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12 pages, 3474 KB  
Article
Differences in the Biliary Microbiome Between Biliary Tract Cancer and Benign Biliary Disease
by Hye Ji Lee, Sung Hee Park, Sung Yong Han, Jong Hyun Lee, Dong Uk Kim and Hyung Il Seo
Microorganisms 2026, 14(1), 208; https://doi.org/10.3390/microorganisms14010208 - 16 Jan 2026
Viewed by 128
Abstract
Bile contains many bacteria that can contribute to various diseases. Therefore, identifying bile microbiome differences between benign and malignant conditions is essential. In this study, bile samples were collected aseptically from 141 patients with biliary tract cancer (BTC) or benign biliary diseases (BBDs) [...] Read more.
Bile contains many bacteria that can contribute to various diseases. Therefore, identifying bile microbiome differences between benign and malignant conditions is essential. In this study, bile samples were collected aseptically from 141 patients with biliary tract cancer (BTC) or benign biliary diseases (BBDs) who underwent endoscopic retrograde cholangiopancreatography or biliary tract surgery. Quality control PCR was performed to amplify the V3–V4 region of the bacterial 16S rRNA gene. Metagenomic sequencing of bile was successfully performed in 35 of 56 samples collected from patients with BTC and 24 of 85 samples from patients with BBD. The mean alpha diversity values comprised 2.788 ± 2.833 and 2.319 ± 1.355 in the BBD and BTC groups, respectively (p = 0.399). The bacterial species (4.7%) were shared between groups, whereas 12.3% and 83% were indicated to patients with BTC and BBD, respectively. Bacteroides coprocola, Prevotella copri, and Bacteroides plebeius were more frequently identified in the bile of patients with BTC, whereas Bacteroides vulgatus and Bacteroides uniformis were more abundant in the bile of patients with BBD. Distinct patterns of microorganism abundance between the two groups of patients suggest association of bile microbiome with disease status, so its diagnostic potential should be validated in further studies. Full article
(This article belongs to the Section Microbiomes)
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18 pages, 4346 KB  
Article
Catalytic CO2 Utilization for Ethanol Reforming over Yttrium-Promoted Ni-Co/MCM-41 Catalyst: Optimizing Hydrogen Production Using Box–Behnken Experimental Design and Response Surface Methodology
by Bamidele Victor Ayodele, SK Safdar Hossain, Nur Diyan Mohd Ridzuan and Hayat Khan
Catalysts 2026, 16(1), 90; https://doi.org/10.3390/catal16010090 - 13 Jan 2026
Viewed by 194
Abstract
Catalytic dry reforming of ethanol offers a sustainable pathway for syngas and hydrogen production through CO2 utilization, though its efficiency depends heavily on the strategic synthesis of catalysts and the optimization of reaction parameters. This study employs Box–Behnken Design (BBD) and Response [...] Read more.
Catalytic dry reforming of ethanol offers a sustainable pathway for syngas and hydrogen production through CO2 utilization, though its efficiency depends heavily on the strategic synthesis of catalysts and the optimization of reaction parameters. This study employs Box–Behnken Design (BBD) and Response Surface Methodology (RSM) to optimize hydrogen yield from CO2 reforming of ethanol over a Yttrium-promoted Ni-Co/MCM-41 catalyst. The catalyst was synthesized using sequential wet impregnation method and characterized for its physicochemical properties. The catalyst was tested in fixed-bed reactor using experimental data obtained from BBD considering the effects of temperature (550–700 °C), ethanol flowrate (0.5–1 mL/min) and CO2 flowrate (15–30 mL/min) on the hydrogen yield. The experimental conditions were optimized using RSM quadratic model. The characterization revealed that the ordered mesoporous nature of the MCM-41 is maintained providing a high surface area of 597.75 m2/g for the catalyst. The addition of Yttrium as a promoter facilitates the formation of well crystallized nanoparticles. Maximum hydrogen yield of 85.09% was obtained at 700 °C, 20.393 mL/min and 0.877 mL/min for temperature, CO2 and ethanol flowrate, respectively. The predicted hydrogen yield obtained is strongly correlated with the actual values as indicated by R2 of 0.9570. Full article
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22 pages, 3398 KB  
Article
Calibration of Discrete Element Method Parameters for Cabbage Stubble–Soil Interface Using In Situ Pullout Force
by Wentao Zhang, Zhi Li, Qinzhou Cao, Wen Li and Ping Jiang
Agriculture 2026, 16(2), 205; https://doi.org/10.3390/agriculture16020205 - 13 Jan 2026
Viewed by 114
Abstract
Cabbage stubble left in fields after harvest forms a mechanically complex stubble–soil composite that hinders subsequent tillage and crop establishment. Although the Discrete Element Method (DEM) is widely used to model soil-root systems, calibrated contact parameters for taproot-dominated vegetables like cabbage remain unreported. [...] Read more.
