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22 pages, 1220 KB  
Article
Confidence-Gated Triage: Coupling Drug–Target Affinity and ADME-T Predictions to Prioritise Compounds for Docking
by Gozde Yalcin Ozkat
Pharmaceuticals 2026, 19(9), 1445; https://doi.org/10.3390/ph19091445 - 11 Sep 2026
Abstract
Background/Objectives: Molecular docking and molecular dynamics are accurate but computationally expensive, so the compounds entering them must be chosen well. The present study proposes CADT, a confidence-gated affinity–ADME-T docking-triage cascade that decides which compounds are worth docking. Methods: The gate combines [...] Read more.
Background/Objectives: Molecular docking and molecular dynamics are accurate but computationally expensive, so the compounds entering them must be chosen well. The present study proposes CADT, a confidence-gated affinity–ADME-T docking-triage cascade that decides which compounds are worth docking. Methods: The gate combines an ensemble estimate of drug–target affinity with its epistemic uncertainty and an applicability-domain check. Predicted absorption, distribution, metabolism, excretion, and toxicity (ADME-T) developability is added as a soft flag. All components were trained on openly licensed Therapeutics Data Commons data. Ranking was assessed on the DAVIS and KIBA kinase panels and on BindingDB Kd, under three split protocols over five seeds. The routing decision was then examined against molecular docking, in which 407 compound–target pairs were docked into six withheld kinases. Results: A Morgan-fingerprint gradient-boosting model reached a concordance index of 0.866±0.006, with 0.813 for unseen targets and 0.720 for unseen drugs. Across eight ADME-T endpoints, the area under the ROC curve ranged from 0.65 to 0.91. On the cold-target split the cascade reduced the compounds sent to docking by 86% while retaining 61% of the true strong binders. Docking measured that reduction at 85%, and at an equal budget, the gate enriched true binders more than the docking score itself. Conclusions: A transparent pre-screen can prioritise compounds ahead of structure-based calculation at a fraction of its cost. However, the uncertainty and applicability-domain terms act as an abstention mechanism rather than an accuracy gain, and that abstention is not free. Full article
(This article belongs to the Special Issue Computer-Aided Drug Design and Drug Discovery, 2nd Edition)
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23 pages, 1285 KB  
Article
Time-Dependent Reliability Analysis and Maintenance Strategy for Fully Enclosed High-Speed Railway Noise Barriers
by Ming Li, Jiahao Ouyang, Wenlong Zhao, Tao Huang, Didi Hao, Xudong Wang, Miaomiao Peng, Changqing Miao and Chunfeng Wan
Appl. Sci. 2026, 16(18), 9046; https://doi.org/10.3390/app16189046 - 11 Sep 2026
Abstract
To assess the long-term fatigue safety of fully enclosed high-speed railway noise barriers and to optimize maintenance strategies, a time-dependent probabilistic reliability framework focusing on fatigue damage and bolt preload relaxation is developed. The stochastic nature of train velocity, load scaling factor, and [...] Read more.
To assess the long-term fatigue safety of fully enclosed high-speed railway noise barriers and to optimize maintenance strategies, a time-dependent probabilistic reliability framework focusing on fatigue damage and bolt preload relaxation is developed. The stochastic nature of train velocity, load scaling factor, and daily traffic volume is explicitly considered. Using the 350 km/h two-train passing scenario as the reference case, the stress time history at the column base is extracted. The damage per train pass is computed via rain-flow counting and Miner’s rule, and the time-dependent reliability indices are obtained through parallel Monte Carlo simulations (104 samples, daily time steps over 50 years). The results show that the fatigue failure probability at 50 years is 0.11%, with a reliability index β ≈ 3.06 and a mean cumulative damage of 0.325; failures are concentrated in the 40–50-year period, and train velocity is identified as the most influential factor. Furthermore, 98.3% of the bolts require retightening within 50 years, with a median intervention time of 18.2 years—far earlier than the occurrence of fatigue failure. The joint system analysis reveals that the overall system failure is dominated by bolt relaxation; when the coupling effect is included, the fatigue failure probability increases to 0.18%. A phased maintenance strategy is accordingly proposed: monitor preload during years 0–15, perform comprehensive re-torquing during years 15–30, and intensify fatigue inspections during years 30–50. The proposed methodology provides a quantitative basis for life-cycle safety assessment and operational decision-making for fully enclosed high-speed railway noise barriers. Full article
(This article belongs to the Section Civil Engineering)
20 pages, 1079 KB  
Article
Engineering Control Readiness and Airborne Fungal Contamination in Forensic Pathology Facilities in Gauteng, South Africa: A Cross-Sectional Occupational Hygiene Study
by Tanusha Singh, Lufuno Muleba, Zubaydah Kirsten, Lesedi Victoria Monaiwa and Dikeledi Matuka
Hygiene 2026, 6(3), 63; https://doi.org/10.3390/hygiene6030063 - 11 Sep 2026
Abstract
Airborne fungal contamination poses an occupational health risk in environments where engineering-controls are essential for maintaining indoor air quality. However, evidence integrating assessments of engineering-control readiness and airborne fungal contamination in forensic pathology facilities remains limited, particularly in low- and middle-income countries. This [...] Read more.
