Browse Articles
Discover research articles across all indexed journals
Therapeutic role of Crateva religiosa in diabetic nephropathy: Insights into key signaling pathways
Crateva religiosa, a plant used in traditional medicine, is valued for its bioactive properties. Traditional approaches are more accepted worldwide as a cost effective alternatives being used in network pharmacology to explore the complex interactions of drug targets among molecular pathways. The study investigated the potential of Crateva religiosa’s phytoconstituents using meticulous computational analysis and empirical confirmation. The IMPPAT, GeneCards and DisGeNET data bases were used to obtain the active moieties and disease targets respectively. Crateva phytoconstituent’s DN-target network and protein-protein interaction (PPI) network were developed and analyzed using the STRING online platform and Cytoscape software. GO and KEGG analyses were conducted using the g: profiler databases while the process of molecular docking involved the use of MOE software. The screening process identified dillapiole (CR-C1), beta ionone (CR-C2) 10-epi-γ-eudesmol (CR-C3), cis/trans linalool oxide (CR-C4/5) and nerolidol (CR-C6), as potential active phytoconstituents of C. religiosa and AKT1, PPARG, PTGS2, EGFR, ESR1, JAK2, MAPK1, PARP1, GSK3B, and PPARA as matching targets in DN. The enrichment analysis revealed that the common targets were primarily linked to inflammatory response, oxidative stress, immunological modulation, and cell death. The main signal pathways suggested were PI3K-Akt, AGE-RAGE, and IL-17. Moreover, molecular docking analysis determined that the AKT1, PPARG and PTGS2 are the essential targets that had a good affinity for their respective active molecules.
Toxicity of pharmaceutical micropollutants on common carp (Cyprinus carpio) using blood biomarkers
Diffusive dynamics of charge-regulated macro-ion solutions
Onsager’s variational principle is generalized to address the diffusive dynamics of an electrolyte solution composed of charge-regulated macro-ions and counterions. The free energy entering the Rayleighian corresponds to the Poisson–Boltzmann theory augmented by the charge-regulation mechanism. The dynamical equations obtained by minimizing the Rayleighian include the classical Poisson–Nernst–Planck equations, the Debye–Falkenhagen equation, and their modifications in the presence of charge regulation. By analyzing the steady state, we show that the charge regulation impacts the non-equilibrium macro-ion spatial distribution and their effective charge, deviating significantly from their equilibrium values. Our model, based on Onsager’s variational principle, offers a unified approach to the diffusive dynamics of electrolytes containing components that undergo various charge association/dissociation processes.
PCYT2 overexpression induces mitochondrial damage and promotes apoptosis in hepatocellular carcinoma cells
Phosphatidylethanolamine cytidyltransferase 2 (PCYT2) is commonly regarded as the rate-limiting enzyme in eukaryotic phosphatidylethanolamine synthesis. However, the role of PCYT2 in the development of hepatocellular carcinoma (HCC) unknow. In this study, the role of PCYT2 overexpression in the development of HCC was examined by culturing HepG2 cells. We compared the expression levels of PCYT2 in L02 cells and HepG2 cells. Then, the HepG2 cells were infected with the lentivirus, establishing PCYT2 overexpression cell models. The proliferation, migration, and apoptotic abilities of PCYT2 overexpression in HepG2 cells was observed using western blotting, CCK-8 assay, Transwell assay, wound healing, and plate cloning methods. Based on this overexpression model, we determined the mitochondrial function and lipid content of HepG2 cells using lipidomics. CDP-ethanolamine (CDP-Etn), a downstream product of PCYT2, was added to the HepG2 cells, inhibiting their proliferation and migration. BALB/c female nude mice inoculated with subcutaneously transplanted tumors were used to explore the role of PCYT2. The results of the in-vitro experiments, shown that the expression of PCYT2 in normal hepatocytes was higher than that in HCC cells, and addition of CDP-Etn and PCYT2 overexpression inhibited the proliferation and migration of HCC cells, promoted the apoptosis of HCC cells, and caused mitochondrial damage. The results of in vivo experiments demonstrated that the tumor volume in the PCYT2 overexpression group was significantly smaller than that in the blank control group. Thus, PCYT2 overexpression inhibits the development of HCC, and its mechanism may be related to the impairment of mitochondrial function.