Cabbage stubble left in fields after harvest forms a mechanically complex stubble–soil composite that hinders subsequent tillage and crop establishment. Although the Discrete Element Method (DEM) is widely used to model soil-root systems, calibrated contact parameters for taproot-dominated vegetables like cabbage remain unreported. This study addresses this gap by calibrating a novel DEM framework that couples the JKR model and the Bonding V2 model to represent adhesion and mechanical interlocking at the stubble–soil interface. Soil intrinsic properties and contact parameters were determined through triaxial tests and angle-of-repose experiments. Physical pullout tests on ‘Zhonggan 21’ cabbage stubble yielded a mean peak force of 165.5 N, used as the calibration target. A three-stage strategy—factor screening, steepest ascent, and Box–Behnken design (BBD)—identified optimal interfacial parameters: shear stiffness per unit area = 4.40 × 108 N·m−3, normal strength = 6.26 × 104 Pa, and shear strength = 6.38 × 104 Pa. Simulation predicted a peak pullout force of 162.0 N, showing only a 2.1% deviation from experiments and accurately replicating the force-time trend. This work establishes the first validated DEM framework for cabbage stubble–soil interaction, enabling reliable virtual prototyping of residue management implements and supporting low-resistance, energy-efficient tillage tool development for vegetable production. Full article
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15 pages, 1585 KB  
Article
Comparative Analysis of Phytochemical Profile and Antioxidant and Antimicrobial Activity of Green Extracts from Quercus ilex and Quercus robur Acorns
by Diego Gonzalez-Iglesias, Francisco Martinez-Vazquez, Laura Rubio, Jesús María Vielba, Trinidad de Miguel and Marta Lores
Molecules 2026, 31(2), 277; https://doi.org/10.3390/molecules31020277 - 13 Jan 2026
Viewed by 196
Abstract
An environmentally friendly extraction strategy based on an MSAT (Medium Scale Ambient Temperature) system was applied to Quercus ilex and Quercus robur acorns with the aim of maximizing polyphenolic yield and antioxidant activity while minimizing solvent consumption. Operational parameters were first optimized for [...] Read more.
An environmentally friendly extraction strategy based on an MSAT (Medium Scale Ambient Temperature) system was applied to Quercus ilex and Quercus robur acorns with the aim of maximizing polyphenolic yield and antioxidant activity while minimizing solvent consumption. Operational parameters were first optimized for Quercus ilex using a BBD-RSM (Box–Behnken response surface methodology), where the optimum working zone corresponds to the values of 200 g of acorn, 100 mL of extracting solvent, and 0.5 dispersant/acorn ratio. Subsequently, these conditions were applied to Quercus robur to enable an interspecific comparison. Extracts were evaluated in terms of total polyphenolic content, antioxidant activity, reducing sugars, proteins, targeted polyphenols quantified by UHPLC-QToF, and antimicrobial activity. Optimal extractions from Quercus ilex reached 25,072 mgGAE L−1 and 162 mmolTE L−1, while Quercus robur extracts showed markedly superior values of 35,822 mgGAE L−1 and 234 mmolTE L−1. Polyphenol quantification revealed higher concentrations of gallotannins in Quercus robur and procyanidins and catechin in Quercus ilex. The extracts showed strong antibacterial activity, especially Quercus ilex against S. aureus with a MIC ≤ 0.63%. Furthermore, it has been demonstrated for the first time that acorn extracts can inhibit the growth of Phytophthora cinnamomi in vitro, with Quercus robur extracts having a MIC ≤ 0.1% and Quercus ilex extracts ≤ 1%. Full article
(This article belongs to the Section Natural Products Chemistry)
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29 pages, 8571 KB  
Article
Response Surface Methodology for Wear Optimization of Irrigation Centrifugal Pumps in High-Sediment Water Conditions of Southern Xinjiang: Design and Experimental Validation
by Haoran Chen, Zhuo Shi, Shunjun Hong and Xiaozhou Hu
Agriculture 2026, 16(2), 177; https://doi.org/10.3390/agriculture16020177 - 9 Jan 2026
Viewed by 214
Abstract
This study investigates the wear characteristics and optimization of a centrifugal pump (Q = 25 m3/h, H = 50 m, n = 2900 r/min) applied in sediment-laden waters of Southern Xinjiang irrigation systems. A numerical framework integrating the Realizable [...] Read more.