Airborne fungal contamination poses an occupational health risk in environments where engineering-controls are essential for maintaining indoor air quality. However, evidence integrating assessments of engineering-control readiness and airborne fungal contamination in forensic pathology facilities remains limited, particularly in low- and middle-income countries. This study assessed engineering-control readiness, indoor environmental conditions, and airborne fungal contamination in three public forensic pathology facilities in Gauteng Province, South Africa, and explored factors associated with airborne fungal contamination. A cross-sectional occupational hygiene study was conducted in three public forensic pathology facilities. Engineering-control readiness was assessed using structured walkthroughs and summarised using a study-specific Engineering Control Readiness Index (ECRI). Indoor temperature, relative humidity, carbon dioxide (CO2), and airborne fungal concentrations were measured concurrently. Duplicate fungal air samples were collected at predefined locations over three consecutive sampling days. For the primary regression analysis, duplicate fungal measurements were averaged within each physical sampling location and sampling day, yielding 54 indoor location-day observations from 18 physical indoor sampling locations. Multivariable log-linear regression included facility, functional work area, area-specific ventilation and environmental-control deficiency, temperature, relative humidity and CO2, with cluster-robust inference accounting for repeated measurements within physical sampling locations. Overall ECRI scores ranged from 50.1% to 53.9%, with ventilation and environmental control representing the weakest domain. Airborne fungal concentrations differed significantly between facilities, with FPF G recording the highest indoor median concentration (740 CFU/m3). Cladosporium spp. and Penicillium spp. predominated. After adjustment for facility, functional work area and environmental conditions and accounting for repeated sampling, engineering-control deficiency was not independently associated with fungal concentration (adjusted change per 10-percentage-point increase: −16.3%; 95% CI: −70.9% to 140.9%; p = 0.727). Substantial engineering-control deficiencies and airborne fungal contamination were identified; however, the independent contribution of engineering-control deficiency could not be estimated with adequate precision in this three-facility study. Larger longitudinal studies incorporating objective ventilation-performance measurements are required to clarify the contribution of specific engineering controls to occupational bioaerosol exposure. Full article
(This article belongs to the Section Occupational Hygiene)
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27 pages, 21151 KB  
Article
Multi-Trophic Biological Responses and Ecological Integrity Diagnosis Along a Water-Quality Pollution Gradient in the Lixiahe Plain River Network, China
by Yue Xin, Tian Cheng, Geng Niu and Hao Wang
Sustainability 2026, 18(18), 9371; https://doi.org/10.3390/su18189371 - 11 Sep 2026
Abstract
Plain river networks are weakly flushed and frequently regulated, which can decouple instantaneous water quality from biological responses. We integrated physicochemical variables, phytoplankton, zooplankton, benthic macroinvertebrates and fish environmental DNA (eDNA) to diagnose ecological condition in the Lixiahe plain river network, China. Regional [...] Read more.
Plain river networks are weakly flushed and frequently regulated, which can decouple instantaneous water quality from biological responses. We integrated physicochemical variables, phytoplankton, zooplankton, benthic macroinvertebrates and fish environmental DNA (eDNA) to diagnose ecological condition in the Lixiahe plain river network, China. Regional water quality was assessed at 62 sites, and coupled analyses used 36 sites with complete multi-trophic data. Moderate pollution accounted for 62.90% of classified sites, with total nitrogen as the principal pressure. After Benjamini–Hochberg correction, seven independent associations with primary biological indicators remained significant, mainly linking TOC and TDS with planktonic metrics; the TOC-MEII correlation was treated separately as a non-independent composite association. Mean fish eDNA observed OTU richness declined to 22.33 at the three severely polluted matched sites, although grade-wise contrasts were descriptive because both extreme groups contained only three sites. Adjusted R2 values for the four RDA models ranged from 9.8% to 11.4%; all overall fixed-seed permutation tests were significant (p = 0.0002–0.0298), indicating a detectable but limited water-quality signal. The study-specific MEII ranged from 29.50 to 67.42 (mean 48.04). These results show asynchronous trophic responses and support MEII as a preliminary within-survey screening tool that should be interpreted with its component sub-indices rather than as a calibrated reference-condition index. Full article
(This article belongs to the Section Sustainable Water Management)
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16 pages, 362 KB  
Article
Evaluation of Grazing Behavior and Its Associations with Obesity, Emotion Regulation Difficulties, and Problematic Smartphone Use in Adolescents with Essential Hypertension
by Gunes Isik, Cansu Mercan Isik and Masum Ozturk
Children 2026, 13(9), 1233; https://doi.org/10.3390/children13091233 - 11 Sep 2026
Abstract
Background: This study aimed to compare grazing behavior scores between adolescents with essential hypertension (HTN) and controls. It also investigated the associations of grazing behavior with obesity, emotion regulation difficulties (ERD), problematic smartphone use, and screen time. Methods: This cross-sectional case–control study enrolled [...] Read more.
