Search Results (529)

Water contamination by heavy metals, particularly lead, derived from industrialization, climate change, and urbanization, represents a critical risk to human health and the environment. Several agricultural biomass residues have demonstrated efficacy as contaminant adsorbents. In this context, the study aimed to evaluate the potential of sugarcane tip (ST) waste biomass treated by hydrothermal carbonization (HTC) to produce hydrochar as an adsorbent material for Pb²⁺ in aqueous solutions. Samples were synthesized from the waste biomass at temperatures of 180 °C, 215 °C, and 250 °C, with a constant pressure of 6 MPa. Aqueous solutions of Pb²⁺ were prepared at concentrations of 10, 25, 50, 75, and 100 mg/L. Each solution was stirred at 1 g of hydrochar at 150 rpm, 25 °C, and pH 5 for 15 to 120 min. The solutions were filtered and stored at 4 °C for flame atomic absorption spectrophotometry analysis. In all cases, equilibrium was reached rapidly—within 15 min or less—as indicated by the stabilization of q_t values over time. At an initial concentration of 100 mg L⁻¹, the highest equilibrium uptake was observed for the hydrochar synthesized at ST HTC 180 °C (4.90 mg g⁻¹), followed by 4.58 mg g⁻¹ and 4.52 mg g⁻¹ for ST HTC 215 °C and ST HTC 250 °C, respectively. For the ST HTC 180 °C, the Sips model provided the best correlation with the experimental data, exhibiting a high maximum capacity (q_max = 240.8 mg g⁻¹; K_s = 0.007; n = 1.09; R² = 0.975), which reinforces the heterogeneous nature of the material’s surface. Hydrothermal synthesis increased the amount of acidic active sites in the ST HTC 180 °C material from 1.3950 to 3.8543 meq g⁻¹, which may influence the electrical charge of the Pb²⁺ adsorption process. HTC-treated sugarcane tip biomass represents a promising alternative for the synthesis of adsorbent materials, contributing to water remediation and promoting the circular economy by sustainably utilizing agricultural waste. Full article

 Quantifying uncertainty in complex systems is a central problem in reliability analysis and engineering applications. In this work, we develop an information-theoretic framework for analyzing linear consecutive k-out-of-n:G systems using the cumulative residual Tsallis entropy (CRTE). A general analytical expression for CRTE is derived, and its behavior is investigated under various stochastic ordering relations, providing insight into the reliability of systems governed by continuous lifetime distributions. To address challenges in large-scale settings or with nonstandard lifetimes, we establish analytical bounds that serve as practical tools for uncertainty quantification and reliability assessment. Beyond theoretical contributions, we propose a nonparametric CRTE-based test for dispersive ordering, establish its asymptotic distribution, and confirm its statistical properties through extensive Monte Carlo simulations. The methodology is further illustrated with real lifetime data, highlighting the interpretability and effectiveness of CRTE as a probabilistic entropy measure for reliability modeling. The results demonstrate that CRTE provides a versatile and computationally feasible approach for bounding analysis, characterization, and inference in systems where uncertainty plays a critical role, aligning with current advances in entropy-based uncertainty quantification.  Full article

Background: The use of antibiotics in livestock has contributed to the spread of antimicrobial resistance (AMR) and biofilms can play a role in its emergence and dissemination. This review aimed to map the literature on AMR, antimicrobial resistance genes (ARGs), and antibiotic residues (ARs) in biofilms from drinking water distribution systems in poultry, swine, and cattle farms. Methods: The review was conducted according to the PRISMA-ScR extension. Four databases (PubMed, Scopus, Agricola, and Web of Science) were searched. Studies were screened in Rayyan. Results: The search yielded 1242 studies. After screening 732 studies, only 4 met the inclusion criteria. These studies focused on poultry (n = 3) and dairy cattle (n = 1), not on swine. Isolation relied on plating methods. Two studies complemented culturing with 16S rRNA sequencing. No studies applied culture-independent techniques. The number of biofilm-derived isolates across studies ranges from 6 to 102. Three studies performed antimicrobial susceptibility testing, using a wide range of antibiotics (16 to 31). One study analyzed ARGs; none quantified ARs. Conclusions: The limited number of studies and lack of standardized methods hinder the generalizability of the findings, underscoring the need for research to clarify biofilms’ role in AMR dissemination in livestock farms. Full article