This study investigates the wear characteristics and optimization of a centrifugal pump (Q = 25 m3/h, H = 50 m, n = 2900 r/min) applied in sediment-laden waters of Southern Xinjiang irrigation systems. A numerical framework integrating the Realizable kε turbulence model, Discrete Phase Model (DPM), and Oka erosion model was established to analyze wear patterns under varying parameters (particle size, density, and mass flow rate). Results indicate that the average erosion rate peaks at 0.92 kg/s mass flow rate. Subsequently, a Response Surface Methodology (RSM)-based optimization was implemented: (1) Plackett–Burman (PB) screening identified the inlet placement angle (A), inlet diameter (C), and outlet width (E) as dominant factors; (2) Full factorial design (FFD) revealed significant interactions (e.g., A × C, C × E); (3) Box–Behnken Design (BBD) generated quadratic regression models for head, efficiency, shaft power, and wear rate (R2 > 0.94). Optimization reduced the average erosion rate by 31.35% (from 1.550 × 10−4 to 1.064 × 10−4 kg·m−2·s−1). Experimental validation confirmed the numerical model’s accuracy in predicting wear localization (e.g., impeller outlet). This work provides a robust methodology for enhancing the wear resistance of centrifugal pumps for agricultural irrigation in water with high fine sediment concentration environments. Full article
(This article belongs to the Section Agricultural Technology)
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15 pages, 2938 KB  
Article
Investigating the Antioxidant Potential of Mango Seed Kernel Polyphenols: Extraction and Optimization Strategies
by Poonam Choudhary, Sandeep P. Dawange, Thingujam Bidyalakshmi, Ramesh Chand Kasana, Kairam Narsaiah and Bhupendra M. Ghodki
Foods 2026, 15(1), 173; https://doi.org/10.3390/foods15010173 - 4 Jan 2026
Viewed by 361
Abstract
Mango seed kernels, an underutilized by-product of the mango pulping industries, are a rich supplier of metabolites, specifically phenolic and flavonoid compounds. These compounds have potential health benefits. The present study aims to optimize the solvent-assisted conditions for polyphenol extraction from mango seed [...] Read more.
Mango seed kernels, an underutilized by-product of the mango pulping industries, are a rich supplier of metabolites, specifically phenolic and flavonoid compounds. These compounds have potential health benefits. The present study aims to optimize the solvent-assisted conditions for polyphenol extraction from mango seed kernels by using the Box–Behnken design (BBD) and response surface methodology (RSM). Moreover, the effect of the solvent-to-solid ratio (5:1 to 25:1, mL/g), extraction temperature (30–70 °C), and extraction time (60–120 min) on the polyphenol yield was investigated. The optimal conditions of a solvent-to-solid ratio of 12 (mL/g), extraction temperature of 53 °C, and extraction time of 97 min showed the maximum yield of dried extract. In optimal conditions, the extract contained a total phenolic content of 110.02 ± 0.50 mg gallic acid equivalent (GAE)/g, total flavonoids of 24.58 ± 0.09 mg quercetin equivalent (QE)/g, 64.21 ± 0.12% inhibition of DPPH, and 53.25 ± 0.23% ABTS radical scavenging. Moreover, the extract at 500 mg/mL concentration showed the highest anti-bacterial activity against pathogenic bacteria of Escherichia coli and Staphylococcus aureus. Gallic acid, mangiferin, rutin, ferulic acid, cinnamic acid, and quercetin were noted in mango seed kernel extract obtained at optimal extraction conditions. Overall, a rapid and optimal methodology is reported for extracting, identifying, and quantifying polyphenols from mango seed kernels. Full article
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31 pages, 8215 KB  
Article
ANSYS/LS-DYNA Simulation and Experimental Study of a Corrugated Hob-Type Laver Harvesting Device
by Yizhi Chang, Shuai Lv, Yazhou Yang, Shang Ni, Bin Xu, Guochen Zhang, Xiuchen Li, Hanbing Zhang, Qian Zhang, Hangqi Li, Hao Wu and Gang Mu
Appl. Sci. 2025, 15(24), 13271; https://doi.org/10.3390/app152413271 - 18 Dec 2025
Viewed by 298
Abstract
Harvesting of laver is an important link in the laver culture chain, and a new type of corrugated harvesting blade with a curved edge angle was designed to solve the problems of low cutting ratio in laver harvesting. The mechanical model of the [...] Read more.
