Search Results (2,169)

Recently developed quantitative structure–activity relationship (QSAR) prediction uses machine learning techniques with analytical signals from the full scan of mass spectra as input, and does not need exhaustive structural determination to assess unknown compounds. The QSAR approach assumes that a mass spectral pattern reflects the structure of a target chemical. However, the relationship between the spectrum and structure is complex, and requirement of its interpretation could restrict further development of QSAR prediction methods based on analytical signals. In this study, whether gas chromatography-electron-impact ionization-mass spectrometry (GC-EI-MS) data contain meaningful structural information that assists QSAR prediction was determined by comparing it with the traditional molecular descriptor used in QSAR prediction. Four molecular descriptors were used: ECFP6, topological descriptor in CDK, MACCS key, and PubChem fingerprint. The predictive performance of QSAR based on analytical and molecular descriptors was evaluated in terms of molecular weight, log K_o-w, boiling point, melting point, water solubility, and two oral toxicities in rats and mice. The influential variables were further investigated by comparing analytical-descriptor-based and linear regression models using simple indicators of the mass spectrum. The investigation indicated that the analytical and molecular descriptors preserved structural information differently. However, their performance was comparable. The analytical-descriptor-based approach predicted the physicochemical properties and toxicities of structurally unknown chemicals, which was beyond the scope of the molecular-descriptor-based approach. The QSAR approach based on analytical signals is valuable for evaluating unknown chemicals in many scenarios. Full article

Small pelagic fish, such as sardines and sprats, are an affordable and nutritionally rich source of omega-3 fatty acids and bioactive peptides. While their nutritional value is well established, the impact of standard household cooking methods on their immunomodulatory potential and effects on intestinal integrity remains poorly understood. Fish were prepared using five culinary techniques (raw, boiled, steamed, baked, and fried), digested via the INFOGEST protocol, and applied at 1% concentration in a Caco-2 co-culture model combined with lipopolysaccharide-stimulated RAW264.7 macrophages. NO and TNF-α production, and epithelial permeability were assessed. Steamed sardines induced the highest NO levels (122%) in activated macrophages, while raw sardines inhibited NO production (73%). Baked sardines and raw sprats triggered higher TNF-α production (>400 pg/mL). Boiled sardines and baked sprats caused the strongest disruption of epithelial permeability (>13%), whereas steamed sardines and raw sprats preserved barrier integrity (<11%). Notably, digested baked and fried fish preserved suppressive effects on NO and TNF-α even after translocation across the epithelial layer. Culinary processing significantly modulates the bioactivity of fish. In general comparison, steaming is gentler than dry heat cooking methods, as it better preserves anti-inflammatory effects and barrier-promoting properties. These findings highlight the relevance of cooking practices in modulating the functional benefits of fish consumption. Full article

The present investigation conducts a comparative analysis of the nucleate pool boiling heat transfer performance of two dielectric fluids, a low-GWP hydrofluoroolefin-based fluid (commercially known as Opteon™ SF33, referred to hereafter as SF33) and a perfluoropolyether-based fluid with a high GWP (commercially known as Galden^R HT55, referred to hereafter as HT55) under atmospheric pressure conditions. Pool boiling experiments and visual observations were performed to assess essential performance parameters, such as critical heat flux, heat transfer coefficient, and boiling dynamics. SF33 exhibits enhanced heat transfer performance, achieving markedly higher heat transfer coefficient values at all the heat flux levels and attaining superior critical heat flux relative to HT55. The results show that SF33 provides a consistently higher heat transfer coefficient, reaching approximately 12 W/m²·K at maximum heat flux, compared to only 6 W/m²·K for HT55, representing nearly a 100% improvement. The visual observations indicated that reduced surface tension and increased latent heat of vaporization of SF33 facilitate more frequent bubble nucleation and smaller bubble departure, thereby enhancing its boiling performance. Properties of SF33 render it a superior candidate for high-performance cooling systems in data centers and power electronics. The study concludes that SF33 is a more efficient and adaptable fluid for next-generation cooling systems, providing superior heat dissipation and energy efficiency relative to HT55. Full article