Background: This study aimed to compare grazing behavior scores between adolescents with essential hypertension (HTN) and controls. It also investigated the associations of grazing behavior with obesity, emotion regulation difficulties (ERD), problematic smartphone use, and screen time. Methods: This cross-sectional case–control study enrolled 60 adolescents with essential HTN and 60 controls selected via frequency matching based on age and sex, all aged 12–18 years. The diagnosis of essential HTN was confirmed using 24-h ambulatory blood pressure monitoring (ABPM). Grazing behavior, ERD, problematic smartphone use, screen time and body mass index (BMI) were assessed in all participants. Group comparisons and associations between grazing behavior and the study variables were analyzed. Results: The essential HTN and control groups were comparable with respect to age and sex distribution (p > 0.05). The mean BMI in the essential HTN group was 31.18 ± 6.81 kg/m2, which was significantly higher than that in the control group (23.35 ± 4.47 kg/m2) (p < 0.001). A significant positive correlation was found between total Grazing Questionnaire (GQ) scores and BMI (r = 0.252; p = 0.006), ERD (r = 0.187; p = 0.041), and problematic smartphone use (r = 0.315; p < 0.001). A statistically significant difference was observed between the essential HTN and control groups in total GQ scores [F(1, 117) = 4.85, p = 0.030, η2p = 0.040]. After adjustment for BMI, participants with hepatic steatosis had significantly higher total GQ scores (p = 0.019, η2p = 0.138), Grazing Behaviors subscale scores (p = 0.046, η2p = 0.107), and Uncontrollability subscale scores (p = 0.025, η2p = 0.123) than those without hepatic steatosis. Conclusions: Adolescents with essential HTN had higher grazing behavior scores than controls after adjustment for BMI. Grazing behavior was also associated with ERD and problematic smartphone use across the study sample. The findings regarding grazing behavior and hepatic steatosis warrant cautious interpretation, as the subgroup analysis was exploratory and included a relatively small number of participants. Full article
(This article belongs to the Section Pediatric Nephrology & Urology)
19 pages, 294 KB  
Article
Association Between Masticatory Performance and Nutritional Risk in Older Adults Wearing Removable Dentures: A Cross-Sectional Study Using Composite Nutritional Indices
by Toshiro Hirai, Yuka Abe, Ranko Kawata, Yuriko Kusumoto, Haruka Sako, Takashi Matsumoto, Deepesh Kumar Gupta and Kazuyoshi Baba
J. Clin. Med. 2026, 15(18), 7074; https://doi.org/10.3390/jcm15187074 - 11 Sep 2026
Abstract
Background/Objectives: Impaired masticatory function may compromise nutritional status in older adults wearing removable dentures, but its associations with nutritional risk indices remain unclear. This study aimed to examine associations between masticatory performance and risk defined by the Geriatric Nutritional Risk Index (GNRI), [...] Read more.
Background/Objectives: Impaired masticatory function may compromise nutritional status in older adults wearing removable dentures, but its associations with nutritional risk indices remain unclear. This study aimed to examine associations between masticatory performance and risk defined by the Geriatric Nutritional Risk Index (GNRI), Prognostic Nutritional Index (PNI), and Controlling Nutritional Status (CONUT) score. Methods: This cross-sectional study included 179 outpatients aged ≥60 years wearing removable dentures. Masticatory performance was quantified by glucose concentration after chewing a gummy jelly. GNRI-defined risk was the prespecified primary outcome; PNI- and CONUT-defined risk were secondary. Logistic regression used Model 1 adjusted for age, sex, and comorbidity and an exploratory Model 2 with additional oral, dietary, and socioeconomic covariates. Results: Mean age was 74.1 ± 6.9 years, and 60.9% were female. Nutritional risk was identified in 21.8%, 48.6%, and 31.3% using the GNRI, PNI, and CONUT, respectively. Higher masticatory performance, indicated by higher glucose concentration, was associated with lower odds of GNRI-defined nutritional risk in both the primary parsimonious model (OR per 10 mg/dL increase, 0.89; 95% CI, 0.82–0.95; p = 0.001) and the exploratory additionally adjusted model (OR, 0.89; 95% CI, 0.82–0.96; p = 0.002). Associations with PNI- and CONUT-defined risk were not consistent across models. Conclusions: Lower masticatory performance was consistently associated with higher GNRI-defined risk, whereas comparable associations were not consistently observed for PNI- or CONUT-defined risk. Objective assessment of masticatory performance may provide clinically relevant information regarding GNRI-defined nutritional risk in older removable denture wearers. Full article
(This article belongs to the Section Dentistry, Oral Surgery and Oral Medicine)
31 pages, 9084 KB  
Article
Coptidis Rhizoma for Obesity, Diabetes, and Dyslipidemia: An Integrated Meta-Analysis and In Silico Study
by Chae-Yeon Kang, Yeon-Joo Yoo, Ji-Han Kim, Seung-Hoon Yoo, Hyun-Joo Kim, Min-Seong Lee and Byung-Cheol Lee
Int. J. Mol. Sci. 2026, 27(18), 8109; https://doi.org/10.3390/ijms27188109 - 11 Sep 2026
Abstract
Obesity, diabetes, and dyslipidemia form an interconnected metabolic disease cluster driven by insulin resistance and chronic inflammation. This study evaluated the clinical efficacy and multi-target mechanisms of Coptidis Rhizoma for these metabolic disorders through an integrated systematic review, meta-analysis of randomized controlled trials [...] Read more.