Harvesting of laver is an important link in the laver culture chain, and a new type of corrugated harvesting blade with a curved edge angle was designed to solve the problems of low cutting ratio in laver harvesting. The mechanical model of the corrugated blade cutting laver was established to elucidate the dynamic characteristics of laver cutting under single-point support. Based on the measured biomechanical characteristic parameters of Porphyra yezoensis, a rigid-flexible coupling model of laver harvesting was established based on ANSYS/LS-DYNA2022R2. The Box–Behnken design (BBD) test method was used to study the influence of the main structural parameters of the corrugated blade on the harvesting of laver, and the optimal structural parameter combinations of the corrugated blade were determined as follows: a slip angle of 21°, blade inclination angle of 106°, and curved edge angle of 15°; the slip-cutting mowing force of the laver was 11.18 N and the tensile force was 1.4 N. A bench test was completed, and the results showed that the corrugated blade could be used for harvesting laver. The results showed that the average loss rate of the harvesting equipment was 1.85% and the average net recovery rate was 98.75% when the corrugated blade rotational speed was 900 rpm and the boat speed was 0.71 m/s; compared to the traditional straight-blade hob-type harvesting machine, the cutting force on laver has increased by 45.26%, and the tensile force has decreased by 68.35%, which satisfied the requirements of laver harvesting. This study provides theoretical and simulation model references for the design, analysis, and optimization of laver harvesting equipment. Full article
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16 pages, 1926 KB  
Article
Investigation of the Effects of Sodium Caseinate/Xanthan Gum Complexes on the Stability and Sustained Release of Acid Double Emulsions Using Box–Behnken Design
by Houria Bouziane, Soumia Seddari and Nadji Moulai-Mostefa
ChemEngineering 2025, 9(6), 141; https://doi.org/10.3390/chemengineering9060141 - 9 Dec 2025
Viewed by 348
Abstract
This study investigates the formulation and optimization of acid-stable water-in-oil-in-water (W/O/W) double emulsions stabilized by sodium caseinate (NaCN)–xanthan gum (XG) complexes, with the aim of developing a natural biopolymer-based delivery system exhibiting controlled release behavior. The emulsions were prepared at pH 4, and [...] Read more.
This study investigates the formulation and optimization of acid-stable water-in-oil-in-water (W/O/W) double emulsions stabilized by sodium caseinate (NaCN)–xanthan gum (XG) complexes, with the aim of developing a natural biopolymer-based delivery system exhibiting controlled release behavior. The emulsions were prepared at pH 4, and the effects of NaCN concentration, XG concentration, and primary fraction (PF) on the encapsulation efficiency (EE) and droplet size (DS) were systematically evaluated using response surface methodology (RSM) based on a Box–Behnken design (BBD). Microscopic and rheological analyses confirmed the formation of a rigid interfacial film around the droplets, leading to improved emulsion stability over one month of storage at 4, 25, and 40 °C. The release kinetics of chlortetracycline (CTC), used as a model drug, followed a Fickian diffusion mechanism, indicating efficient control of the release rate by the NaCN/XG interfacial complex. The optimized formulation (NaCN = 0.652%, XG = 0.339%, PF = 10%) yielded an encapsulation efficiency of 87.7% and a mean droplet size of 24.83 µm, demonstrating excellent predictive accuracy of the statistical model. The results highlight the potential of NaCN/XG complexes to produce acid-stable, biopolymer-based double emulsions capable of sustained release of bioactive compounds, making this system promising for food and pharmaceutical delivery applications. Full article
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23 pages, 3104 KB  
Article
Feasibility and Statistical Analysis of Sulfanilic Acid Degradation in a Batch Photo-Fenton Process
by Chao Chang, Mehrab Mehrvar and Zahra Parsa
Water 2025, 17(23), 3440; https://doi.org/10.3390/w17233440 - 4 Dec 2025
Viewed by 511
Abstract
Sulfanilic acid (SA) is a representative sulfonated aromatic amine commonly found in industrial effluents, posing significant risks to both human health and the ecosystem. Efficient and cost-effective treatment of SA-containing wastewater is crucial for sustainable environmental management. This study investigates the performance of [...] Read more.