Thermosyphon heat pipes (THPs) are increasingly employed in advanced thermal management applications due to their highly effective thermal conductivity, compact design, and passive operation. In this study, a numerical investigation was conducted on a copper or aluminum thermosyphon charged with different working fluids, with methanol serving as a reference case. A two-dimensional compressible CFD model was implemented in OpenFOAM, coupling the Volume of Fluid (VOF) method with a hybrid phase-change formulation that integrates the Lee and Tanasawa approaches. It provides, indeed, a balance between computational efficiency and physical fidelity. The vapor flow, considered as an ideal gas, was assumed compressible. The isoAdvector algorithm was applied as a reconstruction technique in order to improve interface capturing, to reduce spurious oscillations and parasitic currents, and to ensure more realistic simulation of boiling and condensation phenomena. The performance dependency on operating parameters such as the inclination angle, liquid filling ratio, and thermophysical properties of the working fluid is analyzed. The numerical predictions were validated against experimental measurements obtained from a dedicated test bench, showing discrepancies below 3% under vertical operation. This work provides new insights into the coupled influence of orientation, fluid inventory, and working fluid properties on THP behavior. Beyond the experimental validation, it establishes a robust computational framework for predicting two-phase heat and mass transfer phenomena by linearizing and treating the terms involved in thebalances to be satisfied implicitly. The results reveal a strong interplay between the inclination angle and filling ratio in determining the overall thermal resistance. At low filling ratios, the vertical operation led to insufficient liquid return and increased resistance, whereas inclined orientations enhanced the liquid spreading and promoted more efficient evaporation. An optimal filling ratio range of 40–60% was identified, minimizing the thermal resistance across the working fluids. In contrast, excessive liquid charge reduced the vapor space and degraded the performance due toflow restriction and evaporationflooding. Full article

This study evaluates the risk of toxic heavy metal exposure in 20 commonly consumed seafood species from Thailand, focusing on arsenic (As), cadmium (Cd), mercury (Hg), and lead (Pb). Seafood is nutritionally valuable but may accumulate harmful metals due to environmental contamination from industrial, agricultural, and medical sources. Samples were collected from markets in Chonburi, prepared through boiling, frying, and grilling, and analyzed using ICP-MS/MS. Most toxic metal levels were within Thai regulatory limits; however, Wedge shell and Musk crab showed arsenic concentrations exceeding permissible levels. Risk assessment employed hazard quotient and margin of exposure calculations using consumption data stratified by age and cooking methods. Results demonstrated that arsenic presents the highest risk, particularly for children aged 0–5.9 years, with Wedge shell and Musk crab posing significant concerns. Cadmium and mercury generally posed low or no risk across samples, except for isolated high-level cadmium exposure in Wedge shell and occasional mercury concerns. Lead, based on the margin of exposure assessment, showed significant health risk for eater only group. The study concludes that although arsenic contamination in certain seafood species requires careful monitoring and public awareness, other toxic metals—particularly cadmium, mercury, and lead—currently present minimal health risks. Routine surveillance of seafood contaminants is essential to safeguard consumer health, particularly among vulnerable groups. Full article

This study evaluated the effect of two cooking methods on food quality indicators in eight varieties of lima bean (Phaseolus lunatus L.), a species that in its raw state is characterized by high hardness and elevated levels of antinutritional compounds. After washing and soaking in distilled water (1:4 grain/water ratio, 3 h), two cooking methods were applied: autoclaving at 121 °C (steam cooking) and boiling in an open system at 91 °C, until reaching a defined hardness endpoint. Both cooking techniques significantly reduced grain hardness, from 2975 to 427.26 kgf in variety V3 (Torta IM. 003 red). Protein content increased up to 33.48% in V5 (Torta IM. 006 cream-black), while protein digestibility reached 89% in V1 (Pallar PE. 001), with steam cooking showing superior results. Likewise, non-nutritional components predominant in raw grains were more effectively reduced by steam cooking. The findings highlight varietal differences in response to processing and confirm steam cooking as the most efficient method to enhance nutritional quality and minimize non-nutritional components in P. lunatus. These results provide relevant insights for improving the use of P. lunatus in human nutrition. Full article