Transcriptomic and proteomic integrated analysis reveals molecular mechanisms of 3D bioprinted vaginal scaffolds in vaginal regeneration
On the estimation of center of mass in periodic systems
Calculation of the center of mass of a group of particles in a periodically repeating cell is an important aspect of chemical and physical simulations. One popular approach calculates the center of mass via the projection of the individual particles’ coordinates onto a circle [Bai and Breen, J. Graph. Tools, 13(4), 53 (2008)]. However, this approach involves averaging the particles in a non-physically meaningful way, resulting in inaccurate centers of mass. Instead, the intrinsic weighted average should be computed, but the analytical calculation of this is computationally expensive and complex. Here, we propose a more computationally efficient approach to compute the intrinsic mean that is suitable for the majority of chemical systems.
Does host-guest interaction promote tolerance behavior? The mediating role of place attachment and subjective well-being
This study explores the mediating role of place attachment (PA) and subjective well-being (SWB) in the mechanism of tourist tolerance behavior (TTB) from the perspective of host-guest interaction (HGI). Taking the Two Rivers and Four Lakes Scenic Area and Xingping Ancient Town in Guilin, a world-renowned tourist destination in China, as research cases, this study collected survey questionnaires from tourists in the scenic spots and used structural equation modeling to test the theoretical hypotheses of TTB. The results show that HGI has a significantly positive effect on TTB. Tourists’ PA and SWB play a partial mediating role between HGI and TTB. In addition, the study further verified the role of PA and SWB as chain mediators between HGI and TTB. This study not only expands the research scope of tourist citizenship behavior, but also reveals the key factors to improve TTB in tourist destinations. Finally, it provides relevant insights from the perspective of tourist destination management and services.
Solving the Richards infiltration equation by coupling physics-informed neural networks with Hydrus-1D
Rate enhancing role of molybdenum chloride in molten KCl for methane activation
Molten salts have been recently used as catalysts for methane pyrolysis to generate hydrogen and carbon. It was found that molten alkali chlorides, which are poor catalysts, become rather active upon the addition of a small amount of FeCl3. Calculations have shown that this takes place through an unusual mechanism. Due to fluctuations in the position of the ions, the charge on the iron fluctuates between Fe3+ and Fe2+. The electron required for forming Fe2+ is donated by several chlorine ions, and this causes them to be active in breaking the carbon hydrogen bond in methane. It was suggested that this mechanism is general: it takes place whenever the dopant is such that a lower charge state is possible. We test this hypothesis here by examining KCl doped with MoCl5, MoCl4, or MoCl3. We find that MoCl5 and MoCl4 activate KCl by the mechanism described above. MoCl3 does not because Mo3+ is not converted by fluctuations to Mo2+. We also show that the gas-phase dissociation energy of molybdenum chloride can be used as a descriptor to assess its ability to activate methane. Because it is easy to remove one Cl from MoCl5 or MoCl4, they are effective dopants for methane activation. The energy required for the dissociation of MoCl3 is very high, and doping with MoCl3 does not improve catalytic activity.
Rethinking vegetarianism: Differences between vegetarians and non-vegetarians in the endorsement of basic human values
Differences between the basic human values of vegetarians and non-vegetarians were examined in three studies of samples of adults drawn from general populations, one in the US and two in Poland. Vegetarians were oversampled in the US study (514 vegetarians, 540 non-vegetarians) and in one study in Poland (301 vegetarians, 335 non-vegetarians). In the other Polish study, there 68 vegetarians and 1943 non-vegetarians. Values were measured using Schwartz’s Portrait Value Questionnaire. Across all three studies, Benevolence, Security, and Conformity values were significantly less important for vegetarians than they were for non-vegetarians, although the difference for Conformity was marginally significant (p < .10) in the US study. Across all three studies, vegetarians also endorsed Tradition values less strongly than non-vegetarians, although this difference was not statistically significant in the US study (p = .12). Across all three studies, vegetarians endorsed Stimulation, Achievement, and Power values more strongly than non-vegetarians did. There was only one value, Self-direction, for which the difference between vegetarians and non-vegetarians varied between the two countries. In the US, Self-direction values were more important for non-vegetarians than they were for vegetarians, whereas in Poland the difference was in the opposite direction. Across the three studies, there were only a few instances in which differences between vegetarians and non-vegetarians varied as a function of respondents’ gender. These results suggest that following a vegetarian diet represents a manifestation of values that emphasize independence and individuality, a possibility that is somewhat at odds with how vegetarianism is often discussed.
