Tag: pubmed

J Mol Graph Model. 2026 Apr 8;146:109403. doi: 10.1016/j.jmgm.2026.109403. Online ahead of print.

ABSTRACT

Ornithine decarboxylase (ODC) is a pyridoxal-5′-phosphate (PLP)-dependent enzyme that catalyzes the rate-limiting step of polyamine biosynthesis, a pathway closely linked to cell proliferation and cancer progression. Frequently upregulated in tumors through MYC activation, ODC is an attractive target for anticancer drug discovery. In this work, a library of 412 phytochemicals from 52 medicinal plants with documented anticancer properties was screened in silico for drug-likeness, pharmacokinetics, and binding affinity against the ODC homodimer. Of these, 130 compounds advanced to molecular docking and ADMET analysis, yielding 13 top candidates with favorable affinity. Molecular dynamics (MD) simulations over 100 ns confirmed stable interactions for nine compounds, while MM-PBSA free energy and per-residue decomposition analysis identified five phytochemicals with favorable binding. Notably, Withanone, Withaferin A, and Withanolide D (Ashwagandha), Arjunic Acid (Haritaki), and Digitoxigenin (Tilpushpi) demonstrated higher affinity than the natural inhibitor Myricetin. These ligands engaged critical active-site residues and showed stable binding supported by RMSD, Radius of gyration, hydrogen bond persistence, PCA, and FEL analysis. Furthermore, statistical analysis of binding free energies and three independent 100 ns MD simulations for the two best-performing inhibitors were performed and compared with the reference compound which, confirmed the reproducibility and reliability of the binding results. The study is based on an established CADD approach with a significantly large library of natural compounds to screen specific ligands for the potential inhibition of the ODC. Furthermore, it revealed that water-mediated interaction and PLP-cofactor-associated binding mechanism stabilizes the ODC catalytic pocket. Overall, these results highlight selected phytochemicals as promising potential reversible ODC inhibitors, warranting experimental validation to establish their therapeutic potential in cancer treatment.

PMID:41965992 | DOI:10.1016/j.jmgm.2026.109403

Mar Pollut Bull. 2026 Apr 10;229:119714. doi: 10.1016/j.marpolbul.2026.119714. Online ahead of print.

ABSTRACT

Predicting the fate of microplastics (MPs) in the environment and assessing their potential environmental hazard is crucial in defining effective mitigation strategies. This paper presents a novel approach for a comprehensive understanding of stressing factors controlling the distribution of MPs, their degradation and physicochemical transformation, by coupling spectroscopic techniques with multivariate analyses. Samples of floating MPs were collected from three transects of four coastal-port areas with different hydrodynamic characteristics and level of anthropogenic pressures (one industrial port, one commercial port and two tourist port areas). Polyethylene (PE) MPs fragments were analysed by Attenuated total reflectance-Fourier transform Infrared Spectroscopy (ATR-FTIR), then Orthogonal Partial Least Square-Discriminant Analysis (OPLS-DA) was applied on the registered spectra. This approach revealed specific spectral differences between PE samples collected near industrial/commercial ports and those collected near tourist ports. The spectral regions most responsible for that distinction were the vinyl (1200-900 cm^-1) and carbonyl (1800-1600 cm^-1) regions, and to a less extent those used to calculate the crystallinity index (729 cm^-1 and 719 cm^-1). In contrast, the hydroxyl region (3500-3000 cm^-1) was somewhat less effective for discrimination. Samples from tourist port areas exhibited higher chemical index values, suggesting greater exposure to photodegradation processes due to prolonged UV light exposure. Conversely, PE MPs originating from industrial port areas exhibited lower vinyl and carbonyl indices and a less pronounced crystalline phase, despite being more polluted: we hypothesize that distinct transport pathways might have favoured prolonged residence time in water, and/or significant fouling resulting in both cases in mitigated photo-oxidation phenomena.

PMID:41965988 | DOI:10.1016/j.marpolbul.2026.119714

Mar Pollut Bull. 2026 Apr 10;229:119618. doi: 10.1016/j.marpolbul.2026.119618. Online ahead of print.