Currently, few studies have revealed the comprehensive effects of environmental organic matter, freeze–thaw and oxidative aging on the adsorption performance of cadmium (Cd(II)), which is essential for the sustainable stability evaluation of the adsorbent. Herein, we observed that humic acids (HAs) extracted from different soils inhibited the adsorption performance of Cd(II) onto the cuttlebone-derived samples by occupying the different major adsorption active sites of the adsorbent, and the lower cadmium-complexation ability of HAs would increase the occupation of adsorption sites. The freeze–thaw process increased the pore size and volume of the cuttlebone-derived samples, while oxidative aging enhanced the specific surface area and introduced additional C–O/C=O groups. These changes promoted the adsorption performance of Cd(II) in the cuttlebone-derived samples after freeze–thaw or oxidative aging. Additionally, the resistances of cuttlebone-based adsorbents to HAs, freeze–thaw, and oxidative aging were elucidated and optimized by simple alkali boiling or carbonization treatment. Furthermore, the adsorption capacities of Cd(II) by samples in the natural cadmium-contaminated river ranged from 548.99 mg g⁻¹ to 571.55 mg g⁻¹, which are higher values than those of most reported adsorbents. Therefore, this work provides an important experimental basis for the practical application and sustainable design of adsorbents under real environmental conditions. Full article

The retention of polyphenols in thermally processed noodles is constrained by interactions with starch and glutenin, critically impacting functional properties (antioxidant activity, starch digestibility modulation) and quality attributes. Current understanding lacks quantitative links between initial pomace particle size, polyphenol behavior throughout processing, and the resulting noodle properties. This study systematically investigated how Rosa roxburghii pomace particle size (0.1–250 μm), fractionated into five ranges, governs polyphenol extractability, retention in fresh/boiled noodles, and their functional and quality outcomes. Mathematical modeling established quantitative particle size–property relationships. The results indicated that polyphenol release was maximized at the 1–10 μm particle size. Total phenolic retention in boiled noodles was highest with 0.1–1 μm pomace, while the retention of specific phenolics peaked with 60–80 μm pomace. Fresh noodle hardness and gumminess decreased significantly, particularly with extracts from 1 to 40 μm pomace, whereas boiled noodles showed increased chewiness/adhesiveness. All polyphenol-enriched noodles exhibited suppressed starch digestibility and enhanced antioxidant capacity. Robust quadratic regression models predicted key properties based on particle size. Molecular interactions (hydrogen bonding, hydrophobic contacts, π–cation stacking, salt bridges) between key phenolics (EGCG, hydroxybenzoic acid, gallic acid, quercetin, and isoquercitrin) and the gluten–starch matrix, critically involving residues Arg-86 and Arg-649, were identified as the underlying mechanism. These results demonstrate that precise control of pomace particle size regulates extract composition and molecular binding dynamics, providing a strategic approach to optimize functional noodle design. Full article

This study numerically investigates the growth and dynamics of a single vapor bubble in a rectangular microchannel under subcooled and saturated inlet conditions using the phase-field method coupled with the Lee phase-change model. Results demonstrate that subcooled flow induces early bubble nucleation, pronounced lateral expansion along the heated wall, and prolonged bubble-wall contact due to stronger condensation at the interface and thinner microlayer formation. Enhanced recirculating vortices and steeper thermal gradients promote vigorous evaporation and increased local heat flux, resulting in faster downstream bubble propagation driven by significant axial pressure gradients. Analysis of temperature gradient and heat flux profiles confirms that subcooled conditions produce higher wall heat flux and more frequent peaks in evaporative flux compared to the saturated case, indicating intensified phase-change activity and thermal transport. Conversely, saturated conditions produce more spherical bubbles with dominant vertical growth, weaker condensation, and symmetrical thermal and pressure fields, leading to slower growth and delayed detachment near the nucleation site. These findings highlight the critical influence of inlet subcooling on bubble morphology, flow structures, heat transfer, and pressure distribution, underscoring the thermal management advantages of subcooled boiling in microchannel applications. Full article