This study investigates the comparative applicability of Somaloy 700HR 5P and Fe-5.0 wt.%Si powders for axial flux permanent magnet (AFPM) motor cores in low-speed electric vehicles. Optimal forming conditions were derived through Taguchi-based simulations, considering corner radius, forming temperature, and forming speed, followed by prototype fabrication and validation. Simulation and SEM-EDS analyses confirmed consistent density distribution trends, and XRD verified phase stability during forming. While Fe-5.0 wt.%Si exhibited ~10% ± 2 superior electromagnetic performance in the powder state, its motor dynamo performance decreased by 19–25% (n = 1) compared to Somaloy 700HR 5P. This discrepancy was attributed to its ~4% lower target density (7.19 ± 0.02 g/cm³ vs. 7.51 ± 0.01 g/cm³, n = 3), assembly-induced mechanical losses, and non-uniform insulation layer caused by residual H₃PO₄ and Mo segregation. Somaloy 700HR 5P, despite a higher relative density variation (0.084 ± 0.002 g/cm³ vs. 0.063 ± 0.003 g/cm³ for Fe-5.0 wt.%Si), achieved an average density close to 7.5 g/cm³ and delivered more stable motor performance. Overall, Somaloy 700HR 5P was identified as a more suitable candidate for AFPM motor cores in low-speed EV applications, balancing formability and electromagnetic performance. Full article

Background: Chromosomal instability (CIN) may underlie a subset of idiopathic infertility, and chronic periodontitis could contribute to genomic fragility. We tested whether periodontal status is associated with cytogenetic instability in adults with idiopathic infertility. Methods: This was a cross-sectional study of 60 adults aged 20–40 years, comprising idiopathic infertility (n = 30) and fertile controls (n = 30), each with 18 women and 12 men. Significant exclusions included systemic inflammatory disease, pregnancy/lactation, recent antibiotics/NSAIDs, and periodontal therapy within 6 months. Periodontal examination recorded probing depth (PD), clinical attachment loss (CAL), and bleeding on probing (BOP). Cytogenetic testing used mitomycin C-induced chromosomal breakage to derive the Breakage Index (BI); CIN was defined as BI ≥ 4.0. Analyses compared infertile with CIN (n = 19), infertile without CIN (n = 11), and controls (n = 30). Results: Infertile participants with CIN had a higher periodontitis burden compared to infertile participants without CIN and to controls (moderate–severe: 89.5% vs. 54.5% vs. 26.7%); mean BI also differed (5.2 ± 0.9 vs. 1.3 ± 0.5 vs. 0.4 ± 0.2). Periodontal measures followed the same gradient, with greater CAL and PD in CIN-positive infertility. Conclusions: In idiopathic infertility, CIN was cross-sectionally associated with more severe periodontitis, and the BI correlated with CAL, PD, and BOP. Causality cannot be inferred and residual confounding cannot be excluded. Periodontal screening is a feasible adjunct that may help identify a modifiable inflammatory burden; prospective and interventional studies are warranted. Full article

Neglected tropical diseases (NTDs) constitute a group of infectious diseases that severely affect the health of impoverished populations, and the health, economies, and health systems of affected countries. Leishmaniasis and human African trypanosomiasis (HAT) are particularly notable, and malaria, despite not being neglected, is part of the “big three” (HIV, tuberculosis, and malaria) with high incidence, increasing the probability of infection by NTDs. Therefore, efforts are ongoing in the search for new drugs targeting the enzyme N-myristoyltransferase (NMT), a potential drug target that has been explored. Thus, we provide a review here that highlights the epidemiological data for these diseases and the importance of discovering new drugs against these agents. Here, the importance of NMT and its inhibitors is clear, with this study highlighting thiochromene, pyrazole, thienopyridine, oxadiazole, benzothiophene, and quinoline scaffolds, identified by computational methods followed by biological assays to validate the findings; for example, this study shows the action of the aminoacylpyrrolidine derivative 13 against Leishmania donovani NMT (IC₅₀ of 1.6 nM) and the pyrazole analog 23 against Plasmodium vivax NMT (IC₅₀ of 9.48 nM), providing several insights that can be used in drug design in further work. Furthermore, the selectivity and improvement in activity are related to interactions with the residues Val⁸¹, Phe⁹⁰, Tyr²¹⁷, Tyr³²⁶, Tyr³⁴⁵, and Met⁴²⁰ for leishmaniasis (LmNMT); Tyr²¹¹, Leu⁴¹⁰, and Ser³¹⁹ for malaria (PvNMT); and Lys²⁵ and Lys³⁸⁹ for HAT (TbNMT). We hope our work provides valuable insights that research groups worldwide can use to search for innovative drugs to combat these diseases. Full article