Obesity, diabetes, and dyslipidemia form an interconnected metabolic disease cluster driven by insulin resistance and chronic inflammation. This study evaluated the clinical efficacy and multi-target mechanisms of Coptidis Rhizoma for these metabolic disorders through an integrated systematic review, meta-analysis of randomized controlled trials (RCTs), network pharmacology, and molecular docking. Meta-analysis of 19 RCTs (n = 1718) demonstrated that Coptidis-containing formulations, primarily as adjunctive therapy, significantly improved primary clinical endpoints across all three metabolic conditions: body mass index (BMI: SMD = −0.72, 95% CI [−1.00, −0.44], p < 0.00001), glycated hemoglobin (HbA1c: SMD = −0.77, 95% CI [−1.07, −0.47], p < 0.00001), and low-density lipoprotein cholesterol (LDL-C: SMD = −1.10, 95% CI [−1.57, −0.62], p < 0.00001). Network analysis revealed shared targets enriched in lipid metabolism, inflammatory signaling, and PI3K-Akt/MAPK cascades. Molecular docking demonstrated favorable structural compatibility and predicted docking scores (ranging from −7.1 to −9.5 kcal/mol) of berberine toward key hub proteins, including PIK3CA, JAK2, MAOA, and PARP1. Consequently, Coptidis Rhizoma provides tangible clinical benefits across interconnected metabolic outcomes via the multi-target regulation of inflammatory and insulin signaling pathways. Clinically, Coptidis-containing formulations show promise as a complementary adjunct to conventional metabolic therapies, though future large-scale, standardized RCTs remain necessary to confirm long-term safety and optimize dosing regimens. Full article
(This article belongs to the Special Issue Medicinal Plant Resources—from Molecular Studies to Sustainable Use)
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20 pages, 791 KB  
Article
Analytical and Clinical Evaluation of a Fully Automated Direct-from-Whole-Blood Multiplex PCR Assay Using Large-Volume Reverse Elution for Rapid Bloodstream Infection Diagnosis
by Chi-Sheng Tai, Hsing-Yi Chung, Tai-Han Lin, Chih-Kai Chang, Cherng-Lih Perng, Hung-Sheng Shang and Ming-Jr Jian
Antibiotics 2026, 15(9), 896; https://doi.org/10.3390/antibiotics15090896 - 11 Sep 2026
Abstract
Background/Objectives: Prompt identification of bloodborne pathogens and their antimicrobial resistance is critical for effective sepsis management. Direct molecular testing of blood offers faster results than blood culture; however, its clinical utility has been limited by suboptimal sensitivity and procedural complexity. This study evaluated [...] Read more.
Background/Objectives: Prompt identification of bloodborne pathogens and their antimicrobial resistance is critical for effective sepsis management. Direct molecular testing of blood offers faster results than blood culture; however, its clinical utility has been limited by suboptimal sensitivity and procedural complexity. This study evaluated an automated rapid multiplex PCR assay (BPID® system) and compared its performance with gold-standard methods. Methods: This was a preliminary, single-centre diagnostic-agreement study. Forty-three whole-blood samples were collected from patients with suspected bloodstream infection at Tri-Service General Hospital, Taipei, Taiwan, between January 2025 and January 2026, and were analysed. Three molecular methods and two culture-based methods were compared: the BPID® system, a Qiagen®-based workflow, the BioFire® FilmArray® BCID2 panel, blood culture, and MALDI-TOF MS identification. Positive percent agreement (PPA) was calculated at the organism level against a composite reference standard. Analytical sensitivity (limit of detection, LoD) was assessed in whole blood spiked with serial dilutions of ten reference organisms. Results: The composite reference standard yielded 47 reference-positive organisms across 42 samples. The BPID® system achieved a PPA of 95.74% (95% CI, 85.8–98.8), numerically similar to the post-culture BCID2 panel (93.62%; p = 1.00, exact McNemar test), and higher than the Qiagen® workflow (72.34%; p = 0.001), blood culture (72.34%; p = 0.007), and MALDI-TOF MS (74.47%; p = 0.013). In a sensitivity analysis using a composite reference standard from which the index test was excluded, 46 organisms remained reference-positive and the PPA of the BPID® system was 95.65% (44/46; 95% CI, 85.5–98.8), again numerically similar to the BCID2 panel (93.48%; p = 1.00). For antimicrobial resistance determinants covered by both panels, the BPID® system reproduced the BCID2 determinant profile in all 16 specimens in which such a determinant was reported (100%), versus 10 of 16 specimens (62.5%) for the Qiagen® method. Confirmed LoD values for the BPID® system were 0.67–20.81 CFU/mL, an 8.8- to 24.3-fold improvement over the Qiagen® method (6.51–224.61 CFU/mL). Conclusions: The automated BPID® system substantially improves PCR-based diagnostic sensitivity for bacteremia and, by operating directly on whole blood, removes the culture-incubation step that post-culture molecular panels require. Because the study was not designed as an equivalence or non-inferiority trial and evaluated only 43 specimens, the similar agreement observed for the BPID® system and the BCID2 panel should not be interpreted as demonstrated equivalence; these findings should be regarded as a preliminary clinical evaluation requiring confirmation in larger multicentre studies that also enrol culture-negative and uninfected controls. Full article