Self-emulsifying delivery systems (SEDSs) generate micro/nanoemulsions within the gastrointestinal tract, enhancing the bioavailability of hydrophobic phytochemicals. Turmeric rice is a staple across Asia, yet the mechanism of curcumin binding with rice remains unclear. This study utilized curcumin SEDS and pre-heating to produce curcumin instant rice (CIR). The CIR maintained its appearance and increased the levels of slowly digestible starch to 26.43–28.38% following steamer steaming (SST). In contrast, cooker water-boiling treatment (CWBT) enhanced resistant starch (16.73–38.24%), curcumin loading (3.77–61.39 mg/100 g), total phenolic content (23.09–193.79 mg GAE/100 g DW), and antioxidant activity. Following 50 min of CWBT, the gelatinization process disrupted the ordered structure of starch, facilitating the formation of amylose–lipid complexes. This process resulted in a maximum resistant starch content of 47.81% and a curcumin loading of 66.50 mg/100 g. Differential scanning calorimetry revealed an endothermic peak for type II crystals (105–130 °C), while X-ray diffraction exhibited V-type patterns, confirming the observed changes. Pre-heating enhanced the curcumin encapsulation and RS of CIR, thereby enhancing its bioavailability relative to conventional turmeric rice. Full article

This study presents a carbon footprint assessment of a novel electroslag method for cadmium (Cd) recovery from spent nickel–cadmium (Ni-Cd) batteries in comparison with the carbon footprints of pyrometallurgical and hydrometallurgical cadmium recovery methods. A comparison of CO₂ emissions in three types of technological processes during the recovery of 1 kg of cadmium is carried out. Energy inputs and CO₂ emissions are calculated for the electroslag process and compared to conventional methods, such as pyrometallurgical and hydrometallurgical reduction methods. The electroslag process eliminates cadmium vaporization by using molten KCl–NaCl flux and carbon under electromagnetic stirring. Cadmium reduction occurs under a layer of flux, which prevents the contact of the reduced cadmium with the atmosphere. The electroslag process temperature is limited to 700 °C, which is lower than the boiling point of cadmium (767 °C). The electroslag remelting process uses molten KCl–NaCl flux and carbon as a reductant under electrovortex flow stirring. The pyrometallurgical method for extracting cadmium from nickel–cadmium batteries is based on the reduction of cadmium with carbon at high temperatures. In the pyrometallurgical process, coal (anthracite) is used as the carbonaceous material, which can extract 99.92% of cadmium at 900 °C. Cadmium is separated using a vacuum at temperatures ranging from 800 °C to 950 °C for several hours. Hydrometallurgy is a metal extraction process involving chemical reactions that occur in organic or aqueous solutions at low temperatures. The hydrometallurgical process involves a series of acid or alkaline leaches, followed by separation and purification methods such as absorption, cementation, ion exchange, and solvent extraction to separate and concentrate metals from leach solutions. Full article

The global rise in obesity and metabolic disorders has intensified the demand for safe and effective sugar alternatives. Monellin, a naturally sweet protein derived from Dioscoreophyllum cumminsii, serves as an excellent sugar alternative, but its broader application has been constrained by poor thermal stability and limited evaluation of long-term metabolic effects. In this study, we evaluated the metabolic effects of MNEI-Mut6, a boiling-resistant single-chain monellin variant, in male C57BL/6 mice fed standard chow supplemented with either 4% sucrose or an equivalent sweetness concentration of MNEI-Mut6 for 16 weeks. Compared with sucrose, MNEI-Mut6 did not promote weight gain, preserved insulin sensitivity, and maintained glucose homeostasis. In addition, MNEI-Mut6 reduced hepatic lipid accumulation and adipocyte hypertrophy without inducing hepatotoxic or nephrotoxic effects. Collectively, these findings demonstrate that MNEI-Mut6, a thermally stable and metabolically neutral sweetener, is a promising and safer alternative to sucrose and artificial sweeteners suitable for application in food processing and product formulation. Full article