Soil–structure contacts often govern deformation and stability in foundations and buried infrastructure. Rubber waste is used in soil mixtures to enhance geotechnical performance and promote environmental sustainability. This study investigates the peak and residual shear strength of sand–steel interfaces, where the sand is mixed with recycled rubber. It also develops predictive machine learning (ML) models based on the experimental data. Two silica sands, medium and coarse, were mixed with two rubber gradations; however, Rubber B was included only in limited comparative tests at a fixed content. Ring-shear tests were performed against smooth and rough steel plates under normal stresses of 25 to 200 kPa to capture the full τ–δ response. Nine input variables were considered: median particle size (D₅₀), regularity index (RI), porosity (n), coefficients of uniformity (C_u) and curvature (C_c), rubber content (RC), applied normal stress (σ_n), normalised roughness (R_n), and surface hardness (HD). These variables were used to train multiple linear regression (MLR) and random forest regression (RFR) models. The models were trained and validated on 96 experimental data points derived from ring-shear tests across varied material and loading conditions. The machine learning models facilitated the exploration of complex, non-linear relationships between the input variables and both peak and residual interfacial shear strength. Experimental findings demonstrated that particle size compatibility, rubber content, and surface roughness significantly influence interface behaviour, with optimal conditions varying depending on the surface type. Moderate inclusion of rubber was found to enhance strength under certain conditions, while excessive content could lead to performance reduction. The MLR model demonstrated superior generalisation in predicting peak strength, whereas the RFR model yielded higher accuracy for residual strength. Feature importance analyses from both models identified the most influential parameters governing the shear response at the sand–steel interface. Full article

Chemical recycling via catalytic pyrolysis is constrained by coke deposition and costly catalyst make-up. We investigate polypropylene (PP) and low-density polyethylene (LDPE) conversion over a spent FCC equilibrium catalyst (AXL) and, critically, quantify the re-activation energy landscape of the resulting coke. Using a semi-batch reactor (350 °C) and thermogravimetric analysis to 1100 °C combined with the Ozawa–Flynn–Wall method, we distinguish soft and hard coke under inert, oxidative, and sequential N₂ to air regimes. LDPE yields mainly gas (70.7 wt%) with 5.5 wt% coke, whereas PP favors liquids (47.1 wt%) with 3.4 wt% coke. LDPE-derived coke is softer (71% of total; E_A = 170 kJ mol⁻¹ soft) than PP coke (60% soft; E_A = 166 kJ mol⁻¹), evidencing a more refractory PP residue. Oxygen lowers E_A to ~155 kJ mol⁻¹ for both polymers. We introduce a simple TGA-based “softness ratio” to guide regeneration severity and show that a refinery-waste FCC catalyst delivers selective plastic-to-fuel conversion while enabling energy-aware regeneration protocols. The framework directly supports scale-up by linking polymer structure, coke quality, and atmosphere-dependent re-activation energetics. Full article

Endolysins, phage-derived enzymes capable of lysing bacterial cell walls, hold significant promise as novel antimicrobials against resistant Gram-positive and Gram-negative pathogens. In this study, we undertook an integrative approach combining extensive in silico analyses and experimental validation to characterize the novel endolysin LysPALS22. Initially, sixteen endolysin sequences were selected based on documented lytic activity and enzymatic diversity, and subjected to multiple sequence alignment and phylogenetic analysis, which revealed highly conserved catalytic and binding domains, particularly localized to the N-terminal region, underscoring their functional importance. Building upon these sequence insights, we generated three-dimensional structural models using Swiss-Model, EBI-EMBL, and AlphaFold Colab, where comparative evaluation via Ramachandran plots and ERRAT scores identified the Swiss-Model prediction as the highest quality structure, featuring over 90% residues in favored conformations and superior atomic interaction profiles. Leveraging this validated model, molecular docking studies were conducted in PyRx with AutoDock Vina, performing blind docking of key peptidoglycan-derived ligands such as N-Acetylmuramic Acid-L-Alanine, which exhibited the strongest binding affinity (−7.3 kcal/mol), with stable hydrogen bonding to catalytic residues ASP46 and TYR61, indicating precise substrate recognition. Visualization of docking poses using Discovery Studio further confirmed critical hydrophobic and polar interactions stabilizing ligand binding. Subsequent molecular dynamics simulations validated the stability of the LysPALS22–NAM-LA complex, showing minimal structural fluctuations, persistent hydrogen bonding, and favorable interaction energies throughout the 100 ns trajectory. Parallel to computational analyses, LysPALS22 was heterologously expressed in Escherichia coli (E. coli) and Pichia pastoris (P. pastoris), where SDS-PAGE and bicinchoninic acid assays validated successful protein production; notably, the P. pastoris-expressed enzyme displayed an increased molecular weight (~45 kDa) consistent with glycosylation, and achieved higher volumetric yields (1.56 ± 0.31 mg/mL) compared to E. coli (1.31 ± 0.16 mg/mL), reflecting advantages of yeast expression for large-scale production. Collectively, these findings provide a robust structural and functional foundation for LysPALS22, highlighting its conserved enzymatic features, specific ligand interactions, and successful recombinant expression, thereby setting the stage for future in vivo antimicrobial efficacy studies and rational engineering efforts aimed at combating multidrug-resistant Gram-negative infections. Full article