25 pages, 1932 KB  
Article
Climatic and Topographic Controls on Machine Learning-Based Rainfall Forecast Errors in a Tropical Monsoon Basin
by Jumadi Jumadi, Supari Supari, Munajat Tri Nugroho, Danardono Danardono, Yuli Priyana, Lam Kuok Choy, Fateen Nabilla Rasli, Ayodya Rido Nugraha, Md Enamul Huq, Farha Sattar, Muhammad Nawaz and Lee Hoong Pin
Earth 2026, 7(5), 149; https://doi.org/10.3390/earth7050149 - 11 Sep 2026
Abstract
Conventional evaluations of rainfall prediction models rely on average accuracy, often masking the conditions, locations and causes of model failure and reduced reliability. This study proposes a paradigm shift from conventional average-accuracy benchmarking toward failure-aware forecast-error diagnosis in the Bengawan Solo River Basin, [...] Read more.
Conventional evaluations of rainfall prediction models rely on average accuracy, often masking the conditions, locations and causes of model failure and reduced reliability. This study proposes a paradigm shift from conventional average-accuracy benchmarking toward failure-aware forecast-error diagnosis in the Bengawan Solo River Basin, a tropical monsoon river basin in Indonesia with moderate topographic gradients (grid elevations span ≈ 300–650 m). Methodologically, forecasts from previously published models are treated as fixed inputs and their errors are modelled as the response variable, so the analysis diagnoses when and where models fail rather than retraining them. By treating forecast errors as response variables, rather than as random residuals, this study analyses 345,180 model–grid records–month records from ten individual models (RF, XGB, LGBM, SVR, MLP, LSTM, GRU, TCN, CNN, Transformer) and one best ensemble model (Ensemble_Q, a stacking of RF, XGB, SVR, MLP, LGBM, LSTM, GRU, TCN, CNN, Transformer) against observed CHIRPS (Climate Hazards Group InfraRed Precipitation with Station data) precipitation, seasonal phase, ENSO and IOD regimes (El Niño–Southern Oscillation and Indian Ocean Dipole, respectively), the MJO index (Madden–Julian Oscillation) as an additional analysis, and elevation as a topographic control, using log-error models, high-error logistic regression, interaction tests, and block bootstrap validation (N = 1000), false discovery rate, and spatial statistics. Results indicate that prediction errors are not random but are systematically controlled: the Transition II phase increases log-error by 245% (pooled log-error model) and raises the odds of a high-error event roughly 40-fold relative to the dry season; La Niña conditions amplify errors by 41% and the odds of a high-error event by 3.3 times (though this ENSO signal is largely entangled with co-occurring Negative-IOD months), and every 100 m increase in elevation increases errors by 26%, with errors forming distinct spatial clusters (Moran’s I = 0.78; p = 0.001). Ensemble_Q outperforms the baseline on an aggregate basis (mean absolute error, MAE = 54.10 mm) but still experiences error amplification under these conditions, while spatial deep-learning architectures (TCN, CNN, Transformer) prove most vulnerable to elevation gradients. All major patterns persisted across variations in thresholds, model subsets, ENSO definitions, multiplicity corrections, and bootstrapping. These findings confirm that superior mean accuracy does not guarantee operational reliability, and that conditional failure diagnosis is an essential complement to benchmarking rainfall predictions in tropical monsoon regions. Full article
25 pages, 2107 KB  
Article
Oncostatin M as a Complementary Non-Invasive Marker of Endoscopic and Histological Disease Activity in Ulcerative Colitis
by Alina-Ecaterina Jucan, Carmen Atodiresei, Georgiana-Elena Sarbu, Vasile-Claudiu Mihai, Ioana-Irina Rezuș, Simona Juncu, Mariana Pavel-Tanasa, Daniela Constantinescu, Vasile Maciuc, Mihaela Dranga, Otilia Nedelciuc, Oana Barboi, Irina Ciortescu, Daniela Maria Tanase, Monica Hancianu, Vasile Drug, Cristina Cijevschi-Prelipcean and Cătălina Mihai
Int. J. Mol. Sci. 2026, 27(18), 8110; https://doi.org/10.3390/ijms27188110 - 11 Sep 2026
Abstract
Plasma Oncostatin M (OSM) has been proposed as a biomarker of disease activity in ulcerative colitis (UC). We evaluated OSM’s relationship with clinical, endoscopic, and histological activity across two follow-up visits, compared with fecal calprotectin (FC). One hundred UC patients were assessed at [...] Read more.
