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Consumption of lettuce with seaweed extract biostimulant application improved iron homeostasis in a randomized interventional trial of healthy individuals
Addressable and perceptible dynamic reprogram of ferromagnetic soft machines
Global, regional, and national epidemiology of osteoarthritis in working-age individuals: insights from the global burden of disease study 1990–2021
Deep learning-driven pulmonary artery and vein segmentation reveals demography-associated vasculature anatomical differences
Mathematical modelling of golden apple drying and performance evaluation of solar drying systems using energy and exergy approach
Abstract The study presents the energy and exergy analysis of two differently shaped dryers connected to the two same type of drying system and drying kinetics of the apple slice dried in the stated drying chambers. The exergy inflow, outflow and efficiency of the solar air hears and drying chamber were evaluated. The result revealed that significant variations in energy and exergy efficiencies were observed within the dryers and solar air heaters (SAHs). The average efficiency of SAH 1 and SAH 2 on day 1 were 53.85% and 49.79%, respectively, while the corresponding dryers’ average efficiencies were 37.94% and 36.15%. On day 2, the average efficiency of SAH 1 and SAH 2 were 47.18% and 44.19%, respectively, with the dryers’ average efficiencies of 35.9% and 34.4%. The average exergy efficiency followed the same pattern as energy efficiency, with SAH 1 and Dryer 1 being higher than SAH 2 and Dryer 2 on both days. The drying of apple slices took place entirely during the falling rate period. To predict drying behavior of the apple slices, ten thin-layer drying models were assessed. The Midilli et al. was found the best fit (R2 = 0.9969), followed by Logarithmic and Two-term models.
Cross-species and mammal-to-mammal transmission of clade 2.3.4.4b highly pathogenic avian influenza A/H5N1 with PB2 adaptations
A local adaptive fuzzy spectral clustering method for robust and practical clustering
Genome-wide meta-analysis identifies novel risk loci for uterine fibroids within and across multiple ancestry groups
Abstract Uterine leiomyomata or fibroids are highly heritable, common, and benign tumors of the uterus with poorly understood etiology. Previous GWAS have reported 72 associated genes but included limited numbers of non-European individuals. Here, we identify 11 novel genes associated with fibroids across multi-ancestry and ancestry-stratified GWAS analyses. We replicate a known fibroid GWAS gene in African ancestry individuals and estimate the SNP-based heritability of fibroids in African ancestry populations as 15.9%. Using genetically predicted gene expression and colocalization analyses, we identify 46 novel genes associated with fibroids. These genes are significantly enriched in cancer, cell death and survival, reproductive system disease, and cellular growth and proliferation networks. We also find that increased predicted expression of HEATR3 in uterine tissue is associated with fibroids across ancestry strata. Overall, we report genetic variants associated with fibroids coupled with functional and gene pathway enrichment analyses.
Integrated computational analysis of molecular mechanisms underlying perfluorooctane sulfonic acid induced thyroid toxicity
Abstract Perfluorooctane sulfonic acid (PFOS), a persistent organic pollutant, significantly disrupts thyroid function. This study presented an integrated computational approach, combining network toxicology, molecular docking, and molecular dynamics simulations to systematically elucidate the molecular mechanisms underlying PFOS induced thyroid toxicity. Through integrated analysis of the Comparative Toxicogenomics Database (CTD), GeneCards, and Online Mendelian Inheritance in Man (OMIM) databases, we identified 205 potential thyroid toxicity-related targets. Protein-protein interaction network analysis revealed 34 hub targets, with TP53, JUN, ESR1, AKT1, and CTNNB1 emerging as central nodes in the toxicity network. Functional enrichment analysis demonstrated significant enrichment in the PPAR signaling pathway, fatty acid metabolism, AGE-RAGE pathway, and AMPK pathway, indicating that PFOS influences thyroid function through multiple signaling pathways. Molecular docking studies showed that PFOS forms stable complexes with core target proteins, with binding energies ranging from − 4.9 to -9.7 kcal/mol. Molecular dynamics simulations further validated the structural stability of these complexes, with PFOS-AKT1 and PFOS-TP53 exhibiting the highest conformational stability. This study revealed the multi-target and multi-pathway characteristics of PFOS-induced thyroid toxicity, providing novel insights into its toxicological mechanisms.