Sulfanilic acid (SA) is a representative sulfonated aromatic amine commonly found in industrial effluents, posing significant risks to both human health and the ecosystem. Efficient and cost-effective treatment of SA-containing wastewater is crucial for sustainable environmental management. This study investigates the performance of the photo-Fenton process in degrading SA-containing wastewater. Three process variables are selected to study their effects on percent total organic carbon (%TOC) removal and final pH (pHFinal): initial total organic carbon concentration (TOC0) (150–250 mg/L), Fe2+ concentration (15–85 mg/L), and H2O2 concentration (1000–1500 mg/L). A combination of response surface methodology (RSM) and Box-Behnken design (BBD) is applied to examine both the individual and interactive effects of these variables. A total of 15 experimental trials are conducted, with the center point repeated three times. The results indicate significant interaction effects between Fe2+ and H2O2 concentrations on %TOC removal, while the interaction between TOC0 and H2O2 concentration notably influences pHFinal. The optimal operating parameters to maximize %TOC removal within 45 min of operation are determined as a TOC0 of 54.2 mg/L, an Fe2+ catalyst concentration of 33.7 mg/L, and an H2O2 concentration of 1403 mg/L. Under these conditions, the predicted %TOC removal and pHFinal were 89.2% and 2.93, respectively, which confirmed through validation experiments. Additionally, a correlation between pHFinal, TOC0, and final TOC concentration (TOCFinal) is observed, leading to the development of a linear model capable of predicting TOCFinal based on TOC0 and pHFinal within the experimental space. The latter finding facilitates online monitoring of the process progress. Full article
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36 pages, 18724 KB  
Article
Statistical Optimization of Graphene Nanoplatelet-Reinforced Epoxy Nanocomposites via Box–Behnken Design for Superior Flexural and Dynamic Mechanical Performance
by Júlia Mendes, Camila Prudente Magalhães, Letícia Vitorazi, Noemi Raquel Checca Huaman, Sergio Neves Monteiro, Teresa Gómez-del Río and Ulisses Oliveira Costa
Polymers 2025, 17(23), 3218; https://doi.org/10.3390/polym17233218 - 3 Dec 2025
Viewed by 530
Abstract
Graphene nanoplatelets (GNPs) are efficient nanofillers for improving the mechanical and thermal properties of epoxy resins due to their high stiffness, aspect ratio, and interfacial reinforcement ability. This study employs a three-factor, three-level Box–Behnken Design (BBD) to investigate the combined effect of GNP [...] Read more.
Graphene nanoplatelets (GNPs) are efficient nanofillers for improving the mechanical and thermal properties of epoxy resins due to their high stiffness, aspect ratio, and interfacial reinforcement ability. This study employs a three-factor, three-level Box–Behnken Design (BBD) to investigate the combined effect of GNP content (0.5–3.5 wt.%), hardener concentration (9–17 phr), and post-curing temperature (30–120 °C) on DGEBA/TETA epoxy nanocomposites. Mechanical, thermal, dynamic mechanical, and morphological characterizations (flexural testing, DMA, TGA, DSC, FTIR, SEM, TEM, and AFM) established structure–property correlations. The optimized formulation (2.0 wt.% GNP, 9 phr hardener, and 120 °C post-curing) exhibited superior reinforcement, with flexural strength of 322.0 ± 12.8 MPa, flexural modulus of 9.7 ± 0.5 GPa, and strain at break of 4.4 ± 0.2%, corresponding to increases of 197%, 155%, and 91% compared with neat epoxy. DMA confirmed a rise in storage modulus from 2.9 to 7.5 GPa and a Tg of 143 °C, while TGA showed a 15 °C improvement in thermal stability. Statistical analysis identified post-curing temperature as the dominant factor governing Tg, stiffness, and thermal stability, with synergistic contributions from GNP content and hardener concentration to the overall network performance. These results surpass those of GO- and CNT-based systems, demonstrating the superior efficiency of GNPs under optimized conditions. The proposed approach provides a robust pathway for developing epoxy nanocomposites with low filler content and enhanced multifunctional performance. Full article
(This article belongs to the Special Issue Polymer Composites: Structure, Properties and Processing, 2nd Edition)
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17 pages, 1127 KB  
Article
Green, Ultrasound-Assisted Extraction for Carvacrol-Rich Origanum dubium Extracts: A Multi-Response Optimization Toward High-Value Phenolic Recovery
by Magda Psichoudaki, Yiannis Sarigiannis and Evroula Hapeshi
Molecules 2025, 30(23), 4620; https://doi.org/10.3390/molecules30234620 - 1 Dec 2025
Viewed by 450
Abstract
Origanum dubium, mainly grown in the Mediterranean region, is one of the less extensively studied species among the oregano class. Oregano species are recognized for their significant pharmaceutical properties, primarily attributed to carvacrol and other phenolic compounds. The goal of this study was [...] Read more.