Extraction processes of alginates from Sargassum spp. generate a substantial number of solid residues that are commonly discarded. This study explores the sustainable transformation of these residues into nitrogen-doped biocarbon through chemical activation with KOH and nitrogen doping using urea. XRD, FTIR, SEM-EDX, Raman spectroscopy, BET surface area analysis, XPS, and CHNS elemental analysis were used to characterize the materials. The doped and activated biocarbon (BDA) demonstrated excellent physicochemical properties, including a specific surface area of 1790 m² g⁻¹ and a mesoporous structure. Electrochemical evaluation in alkaline media revealed a current density of −4.37 mA cm⁻², an onset potential of 0.922 E vs. RHE, and a half-wave potential of 0.775 E vs. RHE. Koutecky–Levich analysis indicated a two-electron reduction pathway. The superior performance was attributed to the synergistic effects of high surface area, nitrogen functionalities (pyridinic-N and pyrrolic-N), and enhanced accessibility of active sites. These results highlight the potential of waste-derived, nitrogen-doped biocarbon as a sustainable and low-cost alternative for ORR electrocatalysis in alkaline fuel cells. Full article

This study aimed to investigate vertical variations in dissolved organic matter (DOM) properties, humus (HS) composition, humic acid (HA) characteristics, and clay mineral dynamics, with a particular focus on the vertical distribution of HS components and mineral composition across Dark-brown, Meadow, and Paddy soil profiles. Results indicated that: (1) DOM in all three soil types was predominantly endogenous, primarily derived from microbial metabolism with minimal contributions from plant residues. (2) Vertical trends in DOM carbon content (C_DOM) were specific to soil type: in Dark-brown soil, C_DOM slightly increased from the Ap to Bt layer, followed by a sharp increase in the C layer; Meadow soil exhibited a significant decrease in C_DOM in the AB layer but remained relatively stable in other layers; Paddy soil showed a consistent decline in C_DOM with increasing depth. (3) HS and its fractions exhibited vertical variability: Paddy soil showed higher HS content in surface layers; carbon contents of water-soluble substances, HA, and humic-extracted acid (C_WSS, C_HA, and C_HE) decreased with depth in Dark-brown and Paddy soils, whereas they remained relatively stable in deeper layers of Meadow soil. (4) HA characteristics, including C/N ratio, functional groups, and aromaticity, were influenced by both depth and soil type: the Ap2 layer of Paddy soil effectively restricted the downward movement of organic matter; Fe³⁺ complexation played a key role in HA stabilization in Dark-brown soil; Meadow soil exhibited transitional HS properties. (5) Clay mineral assemblages were dominated by 2:1 type minerals (illite, smectite, illite–smectite interstratifications), showing distinct vertical weathering patterns: illite content decreased with depth due to hydrolysis, while proton-driven dissolution promoted kaolinite formation in surface layers, particularly in Dark-brown soil 2:1 minerals enhancing organic–mineral complexation in Meadow soil. The findings of this study provided a scientific basis for optimizing soil carbon pool management and offer insights into organic–mineral interactions that can enhance organic matter sequestration in agricultural soils. Full article

Background: Breast cancer is a complex, multifactorial malignancy characterized by the uncontrolled proliferation of epithelial cells, with certain subtypes exhibiting resistance to conventional therapies. Plant-derived essential oils have been proposed as potential anticancer agents due to their bioactive compounds. Recent studies have demonstrated that Decatropis bicolor essential oil exhibits activity against breast cancer, attributed to diverse secondary metabolites such as δ-cadinene. Aberrant expression of adhesion and invasion proteins, including MMPs, CD44, N-cadherin, and ZEB-2, are key signs of breast cancer progression and metastasis; they represent relevant molecular targets. Objectives: To investigate the interaction of δ-cadinene with these proteins using in silico approaches and in vitro evaluations. Methods: In silico analyses were conducted to assess the interaction and stability of δ-cadinene with target proteins. In vitro assays, including cytotoxicity, morphological analysis, and cell invasion assays, were performed using MDA-MB-231 and MCF10-A cell lines. Results: Interaction analysis suggest that δ-cadinene interacts with key catalytic residues in MMP-2, sharing features with Quercetin. Blind docking revealed a second high-affinity site in the Fibronectin type II domain. Molecular dynamics simulations confirmed the stability of these complexes. In vitro studies showed that δ-cadinene significantly reduced MDA-MB-231 cell viability in a concentration-dependent manner, without affecting MCF10-A cells, and significantly inhibited invasion and MMP-2 activity after 24 h. Conclusions: δ-cadinene exhibits selective cytotoxic and anti-invasive activity in MDA-MB-231 cells, likely through dual inhibition of the catalytic and adhesion domains of MMP-2. These findings support δ-cadinene as a potential candidate for future therapeutic development in metastatic breast cancer. Full article