ABSTRACT

Phytoplankton are tiny drifting photosynthetic organisms that support marine food webs and help control the global carbon cycle. However, it remains unclear how ongoing environmental changes are altering their cell size, species diversity, and chlorophyll a concentration in coastal seas. In this study, we investigated changes in phytoplankton cell size, species diversity, and chlorophyll a concentration along the Yellow Sea coast of China from 2021 to 2024, based on fourteen research cruises conducted at twenty-six coastal stations. We then employed statistical models to explore how individual and combined environmental factors were related to those biological features. We observed a clear shift to predominance of smaller cells, a reduction in species diversity, and an increase in chlorophyll a concentration. pH and reduced dissolved inorganic nitrogen were strongly associated with smaller cell size, while higher salinity and higher oxygen were associated with lower diversity. Lower surface water temperature and higher dissolved oxygen were associated with higher chlorophyll a concentrations. Overall, our findings suggest that interacting changes in pH, nutrient supply, temperature, salinity, and oxygen are associated with a simpler phytoplankton community structure, smaller mean cell size, and higher biomass levels in the Yellow Sea coastal region, with potential consequences for local food webs and carbon cycling.

PMID:41965987 | DOI:10.1016/j.marpolbul.2026.119618

Vaccine. 2026 Apr 10;81:128565. doi: 10.1016/j.vaccine.2026.128565. Online ahead of print.

ABSTRACT

INTRODUCTION: There is evidence that pre-booked appointments (PBA) for vaccination can enhance uptake, but might also result in reactance. We assessed the effect of PBA versus self-scheduling on uptake of COVID-19 vaccination during the 2023 autumn campaign in the Netherlands.

METHODS: Persons aged ≥60 years were personally invited by mail. Those born between 01-01-1934 and 01-05-1952 (i.e., age 71.7-90.0 on 31-12-2023) received a letter with a PBA, while the others received a letter inviting them to self-schedule an appointment. National registries of sociodemographic determinants and COVID-19 vaccination were linked by a unique personal identifier. A regression discontinuity design was applied to estimate the local average treatment effect at 71.7 and 90.0 years of age among non-institutionalised adults with ≥1 prior COVID-19 vaccination. Stratified analyses were done for sociodemographic subgroups.

RESULTS: The autumn 2023 vaccination coverage among non-institutionalised persons aged ≥60 years with ≥1 prior registered COVID-19 vaccination (N = 4.0 million) was 55.0%. PBA resulted in a 3.3 (95% CI 2.6-4.1) and 4.7 (95% CI 3.7-5.7) percentage point higher uptake at 71.7 and 90.0 years, respectively. Subgroup analyses showed predominantly positive results. However, statistically significant interactions between several determinants of vaccination and the PBA effect indicate that the effect size differed between subgroups.

DISCUSSION: This nationwide quasi-experimental study shows that PBA is effective in increasing uptake. However, differences of the PBA effect between subgroups should be taken into account to increase equity of the vaccination programme.

PMID:41965975 | DOI:10.1016/j.vaccine.2026.128565

Eur J Obstet Gynecol Reprod Biol. 2026 Apr 6;322:115100. doi: 10.1016/j.ejogrb.2026.115100. Online ahead of print.

ABSTRACT

OBJECTIVE: To study the effect of intrauterine instillation of Hyaluronan enriched media on reproductive outcomes of intrauterine insemination treatment.

DESIGN AND PARTICIPANTS: 100 couples with unexplained infertility were approached and were randomly allocated to the intervention and control arm with 1:1 allocation over 2 years of duration.

INTERVENTION AND OUTCOME MEASURES: The study participants received controlled ovarian stimulation and intrauterine insemination. Additionally, the intervention group, received intrauterine administration of Hyaluronan enriched media. The intervention group and control group was compared for clinical pregnancy, live birth and miscarriages using the SPSS statistical package (version 23.0).