Origanum dubium, mainly grown in the Mediterranean region, is one of the less extensively studied species among the oregano class. Oregano species are recognized for their significant pharmaceutical properties, primarily attributed to carvacrol and other phenolic compounds. The goal of this study was to establish a sustainable method for the extraction of carvacrol, total phenolic, and total flavonoid compounds (TPC and TFC, respectively). Pulse-mode ultrasonic-assisted extraction (UPAE) was employed, using ethanol–water mixtures as green solvents, for the extraction of the bioactive compounds from the plant material. A Box–Behnken design (BBD) coupled with Response Surface Methodology (RSM) was applied to optimize the extraction process with respect to the extraction temperature, extraction time, ethanol-to-water ratio of the solvent and power amplitude of the ultrasonic processor. The responses of carvacrol (determined by HPLC-PDA), TPC, and TFC (determined by spectrometric methods) were evaluated by RSM. The statistical model identified the optimal extraction conditions, which were a combination of increased extraction temperature (70 °C) for 26 min with an intermediate ethanol–water ratio (60%) at the maximum processor’s power amplitude (100%). These conditions led to the optimal response of the three measured parameters. The optimized parameters represent a green and efficient approach to obtain bioactive-enriched extracts from Origanum dubium, suitable for potential applications in functional foods, preservatives, or other applications. Full article
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29 pages, 4612 KB  
Article
Maximizing Anilinium Ionic Solid Mineralization Using RSM: A COD and TOC Study of Photocatalytic Degradation
by Vuyolwethu Tokoyi, Emmanuel Kweinor Tetteh and Nirmala Deenadayalu
Catalysts 2025, 15(12), 1109; https://doi.org/10.3390/catal15121109 - 28 Nov 2025
Cited by 1 | Viewed by 512
Abstract
The toxicity of anilinium-based compounds continues to increase with their prevalence in industrial effluents, posing a significant threat to aquatic ecosystems. To address this, a photocatalytic system comprising UV/H2O2/Ti-MOF was developed and optimized for the degradation of ionic solids [...] Read more.
The toxicity of anilinium-based compounds continues to increase with their prevalence in industrial effluents, posing a significant threat to aquatic ecosystems. To address this, a photocatalytic system comprising UV/H2O2/Ti-MOF was developed and optimized for the degradation of ionic solids (ISs). The synthesized Ti-MOF was characterized for its absorption and energy transmission capacity, morphological and elemental properties, thermal stability, and phase behavior, with UV-Vis, SEM-EDX, XRD, and TGA-DSC, respectively. The degradation experiment under UV irradiation in the presence of hydrogen peroxide (H2O2) and Ti-MOF illustrated an enhanced catalytic efficiency of the system when compared to blank experiments without the MOF catalyst. A response surface methodology (RSM) based on the Box–Behnken design (BBD) was then employed to evaluate and optimize key parameters, including IS concentration (150–650 mg/mL), time (1–5 h), and H2O2 (1–5%), in terms of the degradation efficiency. At optimal conditions for an IS concentration of 650 mg/mL, time of 3 h, and H2O2 concentration of 5%, an actual degradation efficiency of 57.5% was obtained, with 55.52% predicted by the RSM model at a 95% confidence level. Analysis of variance revealed statistical significance in the response models, with a coefficient of determination (R2) greater than 0.94, in agreement with the adjusted R2 value of less than 0.89. Kinetic analysis revealed that the degradation followed pseudo-first-order kinetics, exhibiting good reusability over multiple cycles. The study shows the potential of the UV/H2O2/Ti-MOF system as a sustainable and highly efficient approach to treating recalcitrant IS pollutants in wastewater. Full article
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17 pages, 931 KB  
Article
Tissue Microarray-Based Digital Spatial Profiling of Benign Breast Lobules and Breast Cancers: Feasibility, Biological Coherence, and Cross-Platform Benchmarks
by Mark E. Sherman, Jodi C. Carter, Robert A. Vierkant, Melody Stallings-Mann, Laura Pacheco-Spann, Stacey J. Winham, Celine M. Vachon, Chen Wang, Matthew R. Jensen, Melissa A. Troester, Amy C. Degnim, E. Aubrey Thompson, Jennifer Kachergus, Ji Shi and Derek C. Radisky
Cancers 2025, 17(23), 3797; https://doi.org/10.3390/cancers17233797 - 27 Nov 2025
Viewed by 482
Abstract
Background: Discovering risk biomarkers in small benign breast disease (BBD) biopsies is constrained by scarce tissue and microanatomic heterogeneity of terminal duct lobular units (TDLUs). We tested whether tissue-sparing tissue microarray (TMA)–based Digital Spatial Profiling (DSP) can deliver reproducible, biologically coherent protein measurements [...] Read more.