Three new series of indolizines (5a–f, 6a–f and 7a–g), functionalized with bromine or ethyl ester substituents on the pyridine ring, were designed and synthesized as promising anticancer agents. The synthesis of indolizine derivatives was carried out using the 1,3-dipolar cycloaddition of pyridinium N-ylides to ethyl propiolate as a key step. Spectral characterization (using NMR, FT-IR, HRMS and X-ray diffraction) showed that two types of cycloadducts 5a–f and 6a–f were obtained when the ylides generated by the 3-bromopyridinium salts were used as 1,3-dipoles in Huisgen cycloaddition reactions to ethyl propiolate. The anticancer effect of selected compounds was in vitro assessed against the National Cancer Institute (NCI) panel of 60 human tumor cells, at 10 μM concentration, with three compounds (5c, 6c and 7g) showing promising inhibitory activity on the growth of several cell lines including lung, brain, renal cancer and melanoma, as well as a cytotoxic effect against HOP-62 non-small cell lung cells (34% for compound 5c and 15% for compound 7g) and SNB-75 glioblastoma cells (15% for compound 5c and 14% for derivative 7c). Molecular docking revealed favorable binding affinities for 5c, 6c and 7g (–9.22 to –9.88 kcal/mol) at the colchicine-binding site of tubulin with key interactions involving βASN-258, βALA-317, and βLYS-352 residues for 5c, βASN-258 in case of 6c, and αVAL-181 and βLYS-254 for derivative 7g. According to the in silico ADMET analysis, the active compounds are predicted to exhibit good oral bioavailability, promising drug-like qualities and low toxicity risks. Full article

Polygonum multiflorum (PM) residues represent an underutilized biomass resource, with pyrolysis offering a promising route for valorizing its biomass into valuable chemicals and biochar. This study elucidated how the intrinsic physicochemical properties of PM residue governed its pyrolysis kinetics, thermodynamics, mechanisms, and product distribution across varying thermal regimes (slow pyrolysis at 20 °C/min vs. fast pyrolysis). The primary devolatilization stage (174–680 °C) dominated the pyrolysis process. Applying three model-free kinetic approaches (FWO, KAS, Starink) over 0.1 < α < 0.7, this study observed a dramatic shift in apparent activation energy (219.7–354.7 kJ/mol). Major gaseous pyrolysis products identified included alcohols, aldehydes, ketones, acids, aromatic hydrocarbons, phenolics, CO, and CO₂. Ketones constituted the predominant fraction (23.80%), followed by acids (18.18%), phenolic derivatives (18.18%), N-containing compounds (14.28%), and furans (4.54%). The findings of this study contribute significant theoretical understanding and practical solutions for the effective pyrolysis and resource recovery from Polygonum multiflorum processing byproducts. Full article

The persistent presence of pesticide residues in vegetables raises significant concerns for food safety and public health, highlighting the need for sensing platforms that are efficient, affordable, and environmentally friendly while minimizing analysis time and reagent use. In this study, we developed a laser-induced graphene electrode (LIGE) modified with a titanium dioxide–Enteromorpha-derived carbon composite (TiO₂@EDC) for the sensitive electrochemical detection of the herbicide diuron in vegetables. This integrated system streamlines material synthesis, electrode fabrication, and electrochemical analysis into a single, practical platform for food safety monitoring. Under optimized conditions, this sensor exhibited a wide linear detection range of 0.01 µM to 1 mM, with a low limit of detection of 2.99 nM (3 S/N) and a limit of quantification of 9.98 nM (10 S/N). Notably, the sensor demonstrated excellent analytical performance in real vegetable samples by accurately quantifying diuron residues in lettuce, indicating its potential for on-site monitoring of pesticide contamination in food matrices to ensure food safety. Full article