Plasma Oncostatin M (OSM) has been proposed as a biomarker of disease activity in ulcerative colitis (UC). We evaluated OSM’s relationship with clinical, endoscopic, and histological activity across two follow-up visits, compared with fecal calprotectin (FC). One hundred UC patients were assessed at Visit 1 (baseline) and Visit 2 (12 months) for clinical (partial Mayo score), endoscopic (Mayo Endoscopic Score), and histological (Nancy Histological Index) activity, alongside plasma OSM, FC, CRP, and fibrinogen; 30 healthy controls were included for comparison. Given the marked right-skewness of OSM and FC, associations were assessed using both Pearson and Spearman correlations, and logistic regression effect sizes are reported as odds ratios per doubling of biomarker concentration (log2 scale). OSM correlated significantly with all activity measures at both visits, most strongly with histological activity (r = 0.521–0.602), but weakly or not with CRP/fibrinogen. OSM was significantly elevated versus controls at both visits (p < 0.001) and declined significantly with treatment response (Δ = −89.06 vs. +0.50 in controls, p = 0.006). FC was the dominant predictor of clinical (AUC = 0.788) and endoscopic (AUC = 0.926) remission at Visit 2, with OSM contributing little independent value; however, for histological remission, both baseline OSM and ΔOSM were independent, complementary correlates (OR = 8.43 and 9.64 per doubling, respectively; p < 0.001 for both), yielding the strongest model overall (AUC = 0.949). OSM’s discriminative accuracy improved markedly from Visit 1 to Visit 2 for endoscopic (AUC 0.695 → 0.897) and histological (AUC 0.738 → 0.927) activity. Across two follow-up assessments, OSM consistently reflected UC activity, with its strongest and most independent signal for histological inflammation, both as a concurrent correlate and—more modestly—as a genuine prospective marker independent of baseline treatment exposure. OSM’s incremental value over FC was most apparent for histological status and for stringent (MES 0) endoscopic remission, but not for conventional clinical or endoscopic remission thresholds. Full article
18 pages, 1034 KB  
Article
The NUTRI-OBEDIGITHUM Pathway: Integrating Personalized Exchange-Based Nutrition into Digitally Enabled Obesity Care and a Retrospective Real-World Cohort Analysis
by Clotilde Vázquez, Jersy Cárdenas-Salas, Francisco Arrieta, Alvaro Sánchez, Mar Alcarria, Alicia Melchor, Bogdana Luca, Clara Yela, Yvonne Fernández, Ana Prieto, Amalia Paniagua, Maite Ortega, Leopoldo García-Valdecasas, Adriana Burrero, Alberto Martínez, Nerea Aguirre, Miguel Aganzo, Ana Isabel de Cos, Esmeralda Martín, Juan Gómez-Borrallo, Marbella Piñera, Roberto Sierra, Marta del Olmo, Sebastian Mas-Fontao and Teresa Montoyaadd Show full author list remove Hide full author list
Nutrients 2026, 18(18), 2985; https://doi.org/10.3390/nu18182985 - 11 Sep 2026
Abstract
Background/Objectives: Obesity care requires nutritional prescriptions that are individualized, nutritionally coherent, understandable, and feasible within high-volume clinical services. We describe the NUTRI-OBEDIGITHUM pathway, which integrates multidimensional digital phenotyping, clinician-supervised exchange-based nutritional prescription, patient-oriented materials, and structured education, and we report preliminary descriptive outcomes [...] Read more.