RESULTS: The study observed a trend of improved cumulative biochemical pregnancy rates (33.3% Vs 15.5%, RR 2.14, 95% CI 0.96-4.75, p = 0.061) and clinical pregnancy rates (31.1% Vs 15.5%, RR 2.00, 95% CI 0.89-4.48, p = 0.093) in the intervention group, which however did not reach statistical significance. The cumulative live birth occurrence was statistically significantly better in the intervention arm (28.9% vs 11.1%). RR 2.60, 95% CI 1.01-6.89, p = 0.047) of the trial. Similar miscarriage rates were observed in both arms of the trial (4.4% Vs 4.4%, RR 1.0, 95% CI 0.15-6.79, p = 1.00). The intrauterine insemination instillation of hyaluronan enriched media was well tolerated by participants in the intervention arm.

CONCLUSIONS: The study suggests a potential benefit of use of hyaluronan enriched media as a novel minimally invasive add-on intervention to facilitate the enhancement of success rates of IUI treatment.

PMID:41965969 | DOI:10.1016/j.ejogrb.2026.115100

Eur J Sport Sci. 2026 May;26(5):e70174. doi: 10.1002/ejsc.70174.

ABSTRACT

This study aimed to analyze potential menstrual cycle-related changes in physical parameters associated with performance and injury risk, focusing on neuromuscular control and motor performance in physically active young females. Twenty-two healthy participants with regular menstrual cycles (24-34 days) were examined sequentially during the follicular phase (day 3), ovulatory phase (within 48 h after a positive urine LH test), and luteal phase (7 days post-ovulation). Ovulation was indicated by a positive urinary LH surge test. The assessments included countermovement jump (CMJ), squat jump (SJ), postural control, ankle dorsiflexion range of motion (ROM), and isokinetic concentric maximal strength. Statistical analyses involved one-way repeated-measures ANOVA or the Friedman test for non-normally distributed data. Significant effects across the menstrual cycle were found for maximum concentric flexion strength (p = 0.003; ${\eta }_G^2$ = 0.037) and ankle ROM (p = 0.043; ${\eta }_G^2$ = 0.010). Post hoc analysis revealed a significant increase in concentric flexion strength from the follicular to the luteal phase (p = 0.004), whereas no significant pairwise differences were observed for ankle ROM. Concentric flexion strength increased significantly from the follicular to the luteal phase (+7.4%), and ankle ROM showed a trend toward improvement, with the highest values observed in the luteal phase (+3.8%). In contrast, CMJ, SJ, and postural control remained constant across all phases. Overall, neuromuscular and motor performance parameters appear largely consistent throughout the menstrual cycle, with only small fluctuations in strength and flexibility. These findings suggest that menstrual cycle-related changes have limited functional relevance but may still warrant consideration in future studies investigating individual responses and injury risk.

PMID:41965941 | DOI:10.1002/ejsc.70174

Vet Med Sci. 2026 May;12(3):e70925. doi: 10.1002/vms3.70925.

ABSTRACT

OBJECTIVE: The study aimed to evaluate the effect of a one-shot oral administration of pentoxifylline on semen parameters in normospermic and oligospermic dogs.

METHODS: Twenty-nine dogs were categorized as normospermic or oligospermic based on baseline sperm concentration. After 10 days from the first semen evaluation, each dog received 10 mg/kg of pentoxifylline orally, given 40 min prior to ejaculation. Semen was evaluated using a Computer-Assisted Sperm Analysis (CASA) system and Eosin-Nigrosin staining for vitality.

RESULTS: Compared with baseline, pentoxifylline treatment resulted in a statistically significant increase in sperm concentration and progressive motility (p < 0.01), most notably in oligospermic dogs.

CONCLUSION AND CLINICAL SIGNIFICANCE: These findings highlight the beneficial effects of pentoxifylline and confirm its potential as an adjunct therapy for improving semen quality in subfertile male dogs.

PMID:41965913 | DOI:10.1002/vms3.70925

Sci Rep. 2026 Apr 11. doi: 10.1038/s41598-026-47461-2. Online ahead of print.

