under optimized conditions (oil-to-water mass ratio 2:1, 280 °C, 18 h, 8 wt% catalyst, 8 wt% corn stalk), a viscosity reduction rate of 19.96% was achieved, significantly exceeding the 12.69% rate obtained without corn stalk. Meanwhile, the average molecular weight decreased from 430.0 to 353.3 g·mol⁻¹ and the aromatic ring index declined from 3.049 to 2.593. The H/C ratio increased to 1.568, and the sulfur content decreased to 0.09210%. ¹H NMR analysis revealed that corn stalk promotes long-chain scission and inhibits aromatic condensation, leading to a reduced aromatic carbon fraction. A detailed hydrocarbon composition analysis corroborated the conversion of tricyclic and tetracyclic aromatic hydrocarbons to monocyclic and bicyclic aromatic hydrocarbons. These findings offer valuable insights for the modification of FEO via aquathermolysis and establish biomass utilization as a practical strategy for FEO upgrades. Full article

Understanding mechanisms of asphalt in the process of natural aging is crucial for predicting its long-term durability and optimizing performance under diverse environmental conditions. Despite its importance, the microstructural and micromechanical changes induced by natural aging remain poorly understood, particularly under varying climatic influences. This study addresses this gap by analyzing the effects of natural aging on asphalt’s microscopic properties and identifying key indicators that govern its degradation. Asphalt samples were subjected to natural aging across five climatically distinct regions over 6, 12, and 18 months. Atomic force microscopy (AFM) was employed to characterize surface roughness, adhesion forces, and DMT modulus, while correlation analysis and principal component analysis (PCA) were used to identify relationships among micromechanical indicators and streamline the dataset. The results reveal that natural aging induces irreversible transformations in asphalt’s microstructure, driven by the combined effects of temperature, UV radiation, humidity, and oxygen. These processes promote the evolution of “Bee structures,” increase surface roughness, and accelerate phase separation, alongside chemical modifications such as oxidation and polymerization, leading to progressive material hardening and stiffness. Significant regional and temporal variations in adhesion forces and DMT modulus were observed, reflecting the cumulative impact of environmental factors on asphalt’s aging dynamics. Correlation analysis demonstrated strong associations between surface roughness and “Bee structure” area, while mechanical properties such as stiffness and adhesion were largely decoupled from morphological features. Environmental factors interact in complex ways to drive asphalt aging. Humidity enhances adhesion and stiffness via water-induced capillary forces, while temperature reduces surface roughness and adhesion through molecular reorganization. UV radiation accelerates oxidative degradation, promoting surface erosion and stiffness loss, while altitude modulates these dynamics by influencing temperature and UV exposure. Full article