SART3 promotes homologous recombination repair by stimulating DNA-RNA hybrids removal and DNA end resection
Establishment and validation of a prognostic nomogram for overall survival in type II endometrial carcinoma patients
Virtual library docking for cannabinoid-1 receptor agonists with reduced side effects
Abstract Virtual library docking can reveal unexpected chemotypes that complement the structures of biological targets. Seeking agonists for the cannabinoid-1 receptor (CB1R), we dock 74 million tangible molecules and prioritize 46 high ranking ones for de novo synthesis and testing. Nine are active by radioligand competition, a 20% hit-rate. Structure-based optimization of one of the most potent of these (Ki = 0.7 µM) leads to ‘1350, a 0.95 nM ligand and a full CB1R agonist of Gi/o signaling. A cryo-EM structure of ‘1350 in complex with CB1R-Gi1 confirms its predicted docked pose. The lead agonist is strongly analgesic in male mice, with a 2-20-fold therapeutic window over hypolocomotion, sedation, and catalepsy and no observable conditioned place preference. These findings suggest that unique cannabinoid chemotypes may disentangle characteristic cannabinoid side-effects from analgesia, supporting the further development of cannabinoids as pain therapeutics.
Assessment of the performances and limitations of spacetime convective corrections for acoustic metacontinua design
De novo designed proteins neutralize lethal snake venom toxins
Surface hydrogen migration significantly promotes electroreduction of acetonitrile to ethylamine
Monocular reading performance measured by MNREAD-P acuity chart in normo-readers schoolchildren
A fast approach for structural and evolutionary analysis based on energetic profile protein comparison
Abstract In structural bioinformatics, the efficiency of predicting protein similarity, function, and evolutionary relationships is crucial. Our approach proposed herein leverages protein energy profiles derived from a knowledge-based potential, deviating from traditional methods relying on structural alignment or atomic distances. This method assigns unique energy profiles to individual proteins, facilitating rapid comparative analysis for both structural similarities and evolutionary relationships across various hierarchical levels. Our study demonstrates that energy profiles contain substantial information about protein structure at class, fold, superfamily, and family levels. Notably, these profiles accurately distinguish proteins across species, illustrated by the classification of coronavirus spike glycoproteins and bacteriocin proteins. Introducing a separation measure based on energy profile similarity, our method shows significant correlation with a network-based approach, emphasizing the potential of energy profiles as efficient predictors for drug combinations with faster computational requirements. Our key insight is that the sequence-based energy profile strongly correlates with structure-derived energy, enabling rapid and efficient protein comparisons based solely on sequences.
Role of trans-resveratrol in ameliorating biochemical and molecular alterations in obese rats induced by a high fructose/fat diet
Abstract We evaluated the effect of trans-resveratrol (RSV) in ameliorating biochemical and molecular alterations in obese Wister male rats fed on high-fat/high-fructose-fed. Male Wister rats were divided into eight groups and fed with either a standard diet (control), high fructose (HF), high fat (HFAT), or a high- fructose high- fat (HF/HFAT) diet and supplemented with RSV (30 mg/kg/day) for 4 weeks. The food intake, body weight, glycemic parameters, lipid profile, oxidative stress were assessed. SIRT1 gene expression, PGC-1α, cyto-c and GLUT-4 were evaluated by qRT-PCR in adipose tissue of normal and obese rats. The body weight gain, serum fasting glucose, insulin, and HOMA-IR values were significantly higher in the HF and HF/HFAT groups than in the HFAT and control groups. Hyperlipidemia was observed in high calorie diets fed rats compared to control group. The levels of total cholesterol, triglycerides and LDL-c were significantly elevated while HDL- c was significantly decreased in HF & HF/HFAT groups compared to HFAT group. The levels of serum malondialdhyde (MDA) and superoxide dismutase (SOD) activity in adipose tissue were elevated in all groups compared to control group, particularly in the groups that were kept on a high fructose diets (HF, HF/HFAT). SIRT-1, PGC-1α, Cyto-c, and GLUT-4 genes levels were significantly down regulated in HF, HFAT & HF/HFAT groups compared to control group. Supplementation of T-RSV restored the alteration in carbohydrates-lipid metabolism as well as oxidative stress and upregulation of SIRT-1, PGC-1α, Cyto-c, and GLUT-4 genes. RSV is a promising treatment in the management of pathologic consequences of obesity from high-calorie diet consumption via molecular alteration of target genes.