Background/Objectives: Obesity care requires nutritional prescriptions that are individualized, nutritionally coherent, understandable, and feasible within high-volume clinical services. We describe the NUTRI-OBEDIGITHUM pathway, which integrates multidimensional digital phenotyping, clinician-supervised exchange-based nutritional prescription, patient-oriented materials, and structured education, and we report preliminary descriptive outcomes from a retrospective real-world cohort. Methods: This descriptive methodological and operational study included a retrospective observational analysis of anonymized routine-care data. NUTRI-OBEDIGITHUM integrates OBEDIGITHUM, a digitally enabled obesity-care pathway, with Dietcamb®, a software-supported method that translates individualized energy and macronutrient targets into food exchanges, meal distributions, household measures, food lists, and example menus. The source database comprised 3928 unique patients. Among patients with a plausible baseline weight and an observable 6-month window, the eligible outcome was the measurement closest to day 183 within ±60 days, after prespecified plausibility checks. Baseline characteristics were compared descriptively according to outcome availability. Baseline medication exposure was assessed using free-text mentions only. Results: By the data cutoff, the 6-month window had opened for 3215 patients; 929 (28.9%) had an eligible 6-month weight and 2286 (71.1%) did not. In the analyzed cohort, mean age was 53.7 ± 14.0 years, 70.5% were women, and mean body mass index was 35.9 ± 6.3 kg/m2. Mean weight changed from 98.5 ± 20.7 kg at baseline to 94.2 ± 20.3 kg at follow-up, corresponding to a descriptive paired change of −4.3 kg (95% CI −4.7 to −3.9); median total body-weight loss was 3.4%. Losses of at least 5%, 10%, and 15% were observed in 39.6%, 17.8%, and 6.4% of patients, respectively. A baseline GLP-1 receptor-agonist mention was present in 151/929 patients (16.3%); medication timing, dose, duration, dispensing, persistence, and adherence were unavailable. Conclusions: NUTRI-OBEDIGITHUM provides an operational framework for converting multidimensional obesity phenotyping into a structured, flexible, clinician-supervised, and patient-oriented nutritional prescription. The observed weight trajectories are descriptive complete-case findings from a selected, uncontrolled cohort and cannot establish the independent effectiveness of the pathway, Dietcamb®, or pharmacotherapy. Prospective studies should evaluate reach, adoption, fidelity, usability, adherence, nutritional adequacy, safety, NUTRI-specific workload and cost, and metabolic outcomes. Full article
(This article belongs to the Special Issue Integrative Interventions for Obesity: The Central Role of Nutrition)
23 pages, 1947 KB  
Article
FQDA-ML: A Hierarchical Machine Learning-Powered Data Quality Framework for Evaluating Agile Sprint Performance: A Case Study in Community Engagement Projects
by Mario Pérez-Cargua, Elizabeth Salazar-Jácome, Javier De la Torre-Guzmán, Félix Chávez-Jácome and Wilson Sánchez-Ocaña
Future Internet 2026, 18(9), 473; https://doi.org/10.3390/fi18090473 - 11 Sep 2026
Abstract
Agile software development continuously generates operational data through sprint execution, task completion, and effort estimation. However, the quality of these data is rarely assessed before they are used for analytics and predictive modeling, particularly in non-industrial settings. Existing data quality approaches primarily focus [...] Read more.
Agile software development continuously generates operational data through sprint execution, task completion, and effort estimation. However, the quality of these data is rarely assessed before they are used for analytics and predictive modeling, particularly in non-industrial settings. Existing data quality approaches primarily focus on industrial big data contexts and provide limited guidance for evaluating agile sprint repositories. This study proposes FQDA-ML, a hierarchical machine learning-powered framework for assessing sprint data quality and analyzing its relationship with delivery performance. The framework adapts Cai and Zhu’s five-dimensional data quality model and operationalizes it through 13 measurable indicators aggregated into the Sprint Data Quality Index (SDQI). The framework was validated using 129 real sprints from 13 software development teams during one academic year, organized into two consecutive academic semesters (2024-S1 and 2024-S2), corresponding to two student cohorts involved in community engagement software projects. The results showed a mean SDQI of 0.603 ± 0.217 and a strong association between SDQI and sprint completion rate (ρ = 0.719. p < 0.001). The predictive evaluation achieved an AUC-ROC of 0.968 under standard five-fold cross-validation and 0.726 under Leave-One-Group-Out validation, highlighting the influence of team-level dependency on model generalization. The findings provide an empirically validated framework for data quality assessment and predictive software analytics in agile environments. Full article
(This article belongs to the Topic Data Intelligence and Computational Analytics)
20 pages, 3333 KB  
Article
The Assembly of Alginate–Chitosan–Xanthine Hydrogel and Halomonas Improves Soil Quality of Protected Crop Growth Under Saline–Alkali Stress
by Rou Liu, Zirun Zhao, Guangbo Feng, Jiawen Yu, Xiaoxiang Zhou, Zijia Zhao, Danni Wang, Mingchun Li and Qilin Yu
Molecules 2026, 31(18), 3215; https://doi.org/10.3390/molecules31183215 - 11 Sep 2026
Abstract
Soil saline–alkali stress has become a great risk, leading to significant decline in crop yields, especially in protected agriculture that is frequently threatened by excessive chemical fertilization. There is an urgent need to develop friendly strategies for improving the quality of saline–alkali soil. [...] Read more.
