Tag: pubmed

J Am Chem Soc. 2026 Jan 26. doi: 10.1021/jacs.5c15697. Online ahead of print.

ABSTRACT

The variety of publications reporting high-entropy alloy (HEA) catalysts with exceptional activities creates a survivor bias, implying that the mixing entropy directly increases the activity. However, many screening studies show a different picture. In a multielement composition-activity space, often a low to medium entropic 2- or 3-element composition emerges as the most active catalyst. In this work, we investigate the relationship between the complexity of an alloy, which can be expressed in mixing entropy, and its maximum possible activity using theory and statistical modeling. Based on our analysis, we propose a hypothesis for the surface complexity-activity relationship of HEA catalysts. Namely, the intrinsic activity of an alloyed surface is defined by two opposing forces: positive ligand interactions that enhance the activity and the statistical dilution of active sites. As a result, the relationship between the surface complexity-activity shows qualitatively a volcano-like behavior. At first, adding elements increases the activity due to favorable ligand interactions. Yet, at some point, the catalytic benefit from increasing the complexity of the surface gets outweighed by the dilution of the catalytic sites. Correspondingly, this hypothesis states that there is an optimal ratio between the surface complexity and catalytic activity.

PMID:41582674 | DOI:10.1021/jacs.5c15697

Chem Commun (Camb). 2026 Jan 26. doi: 10.1039/d5cc04161a. Online ahead of print.

ABSTRACT

We introduce a scalable method to quantify electronic correlations in insulin using mutual information (MI), characterizing interatomic and inter-residue interactions. A cut-wise strategy, based on the locality and decay of electronic correlations, combines localized density functional theory (DFT) calculations on 51 overlapping spherical cuts to reconstruct global MI matrices. The approach accurately reproduces key biochemical features and aligns with full-protein DFT results, enabling efficient quantum correlation analysis for large biomolecules. This framework supports future applications in protein-ligand modeling, pharmacophore design, and quantum-enhanced drug discovery.

PMID:41582663 | DOI:10.1039/d5cc04161a

Diabetes Obes Metab. 2026 Jan 26. doi: 10.1111/dom.70501. Online ahead of print.

ABSTRACT

AIMS: Drug-gene interactions (DGIs) modify drug response and safety, yet their influence on diabetic microvascular complications remains unclear. This study aimed to elucidate the role of DGIs in these complications.

MATERIALS AND METHODS: Using UK Biobank (UKB) data, we identified medications frequently prescribed to individuals with diabetes and defined DGIs based on the Food and Drug Administration (FDA) and the Clinical Pharmacogenetics Implementation Consortium (CPIC) guidelines. Associations between DGIs and diabetic microvascular complications were evaluated using Cox proportional hazards models, which are suited for longitudinal time-to-event data. Two complementary analyses were performed: (1) a therapeutic class-level analysis among medication users, and (2) a genotype-level analysis among individuals with non-normal metabolizer phenotypes who used the corresponding medications.

RESULTS: We identified 368 medications preferentially used among participants with diabetes, primarily cardiovascular agents and detected 55 clinically relevant DGIs implicating 30 medications and 7 genes. Among users of antithrombotic agents, the presence of DGIs was associated with diabetic kidney disease (DKD) (hazard ratio [HR]: 1.44, 95% confidence interval [CI]: 1.12-1.86) and diabetic neuropathy (DN) (HR: 2.13, 95% CI: 1.39-3.28). Likewise, among individuals with non-normal metabolizer status for CYP2C19 or CYP2D6, DGIs conferred elevated risks for DKD and DN (HR range: 1.26-2.11). However, no significant association was found between DGI and DR.

CONCLUSION: This study provides the first comprehensive assessment of DGIs and diabetic microvascular complications. DGIs involving antithrombotic agents and non-normal CYP2C19 or CYP2D6 metabolizers were significantly linked to higher risks of DKD and DN. These findings underscore the potential of pharmacogenomic-guided prescribing to enhance drug safety.

PMID:41582657 | DOI:10.1111/dom.70501

J Cosmet Dermatol. 2026 Feb;25(2):e70609. doi: 10.1111/jocd.70609.

ABSTRACT

BACKGROUND: Phenol-croton peels are the gold standard for treating sun-damaged skin and static wrinkles; their long-term outcomes and patient satisfaction rates have yet to be thoroughly investigated.

AIMS: To evaluate patient satisfaction and both short- and long-term cutaneous side effects in individuals undergoing phenol-croton peels.

MATERIALS AND METHODS: This retrospective cohort study analyzed 102 female patients who underwent phenol-croton peels and were followed up until 3 months after the procedure to assess short-term side effects and to identify any long-term side effects that persisted beyond this period. Univariate and multivariate analyses were performed to assess patient satisfaction and long-term cutaneous side effects.