The main objective of the study was to evaluate the colour changes generated by outdoor exposure on spruce (Picea abies L. Karst) samples used as shingles for the roof of a traditional Maramures gate. Additionally, samples made of oak (Quercus petraea Liebl.) have been used to simulate the gate pillar. The specimens have been treated with boiled linseed oil and exposed to the outdoor environment for nine months under two different trial positions. The colour and moisture content changes in the samples have been periodically evaluated. Reactions of the samples from two species have been analysed considering three different variables, such as exposure time, treatment chemical, and positioning during their outdoor exposure. The samples vertically positioned showed fewer discolouration compared to those with inclined exposure. The total variation in colour increased as the length of exposure time increased. After nine months, the highest variation, based on the ΔE* values, was recorded in the category of untreated samples exposed at an angle of 60° to the horizontal, which showed values of ΔE* = 24.87 for oak and ΔE* = 31.16 for spruce, respectively. The oil treatment had a significant impact only on spruce samples having orthogonal exposure. The findings of this study have the potential to provide a better understanding of such species used for construction applications in relation to weathering. Full article

As a key zero-carbon energy carrier, the accurate measurement of liquid hydrogen flow in its industrial chain is crucial. However, the ultra-low temperature, ultra-low density and other properties of liquid hydrogen can introduce calibration errors. To enhance the measurement accuracy and reliability of liquid hydrogen flow, this study investigates the heat and mass transfer within a 1 m³ non-vented storage tank during the calibration process of a liquid hydrogen flow standard device that integrates combined dynamic and static gravimetric methods. The vertical tank configuration was selected to minimize the vapor–liquid interface area, thereby suppressing boil-off gas generation and enhancing pressure stability, which is critical for measurement accuracy. Building upon research on cryogenic flow standard devices as well as tank experiments and simulations, this study employs computational fluid dynamics (CFD) with Fluent 2024 software to numerically simulate liquid hydrogen flow within a non-vented tank. The thermophysical properties of hydrogen, crucial for the accuracy of the phase-change simulation, were implemented using high-fidelity real-fluid data from the NIST Standard Reference Database, as the ideal gas law is invalid under the cryogenic conditions studied. Specifically, the Lee model was enhanced via User-Defined Functions (UDFs) to accurately simulate the key phase-change processes, involving coupled flash evaporation and condensation during liquid hydrogen refueling. The simulation results demonstrated good agreement with NASA experimental data. This study systematically examined the effects of key parameters, including inlet flow conditions and inlet liquid temperature, on the flow characteristics of liquid hydrogen entering the tank and the subsequent heat and mass transfer behavior within the tank. The results indicated that an increase in mass flow rate elevates tank pressure and reduces filling time. Conversely, a decrease in the inlet liquid hydrogen temperature significantly intensifies heat and mass transfer during the initial refueling stage. These findings provide important theoretical support for a deeper understanding of the complex physical mechanisms of liquid hydrogen flow calibration in non-vented tanks and for optimizing calibration accuracy. Full article

In this study, the sublimation and vapor pressure characteristics of RuO₄ were systematically investigated using ab initio thermodynamic calculations. Structural optimizations and vibrational frequency analyses were performed for gaseous RuO₄ and four candidate solid phases (monoclinic Cm, P2₁/c, C2/c, and cubic P-43n) within the density functional theory (DFT) framework. Gibbs free energies were evaluated by incorporating electronic energies, zero-point corrections, and entropic contributions from translational, rotational, and vibrational modes. The results identify monoclinic C2/c and cubic P-43n as the most stable solid phases across the studied temperature range. Calculated sublimation temperatures of 322 K at 1 atm and 240 K at 1 × 10⁻³ atm were obtained in good agreement with experimental melting and boiling points. Calculated vapor pressures show reasonable agreement with experimental measurements below the triple point, with deviations at higher temperatures attributable to approximating liquid-gas behavior using solid-gas sublimation data. These findings provide the first theoretical description of RuO₄ vapor pressure and offer a computational framework extendable to other transition-metal ALD precursors. Full article