Soil saline–alkali stress has become a great risk, leading to significant decline in crop yields, especially in protected agriculture that is frequently threatened by excessive chemical fertilization. There is an urgent need to develop friendly strategies for improving the quality of saline–alkali soil. Microbial inoculants are promising agents in attenuating soil stress, but their colonization ability in the crop rhizosphere is often limited. To improve the efficiency of microbial inoculants, this study constructed the assembly of a salt-tolerant bacterium Halomonas (Homs) and a hydrogel composed of sodium alginate, chitosan and xanthine with the assistance of artificial Homs-binding protein (Schx). The effect of this Homs + Schx assembly on the growth of crops and the rhizosphere microecology under saline–alkali stress was systematically evaluated by pot experiments. The results indicate that the application of Homs + Schx enhanced the Shannon index of the rhizosphere bacterial community and increased the relative abundance of key bacterial genera related to biofilm formation and nitrogen cycling (e.g., Curvibacter and Nitrospira). Furthermore, Homs + Schx enhanced the activity of soil urease, peroxidase, and sucrase, reducing the sodium ion content, increasing the potassium ion content, and effectively lowering the soil pH and salt contents. Physiologically, this treatment induced a root osmotic regulatory response, resulting in an increase in the proline contents and a decrease in malondialdehyde contents. Consequently, Homs-Schx promoted the growth of tomatoes and wheat in saline–alkali soil. This study provides new ideas for enhancing the rhizosphere colonization of plant growth-promoting bacteria, regulating the structure of microbial communities, and enhancing crop stress tolerance with the aid of green material strategies. Full article
21 pages, 1713 KB  
Article
Resource-Efficient Fibre Reinforcement of Loess: Stiffness Compatibility, Compaction, Strength, and Failure Mechanisms
by Ajibola Lawal, Janusz Vitalis Kozubal, Matylda Tankiewicz and Tomasz Kania
Sustainability 2026, 18(18), 9370; https://doi.org/10.3390/su18189370 - 11 Sep 2026
Abstract
Loess is prone to brittle failure and structural collapse, motivating binder-free strategies that improve geotechnical performance while limiting material consumption. This study evaluates fibre effects on compaction, unconfined compressive strength (UCS), and stiffness of loess. Flexible polypropylene (PP) and stiff E-glass fibres, both [...] Read more.
Loess is prone to brittle failure and structural collapse, motivating binder-free strategies that improve geotechnical performance while limiting material consumption. This study evaluates fibre effects on compaction, unconfined compressive strength (UCS), and stiffness of loess. Flexible polypropylene (PP) and stiff E-glass fibres, both 6 mm long, were added at 0–1.2% of the dry soil mass. Standard Proctor and unconfined compression tests, supplemented by stereo-microscopic observations, were performed. Fibre addition caused moderate changes in optimum moisture content and maximum dry density, whereas mechanical response depended strongly on fibre type. PP fibres increased UCS by up to 126.9% at 1.2%; however, the gain from 1.0% to 1.2% was comparatively small. E-glass fibres reduced UCS at all dosages, with a maximum decrease of 22.1% at 1.0%. Both fibre systems reduced the secant stiffness modulus (E50) relative to unreinforced loess. A fibre-to-soil stiffness ratio was used as an interpretative parameter, while the Fibre Reinforcement Efficiency Index (FREI) quantified relative UCS change per unit fibre dosage. For PP, maximum FREI occurred at 1.0%, showing that maximum absolute strength did not coincide with maximum dosage-normalised response. The findings support evaluating mechanical benefit relative to fibre dosage when selecting reinforcement for binder-free loess improvement. Full article
32 pages, 1106 KB  
Systematic Review
Prognostic Value of Oxidative Stress Biomarkers in Acute Myeloid Leukemia: A Systematic Review
by Efthymia Papaioannou, Foteini-Maria Manouka, Marios-Lampros Theodorou Anagnostou, Efthymios Giraleas and Elisavet Georgiou
Sci 2026, 8(9), 253; https://doi.org/10.3390/sci8090253 - 11 Sep 2026
Abstract
Background: Acute myeloid leukemia (AML) is biologically heterogeneous and associated with poor outcomes. Although oxidative stress contributes to AML pathogenesis, the prognostic value of related biomarkers remains uncertain. Objective: This study aimed to evaluate associations between oxidative stress-related biomarkers and prognosis in adults [...] Read more.
Background: Acute myeloid leukemia (AML) is biologically heterogeneous and associated with poor outcomes. Although oxidative stress contributes to AML pathogenesis, the prognostic value of related biomarkers remains uncertain. Objective: This study aimed to evaluate associations between oxidative stress-related biomarkers and prognosis in adults with AML, focusing on overall survival (OS), complete remission (CR), relapse, relapse-free survival (RFS), event-free survival (EFS), and early mortality. Methods: This PRISMA-compliant systematic review was registered in PROSPERO (CRD420261364956). MEDLINE/PubMed, Scopus, Cochrane Library, Science Citation Index, ClinicalTrials.gov, and WHO ICTRP were searched from January 2015 through 31 July 2026. Eligible studies included adults with AML, oxidative stress-related biomarkers measured in biological samples, and extractable prognostic data. Risk of bias was assessed using QUIPS and certainty of evidence using GRADE. Results: Thirteen of 537 records met the inclusion criteria; 203 supplementary reports yielded no additional studies. Investigated biomarkers included ROS-related phenotypes, antioxidant and redox-regulatory genes, glutathione metabolism, iron/inflammation-related markers, and oxidative DNA damage indicators. Adverse outcomes were associated with ROS-related phenotypes, combined ROS/aldehyde dehydrogenase activity, GPX3, GSTP1, ferritin, gamma-glutamyl transpeptidase-to-albumin ratio, SOD1, and glutathione-related metabolic profiles. Conclusions: These biomarkers may have prognostic value, particularly for OS, but heterogeneity limits clinical application. Standardized validation and integration into applicable risk models are required. Full article
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