Background: Discovering risk biomarkers in small benign breast disease (BBD) biopsies is constrained by scarce tissue and microanatomic heterogeneity of terminal duct lobular units (TDLUs). We tested whether tissue-sparing tissue microarray (TMA)–based Digital Spatial Profiling (DSP) can deliver reproducible, biologically coherent protein measurements across benign lobules and breast cancers (BCs), and how well DSP aligns with standard immunoassays. Methods: We performed a pilot using tissues from the Mayo Clinic BBD cohort using TMAs representing four contexts: terminal duct lobular units (TDLUs) from BBD biopsies preceding BC and matched BBD-controls, subsequent BCs, and BC-associated TDLUs. We profiled 79 proteins by DSP (37 retained after QC) and benchmarked against chromogenic IHC and OPAL immunofluorescence. Reproducibility was evaluated using intraclass correlation coefficients (ICCs), cross-platform agreement (weighted kappa), marker correlations, and mixed-effects models with false-discovery-rate (FDR) control. Results: We analyzed 368 BBD-TDLU cores (88 cases; 88 controls), 204 BC cores and 110 BC-associated TDLU cores. ICCs were highest in BC tissues, and lower in BC-associated TDLUs and BBD-TDLUs. Agreement was slight–to-fair in TDLUs but moderate (ER/PR) to substantial (BCL2) in BC. DSP recapitulated expected immunologic correlations (CD45 with T-cell, B-cell, and macrophage markers) and tissue-type gradients (BC > BC-associated TDLUs > BBD-TDLUs). Exploratory case–control differences in BBD-TDLUs did not persist after FDR control. Conclusions: TMA-based DSP is feasible in archival breast tissues and yields biologically coherent, cross-platform-benchmarked profiles that are particularly robust in BC, while conserving scarce TDLUS and clarifying current limits of single-marker risk stratification from benign lobules. These data provide a foundation for refined sampling and expanded panels in future TDLU-focused studies. Full article
(This article belongs to the Special Issue Breast Cancer Biomarkers and Clinical Translation: 2nd Edition)
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21 pages, 4210 KB  
Article
Formulation Optimization of Sinomenine-Loaded Nanostructured Lipid Carriers Based on Molecular Dynamics Simulations and Evaluation of Pharmacological Efficacy in Rheumatoid Arthritis
by Xinmeng Lin, Xuehui Ding, Yunlu Zou, Mingyang Sheng, Jingying Li, Yinghao Xiao, Jiahui Xu, Jixin Li, Lin Wang and Wei Xu
Int. J. Mol. Sci. 2025, 26(23), 11449; https://doi.org/10.3390/ijms262311449 - 26 Nov 2025
Viewed by 376
Abstract
Sinomenine (SIN), as a potential therapeutic agent for rheumatoid arthritis (RA), exhibits advantages such as non-addictiveness. However, its low aqueous solubility and poor membrane permeability result in limited bioavailability, which compromises its therapeutic efficacy in conventional formulations. To address these limitations, this study [...] Read more.