RESULTS: Ninety-two percent of patients rated their satisfaction as 4 or 5. Persistent cutaneous side effects were observed in 12% of cases (hypopigmentation: 6, hyperpigmentation: 5, dryness: 1). Despite mild hypopigmentation, five patients expressed willingness to undergo the procedure again. In the univariate analyses, full-face treatment, increasing age, and the absence of cutaneous side effects were significantly associated with higher satisfaction scores (p < 0.05). In the multivariate model, age and the absence of cutaneous side effects remained independently and significantly associated with the outcome. Full-face treatment, although not statistically significant in the final model, showed a trend toward association and contributed to the overall adjustment. Notably, cutaneous side effects decreased at follow-up performed at least 15 months after the procedure compared to follow-up conducted within 3 months post-procedure (p = 0.039).

CONCLUSIONS: Phenol-croton peels demonstrated high satisfaction rates despite occasional prolonged cutaneous side effects. However, these side effects significantly decreased at ≥ 15 months post-procedure compared to ≤ 3 months post-procedure. Careful patient selection and expertise in performing this procedure remain crucial for optimizing outcomes.

PMID:41582656 | DOI:10.1111/jocd.70609

Lakartidningen. 2026 Jan 26;123:25102-.

ABSTRACT

Survival for children on the waiting list has improved significantly over time in Sweden and the Nordic countries, despite an increase in waiting list duration over time. Approximately 40% of hearts used for pediatric heart transplantation in Sweden come from donors in other Nordic countries. Outcomes following pediatric heart transplantation in Sweden and the Nordic countries are comparable to much larger regions and registries, despite a low number of yearly transplants in the region.

PMID:41582653

Sci Rep. 2026 Jan 25. doi: 10.1038/s41598-026-37179-6. Online ahead of print.

ABSTRACT

The causal relationships between external driving forces and the ecological degradation of lakes are characterized as complex and multidimensional, with multiple inputs and outputs, nonlinearity, and many interactions. Conventional parametric statistical methods such as correlation analysis and multiple linear regression cannot handle these characteristics simultaneously. Thus, we developed an integrated analytical framework to screen, identify, and predict the factors related to the ecological degradation of lakes based on redundancy analysis (RDA), variance partitioning analysis (VPA), and principal component analysis-based generalized additive models (PCA-based GAM). The RDA and VPA methods were employed to identify and rank the driving factors that explained the decrease in species richness (specifically of key aquatic organisms, including phytoplankton, submerged plants, zooplankton, benthic animals, and fish), which is a critical ecological indicator closely associated with lake ecological degradation. PCA-based GAM was used to explore the patterns associated with driving forces. The driving forces related to the changes in species richness during the 35 years from 1986 to 2020 were investigated in Baiyangdian (BYD) Lake, China. Three categories of driving forces were identified: anthropogenic pollution, climate change, and hydrological conditions. Significant detrimental changes in species richness were detected in the first decade, followed by relative stability in the next decade, and favorable changes since 2015. Anthropogenic pollution, climate change, and hydrological conditions explained 41%, 18%, and 13% of the total variance, respectively. The best predictive model structures included the water level (WL), air temperature (AT), total phosphorus (TP), and (WL*TP) interaction, and they explained 98.4% of the total data variance. The proposed method offers actionable solutions for lake management, including real-time ecological health monitoring, adaptive strategies and indicating ecological degradation.

PMID:41582268 | DOI:10.1038/s41598-026-37179-6

Clin Rheumatol. 2026 Jan 26. doi: 10.1007/s10067-026-07952-z. Online ahead of print.

ABSTRACT

OBJECTIVE: Osteoarthritis (OA) has been a major public health challenge. The role of non-negligible dietary factors in the development of OA and in mortality risk among OA patients is unclear. This study aims to investigate the associations of serum carotenoid levels with mortality in OA patients.

METHODS: We analyzed data from 2051 OA patients in NHANES III. Mortality through December 31, 2019, was determined via the National Death Index. We assessed associations between carotenoids (α-carotene, β-carotene, β-cryptoxanthin, lutein/zeaxanthin, lycopene) and mortality using cubic splines and Cox regression. Sensitivity and stratified analyses were performed.

RESULTS: Overall, 942 deaths occurred during a median 12.58-year follow-up. Higher quartiles of all carotenoids (except lutein/zeaxanthin) were associated with lower all-cause mortality (hazard ratios and 95% confidence intervals: 0.53 [0.41, 0.67], 0.74 [0.59, 0.95], 0.75 [0.59, 0.96], and 0.66 [0.51, 0.86] for α-carotene, β-carotene, β-cryptoxanthin, and lycopene). BMI modified the relationship between β-carotene and mortality, showing a protective effect with BMI < 30 kg/m².

CONCLUSION: Higher serum carotenoid levels are linked to reduced mortality. While suggesting potential benefits, carotenoid supplement use remains questionable due to possible antioxidant interactions and synergistic effects. Key Points • Higher quartiles of all carotenoids (except lutein/zeaxanthin) were related to lower all-cause mortality. • Elevated serum carotenoid levels were associated with a decreased risk of mortality.

PMID:41582266 | DOI:10.1007/s10067-026-07952-z

Neurol Sci. 2026 Jan 26;47(2):195. doi: 10.1007/s10072-025-08795-3.

