Browse Articles

Pedagogical applications of all-atom molecular dynamics simulation in coal seam seepage mechanics

Intelligent deep learning for human activity recognition in individuals with disabilities using sensor based IoT and edge cloud continuum

HNF4A ameliorates acute liver failure by inhibiting NCOA4-mediated ferritinophagy

Theoretical analysis of MOFs for pharmaceutical applications by using machine learning models to predict loading capacity and cell viability

Analytical insights and physical behavior of solitons in the fractional stochastic Allen-Cahn equations using a novel method

Anomalous softening of 3D printed elastomeric foam irradiated under compressive strain

A quantitative analysis on policies of China’s fuel cell electric vehicle industry

Mechanical flexibility of fertile frond stipes in the rheophytic fern Osmunda lancea

Predictive modeling of ADME properties using M-polynomial based topological indices for biocompatible polysaccharides

Abstract Dextran and chitosan, two natural polysaccharides, are recognized for their biocompatibility, biodegradability, and structural adaptability. Dextran, composed of glucose units with predominant $$\alpha$$ -(1 $$\rightarrow$$ 6) linkages, exhibits flexible conformations influenced by branching and molecular weight. Chitosan, derived from chitin via deacetylation, consists of $$\beta$$ -(1 $$\rightarrow$$ 4)-linked D-glucosamine units and displays semi-crystalline behavior sensitive to pH and ionic conditions. An in-depth understanding of these structural properties is essential for applications in drug delivery, biomedical engineering, and polymer-based therapeutics. In this study, M-polynomial indices were calculated for dextran and chitosan using the edge/connectivity partition technique. Their predictive utility was evaluated through statistical correlations with several ADME-related physico-chemical properties of polycyclic drugs. Multiple regression models−Support Vector Regression, Lasso, Ridge, ElasticNet, and Multiple Linear Regression−were applied to model these relationships. Performance assessment was conducted using cross-validation and external test metrics, including the coefficient of determination ( $$R^2$$ ), Pearson correlation coefficient (R), root mean squared error, and p-values. Findings indicate that M-polynomial indices can reliably predict key properties such as molecular weight, exact mass, molar refractivity, polarization, complexity, and others. Several models demonstrated excellent predictive strength (e.g., $$R^2 > 0.95$$ ) with statistical significance ( $$p < 0.001$$ ), confirmed through both cross-validation and external validation. A Python-based tool was also developed to automate the computation of M-polynomial indices, enhancing efficiency and reproducibility. The results support the biological relevance of topological descriptors in modeling drug behavior and underline their potential utility in computational drug design, especially for biocompatible polysaccharide-based delivery systems.

Influence of the seasons on the chemical composition and biological properties of pistacia lentiscus L. essential oil in the mediterranean region

Fatty acid analysis identifies an aberrant circulating triglyceride composition in patients with hypertriglyceridemia-induced acute pancreatitis

Single cell spatial transcriptomics links Wnt signaling disruption to extracellular matrix development in a cleft palate model

Abstract Despite advances in understanding the morphological disruptions that lead to defects in palate formation, the precise perturbations within the signaling microenvironment of palatal clefts remain poorly understood. To explore in greater depth the genomic basis of palatal clefts, we designed and implemented the first single cell spatial RNA-sequencing study in a cleft palate model, utilizing the Pax9 −/− murine model at multiple developmental timepoints, which exhibits a consistent cleft palate defect. Visium HD, an emerging platform for true single-cell resolution spatially resolved transcriptomics, was employed using custom bins of 2 × 2 μm spatial gene expression data. Validation of spatial gene expression was then validated using custom designed Xenium In Situ mRNA spatial profiling and RNAscope Multiplex assays. Functional enrichment analysis revealed a palate cell-specific perturbation in Wnt signaling effector function in tandem with disrupted expression of extracellular matrix genes in developing mesenchyme. As a key step toward laying the framework for identifying key molecular targets these data can be used for translational studies aimed at developing effective therapies for human palatal clefts.

Using failure mode and effects analysis for risk management of anesthetic and class I psychotropic drugs in inpatient pharmacy: a pilot study

AGTS: Novel automated generation of smart contract test suites for Hyperledger Fabric

Effects of diamond nanoparticle surface composition and the sp3/sp2 carbon ratio on tumor proangiogenic potential in vitro

Abstract The high proangiogenic potential of tumors is often associated with poor prognosis due to increased invasiveness and malignancy. Diamond nanoparticles (NDs) are considered a promising anti-tumor agent with anti-angiogenic properties; however, their activity is strictly connected with their physicochemical parameters and surface chemical composition. One of the main factors characterizing detonation NDs is the sp2 surface carbon content, which can determine the character of nanoparticle–cell interaction. The primary objective of this study was to investigate the influence of different types of NDs on the proangiogenic potential of tumor cells distinguished by phenotype and invasiveness. NDs with a high sp3/sp2 carbon ratio decreased the levels of crucial proangiogenic proteins secreted by T98G and HepG2 cells (IL-6, IL-8, ANG, TIMPs, and ANGPTs). Moreover, a lower sp2 carbon content on the surface of NDs reduced oxidative stress in both mesenchymal T98G and epithelial HepG2 tumor cells and affected the NF-κB activation state in a cell-specific manner. Modified NDs, by affecting the tumor cell secretome composition, indirectly inhibited endothelial cell migration and tube formation, demonstrating high cell type specificity. Taken together, the results presented here indicate the significance of the surface parameters of NDs in the indirect regulation of cellular signaling and the microenvironment.