Sinomenine (SIN), as a potential therapeutic agent for rheumatoid arthritis (RA), exhibits advantages such as non-addictiveness. However, its low aqueous solubility and poor membrane permeability result in limited bioavailability, which compromises its therapeutic efficacy in conventional formulations. To address these limitations, this study developed nanostructured lipid carriers (NLCs) with optimized formulations and evaluated their pharmacodynamic performance. Molecular dynamics (MD) simulations were employed to screen excipients and analyze the blending system. SIN-loaded NLCs (SIN-NLCs) were prepared using high-pressure homogenization. Single-factor experiments were performed to optimize the processing conditions of SIN-NLCs. A three-factor, three-level experimental design was established using Design Expert 13 software and further refined through Box–Behnken design (BBD) response surface methodology. This approach enabled cross-validation between molecular dynamics simulations and conventional experiments. Additionally, transmission electron microscopy (TEM) was used to examine morphology, while X-ray diffraction analysis (XRD), differential scanning calorimetry (DSC), and Fourier-transform infrared spectroscopy (FT-IR) were employed to characterize the physicochemical state of SIN in NLCs. Pharmacodynamic evaluation was performed in a RA model, supplemented by single-pass intestinal perfusion study (SPIP). Initially, MD simulations were employed to evaluate drug–excipient compatibility, thereby identifying suitable formulation excipients: stearic acid and oleic acid as lipid components, and Poloxamer 188 as the surfactant. Subsequently, single-factor experiments combined with the BBD response surface methodology were employed to optimize preparation parameters, establishing the ideal process conditions: drug-to-lipid ratio of 1:42, solid-to-liquid lipid ratio of 5.58:4.42, and Poloxamer 188 concentration of 1.20%. The optimized SIN-NLCs exhibited spherical particles with uniform dispersion and no agglomeration. The average particle size was 173.90 ± 1.97 nm, with a polydispersity index (PDI) of 0.18 ± 0.01, a zeta potential of −22.65 ± 0.60 mV, and an encapsulation efficiency (EE%) of 91.27% ± 0.01. Spectroscopic analysis confirmed that SIN existed in an amorphous state and was successfully encapsulated within the lipid matrix. In vivo, SIN-NLCs significantly reduced paw swelling and arthritis scores in model rats, promoted synovial cell proliferation, and suppressed inflammatory cell infiltration. The intestinal perfusion study demonstrated that SIN-NLCs were primarily absorbed in the small intestine and markedly enhanced drug permeability. SIN-NLCs represent an effective delivery system to enhance the solubility and permeability of SIN. This study provides a novel strategy and methodology for the formulation of hydrophobic drugs, offering valuable insights for future pharmaceutical development. Full article
(This article belongs to the Section Molecular Pharmacology)
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Article
Calibration of DEM Model for Root–Soil Breakage in Winter Wheat During the Regreening Stage
by Yalei Han, Lin Ling, Bingxin Yan, Rui Liu, Jianjun Dong, Xiaofei An, Yanxin Yin, Zhijun Meng, Liwei Li and Guangwei Wu
Agriculture 2025, 15(23), 2427; https://doi.org/10.3390/agriculture15232427 - 25 Nov 2025
Viewed by 325
Abstract
A critical challenge in the design optimization of subsoiling and deep-fertilization implements for root pruning during the regreening stage of winter wheat lies in the lack of a validated root–soil discrete element (DEM) model. This study analyzed and measured the geometric morphology of [...] Read more.
A critical challenge in the design optimization of subsoiling and deep-fertilization implements for root pruning during the regreening stage of winter wheat lies in the lack of a validated root–soil discrete element (DEM) model. This study analyzed and measured the geometric morphology of winter wheat root systems in soil during the regreening stage and constructed corresponding geometric models. Based on the DEM framework, a Hertz–Mindlin with bonding model (HMBM) for the wheat root system was developed. The parameters of this model were calibrated using Plackett–Burman (PB) and Box–Behnken design (BBD) methods. Soil particles were simplified to spherical shapes according to particle size distribution analysis, and a discrete element model of soil particles using the Johnson–Kendall–Roberts (JKR) contact model was established. Soil model parameters at three different moisture contents were calibrated with the angle of repose (AOR) as the target response. The accuracy of the root bonding model and parameters, as well as the root–soil contact model and parameters, was verified through pull-out tests and corresponding DEM simulations of single roots in soil. Comparison between experimental and simulated pull-out results confirmed the validity of the developed root–soil DEM model for winter wheat during the regreening stage. This study provides a solid theoretical and experimental basis for future research on root cutting and tillage operations in winter wheat. Full article
(This article belongs to the Section Agricultural Soils)
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