ABSTRACT

The correlations between the serum 25(OH)D level with white matter hyperintensities (WMH) and gait disorders were determined in patients with cerebral small vessel disease. Patients with WMH (n = 217) were enrolled, while 52 healthy individuals were designated as the control group. The 217 patients populated the vitamin D deficiency, insufficiency, and sufficiency groups. The 217 patients with WMH were also divided into periventricular white matter hyperintensities (PWMH) and deep white matter hyperintensities (DWMH) groups. The serum 25(OH)D level was negatively correlated with the severity of WMH, especially PWMH (P < 0.05). A significant difference in gait existed among the groups with different 25(OH)D levels and the control group (all P < 0.001). All indicators had statistical significance between the 25(OH)D insufficiency and deficiency groups, between the 25(OH)D sufficiency and deficiency groups, and the control and 25(OH)D deficiency groups. The serum 25(OH)D level was positively correlated with the total SPPB score, the total Tinetti balance and gait analysis (TBGA) score (P < 0.05), but negatively correlated with TUG time (P < 0.05). The combination of WMH severity and the serum 25(OH)D level more effectively indicated the falling risk than a single indicator, with an AUC value of 0.806. Logistic regression analysis showed that 25(OH)D, age, whether a cerebral infarction had occurred, hypertension, and smoking were the significant influencing factors for WMH (P < 0.05); and gender, age, presence of coronary heart disease, total score of WMH, and 25(OH)D had significant impacts on falls (P < 0.05). The serum 25(OH)D level had a negative correlation with WMH, especially PWMH. The serum 25(OH)D level was negatively correlated with gait disorders. The combination of WMH severity and serum 25(OH)D level was more discriminative at identifying low-risk versus high-risk falling groups than relying on a single indicator. 25(OH)D and age were significant influencing factors for WMH, as well as for the falls.

PMID:41965910 | DOI:10.1038/s41598-026-47461-2

Nat Commun. 2026 Apr 11. doi: 10.1038/s41467-026-71725-0. Online ahead of print.

ABSTRACT

Brain functions involve processing in local networks as well as modulation from brainwide signals, such as arousal. Dissecting the contributions of populations of neurons to these functions requires knowledge of interactions between brain areas. We investigated these interactions using dual hemisphere recordings of prefrontal cortex in monkeys performing a spatial memory task. To tease apart global processing from local interactions, we applied a novel statistical approach called pCCA-FA (a combination of probabilistic canonical correlation analysis and factor analysis) to analyze trial-to-trial variability in neuronal activity. We found substantial shared variability among neurons within each population, much of which was actually shared across populations and linked to an arousal process. Our work presents a path by which we can leverage multi-area recordings to reveal aspects of brain functions that are hidden in single-area recordings.

PMID:41965893 | DOI:10.1038/s41467-026-71725-0

Sci Rep. 2026 Apr 11;16(1):12065. doi: 10.1038/s41598-026-44875-w.

ABSTRACT

Neurologists, as specialists in a high-stress field, which hold lots of mental and emotional stressors. The complexity of neurological conditions, the extended working hours, and the emotional burden of managing chronic or terminal patients contributes to a stressful work environment. Globally, studies have shown that healthcare professionals, particularly those in specialties of high demand like neurology, are at risk of depression and burnout. This study aims to assess the prevalence of depressive symptoms among neurologists in Egypt. Help identify the risk factors that contribute to these depressive symptoms. A cross-sectional survey was conducted among Egyptian neurologists working in both public and private healthcare institutions. Participants in the study completed the Patient Health Questionnaire-9 (PHQ-9) to assess the severity of depressive symptoms. Data on demographics, job satisfaction, shift duration, workload and overall job satisfaction were also collected and analyzed using descriptive and inferential statistics. Out of 138 neurologists surveyed, nearly half (43.5%) reported moderate to severe depressive symptoms. Those with a prior diagnosis of depression were especially affected-more than 8 in 10 (82.4%, 95% CI 66.2%-91.7%) reported significant symptoms, compared to just over a third (37.5%, 95% CI 28.8%-47.1%) of those without a known history (p < 0.001). Higher depression scores were also linked to early career stage and longer working hours. Over half of the neurologists with less than three years of experience (53.1%) and those working more than 80 h per week (56.3%) screened positive for moderate to severe depression. These findings highlight a high burden of depressive symptoms among Egyptian neurologists, particularly those early in their careers or with a prior history of depression, emphasizing the urgent need for targeted mental health interventions and systemic workplace reforms.

PMID:41965879 | DOI:10.1038/s41598-026-44875-w