Experimental research on the feasibility of phosphogypsum-enzyme induced carbonate precipitation (EICP) solidified loess

In vivo variability of MRI radiomics features in prostate lesions assessed by a test-retest study with repositioning

Abstract Despite academic success, radiomics-based machine learning algorithms have not reached clinical practice, partially due to limited repeatability/reproducibility. To address this issue, this work aims to identify a stable subset of radiomics features in prostate MRI for radiomics modelling. A prospective study was conducted in 43 patients who received a clinical MRI examination and a research exam with repetition of T2-weighted and two different diffusion-weighted imaging (DWI) sequences with repositioning in between. Radiomics feature (RF) extraction was performed from MRI segmentations accounting for intra-rater and inter-rater effects, and three different image normalization methods were compared. Stability of RFs was assessed using the concordance correlation coefficient (CCC) for different comparisons: rater effects, inter-scan (before and after repositioning) and inter-sequence (between the two diffusion-weighted sequences) variability. In total, only 64 out of 321 (~ 20%) extracted features demonstrated stability, defined as CCC ≥ 0.75 in all settings (5 high-b value, 7 ADC- and 52 T2-derived features). For DWI, primarily intensity-based features proved stable with no shape feature passing the CCC threshold. T2-weighted images possessed the largest number of stable features with multiple shape (7), intensity-based (7) and texture features (28). Z-score normalization for high-b value images and muscle-normalization for T2-weighted images were identified as suitable.

Prevalence, safety, and role of nicotine pouches in smoking cessation among smokers and the public in Saudi Arabia

Design and analysis of capacitive pressure sensor with L shaped electrode for enhanced sensitivity

Abstract Accurate pressure measurement is essential across a wide range of fields, including engineering, healthcare, and transportation. This paper presents the design and development of a novel capacitive pressure sensor featuring an extended measurement range and a large pressure application area compared to the parallel plate capacitor configuration. The main innovation lies in the shape and structure of the L shaped electrode which enhances the operational range in terms of the displacement, increased surface area. The sensor exhibits enhanced sensitivity and operational efficiency, making it well suited for diverse applications. The sensor is modeled and simulated in COMSOL MULTIPHYSICS environment to validate its functionality under varying pressure. The electric field distribution, change in capacitance and change in displacement are measurable from the simulation. The sensor is capable of bidirectional making it suitable for the measurement of differential pressure. The proposed sensor simulation results achieve an 11% improvement in both sensitivity and range over conventional parallel plate designs. Furthermore, its ability to operate as a bidirectional device highlights its adaptability and potential for integration into advanced sensing systems.

Alternating movement strategies of a tropical raptor

Abstract The majority of raptor species reside in the tropics, yet very little is known about their movement ecology. However, quantifying movement behavior can provide otherwise elusive information on resource needs, habitat selection, and ecological constraints, which is important for understanding ecological patterns and the management of species of conservation concern. On the Island of Hawai‘i, Hawai‘i, USA, the endemic ‘Io, or Hawaiian Hawk (Buteo solitarius), is a species of conservation concern that little is known of their movement ecology, yet they are dependent on a fragmented and rapidly changing environment. We tracked 15 individuals for up to 18 months across a diverse landscape on the eastern side of the island. We found that all ‘Io occupied a relatively small geographic area, their place of residency, where they spent all or most of their time. However, 10 individuals also exhibited an alternative movement pattern, where individuals repeatedly commuted back and forth between their place of residency to another, geographically disjunct location. These commuter periods, which could last from 24–180 days, were characterized by frequent (9–259) movements, with individual trips lasting 4–77 h away from their place of residency and 12–47 h in between commuter trips. In most cases, individuals went to the same non-contiguous commuting destination, even across multiple commuting sessions, indicating high fidelity to commuting locations. The ‘Io is a forest adapted Buteo but occurs across a diverse landscape from forest to agriculture lands to urban areas. Habitat selection analysis indicated high individual variation among different birds, but generally a preference for forest patches at localized levels. The discovery of the alternative commuting strategy for many ‘Io represents a cryptic movement pattern in the species, demonstrating the power of small, long-lived Global Position System tracking devices to track movement and providing important insights into the ecology of a tropical island raptor.