ABSTRACT

BACKGROUND: Vascular parkinsonism (VP) and the postural instability and gait difficulty (PIGD) subtype of Parkinson’s disease (PD) exhibit similar gait characteristics. However, most research emphasizes lower-limb gait parameters, often neglecting the role of cognitive function in gait regulation. Therefore, this study investigates differences in cognitive-motor interactions between VP and PIGD to identifying specific gait biomarkers and develop a diagnostic model.

METHODS: We recruited 37 PIGD patients and 37 VP patients between year 2022 to 2024 and used wearable devices to record gait parameters during single-task and dual-task paradigms. Demographic and clinical data were collected from all participants. Statistical analysis was conducted using R software with P < 0.05 as statistically significance.

RESULTS: Multiple gait parameters significantly difference between VP and PIGD groups under both single-task and dual-task paradigms. In both single-task and dual-task gait comparisons, significant differences were observed between VP and PIGD in walk speed, shank swing speed, gait speed, phase coordination index (PCI), and trunk sway maximum (P < 0.05). Corresponding dual-task costs (DTC) also showed significant differences (P < 0.05). ROC curve analysis indicated a good diagnostic performance when combining multiple gait parameters and their DTC with MoCA scores (AUC 0.838, 95% CI 0.745-0.931; AUC 0.880, 95% CI 0.803-0.957). Correlation analysis revealed that several gait and DTC metrics were highly associated with cognitive performance in VP patients.

CONCLUSION: Our study demonstrates that gait parameters provide reliable diagnostic discrimination between VP and PIGD. Moreover, gait parameters were significantly associated with cognitive function in VP patients.

PMID:41582250 | DOI:10.1007/s10072-025-08795-3

Sci Rep. 2026 Jan 25. doi: 10.1038/s41598-026-36801-x. Online ahead of print.

ABSTRACT

The purpose of the study was to investigate novel and green-synthesized ZnO NPs derived from C. cyminum seeds for photocatalytic degradation of the Direct Yellow 86 dye under UV irradiation. The green catalyst cumin-derived Zinc Oxide NPs (GC-C-ZnO NPs) were characterized using Fourier Transform Infrared Spectroscopy (FTIR), Scanning Electron Microscope (SEM), Transmission Electron Microscopy (TEM), and X-Ray Diffraction (XRD). A Box-Behnken Design (BBD) determines optimal conditions for DY86 removal, achieving 94% efficiency at pH 11.0, dye concentration of 30 mg L^-1, catalyst dose of 0.12 g L^-1, and a time of 30 min. The predictive model was statistically validated by analysis of variance (ANOVA), confirming a high correlation coefficient (R² 0.99). Significance was also verified by [Formula: see text] 0.99 and [Formula: see text] 0.98 values. The model and all parameters exhibited exceptional statistical significance (F-value 281.00, P-value < 0.0001). Liquid chromatography-mass spectrometry (LC-MS) analysis confirms diminished peaks at m/z 318.70 after photocatalysis by the GC-C-ZnO NPs. This investigation successfully advanced an efficient, eco-friendly photocatalytic system for enhanced water and wastewater purification. The study demonstrates that GC-C-ZnO NPs provide an efficient and eco-friendly photocatalytic system for the removal of organic dyes from textile wastewater.

PMID:41582248 | DOI:10.1038/s41598-026-36801-x

Sci Rep. 2026 Jan 25. doi: 10.1038/s41598-026-37549-0. Online ahead of print.

ABSTRACT

To measure biceps, triceps, subscapular, and suprailiac skinfold thicknesses, and to construct population growth charts for these skinfolds and for the sum of the 4 skinfold thicknesses. One aim was also to derive the percentage of body fat from skinfold thicknesses, and to determine whether BMI and MUAC could be used to measure body fatness. The research methodology involved a cross-sectional study design, with data collected from children 0-18 years of age across different age groups and in both sexes in the United Arab Emirates (UAE). We included at least 200 children in each age-sex group. Height, weight, biceps skinfold, triceps skinfold, subscapular skinfold, suprailiac skinfold, and mid-upper-arm circumference were measured in each child. We determined whether the calculation of percentage body fat from the skinfold measurements correlated with BMI in the United Arab Emirates population. We also determined whether any of the above is a good indicator of fatness in children. Statistical tests used were Pearson’s correlation, partial correlations and concordance coefficient. The total number of children studied was 19,960 children (9646 boys and 10,314 girls). BMI, upper-arm circumference, sum of four skinfolds, and percentage body fat charts were constructed using the LMS smoothing method. BMI significantly correlated with the sum of skinfold thicknesses and mid-upper-arm circumference. Prevalence of obesity and overweight in ages 13-17 years was respectively 9.94% and 15.16% in females and 6.08% and 14.16% in males. Derived body fat charts were found not to be accurate. BMI and MUAC were not concordant with the sum of 4 skinfold thicknesses. National BMI, upper-arm circumference, and sum of four skinfolds charts have been constructed as a reference standard for the UAE. The sum of four skinfold thicknesses provides a more accurate measure of adiposity than BMI or MUAC in UAE children. These UAE-specific growth charts enable better assessment of childhood obesity.

PMID:41582231 | DOI:10.1038/s41598-026-37549-0