Utility of unique optical properties of Anethum graveolens green synthesized mediated-alumina nanoparticles for spectrofluorometric determination of darifenacin in pharmaceutical products
Diffusion and friction from force correlations
Friction from solute–solvent interactions governs processes from molecular diffusion to protein folding and is fundamental for understanding molecular dynamics in liquids. While the fluctuation–dissipation relation determines friction and diffusivity via the velocity autocorrelation function, this exact relation is inconvenient for interfacial systems involving extended surfaces. For interfacial systems, alternative approximate friction formulas based on the force autocorrelation function (FACF) have been introduced. However, these approaches face limitations due to the so-called plateau problem, where the FACF integral decays to zero at long times, complicating friction estimation in particular for small systems. We address these challenges by introducing an exact integral method that is based on the FACF and eliminates the plateau problem, ensuring robust convergence even for small systems. Validated through molecular dynamics simulations of molecular diffusion in SPC/E water, our approach accurately yields diffusivity and friction coefficients and enables decomposing diffusivity contributions into electrostatic and Lennard-Jones forces. Our findings provide a framework for estimating friction from molecular simulations and elucidating the dissipative effects of microscopic forces.
Roles of logistics service quality in shaping generation Z customers’ repurchase intention and electronic word of mouth in E-commerce industry
As e-commerce continues to reshape retail landscapes, logistics service quality (LSQ) has become a crucial determinant of customer trust, satisfaction, and long-term engagement. This study investigates the impact of logistics service quality (LSQ) dimensions on the behavioral intentions of Generation Z consumers within Vietnam’s rapidly expanding e-commerce sector. The research focuses on how various LSQ factors—timeliness, personal contact quality, order accuracy, order condition, order discrepancy handling, and return convenience—affect trust and satisfaction, which subsequently influence repurchase intention and electronic word-of-mouth (eWOM). A quantitative approach was employed, gathering data from 495 Generation Z consumers with prior online shopping experience. Partial Least Squares Structural Equation Modeling (PLS-SEM) was used to test the proposed model and its hypotheses. This study found that key LSQ attributes play a significant role in shaping both trust and satisfaction, which, in turn, drive repurchase intention and eWOM. However, the findings indicate that Generation Z’s expectations for seamless logistics experiences vary across different service attributes. While factors such as order accuracy, order condition, and order discrepancy handling contribute to satisfaction, they do not necessarily build trust, highlighting the generation’s high standards and perception of these aspects as fundamental rather than differentiating features. This study challenges traditional LSQ frameworks by highlighting the evolving expectations of digital-native consumers. It offers practical insights for e-commerce businesses, emphasizing the need for a strategic blend of technological efficiency, personalized interactions, and seamless post-purchase services to enhance customer loyalty and competitiveness in the digital marketplace.
Trajectories of sickness absence and disability pension in young working-age adults in Sweden
Abstract Sickness absence and disability pension (SADP) constitute a major public health concern, yet the heterogeneity in the developmental trajectories of SADP remains poorly understood. We aimed to identify trajectories of SADP in an observational cohort study of 12,721 Swedish twin individuals, born 1975–1986, who were initially invited to health screening surveys in 2005. Through linkage to nationwide registries, individuals were prospectively followed regarding annual days of SADP from 2006 to 2020. Using group-based trajectory modeling, we identified three distinct SADP trajectories in the total sample: 'high-increasing’ (4%), 'low-increasing’ (13%), and 'low-constant’ (83%). Next, using multinomial logistic regression, we found that mental health-related factors such as neurodevelopmental conditions and common mental disorders were strongly associated with the high-increasing and low-increasing SADP trajectories. Furthermore, increasing age, female sex, low/medium educational level, and blue-collar work were found to be associated with higher odds of belonging to the high-increasing and low-increasing SADP trajectories. We did not find any effect of genetic similarity. Overall, close to every fifth individual showed rising SADP trajectories over time. Research is warranted to address the specific support needs of vulnerable young people struggling with mental health conditions, and to identify any actionable barriers to facilitate labor market integration.
Towards understanding the driving forces of the formation of multicomponent compounds: The case of complex oxides
The strongest driving forces for the formation of binary compounds (e.g., Na2O, MgO, Al2O3, and SO3) are related to the octet rule (formation of closed electronic shells) and charge redistribution as a result of electronegativity differences. Here, we investigate the driving forces behind the reactions of these binary compounds with each other, traditionally described in the language of acid-base interactions. For example, why do Na2O and SO3 (both of which have a closed-shell electronic structure) react with each other forming Na2SO4? In addition to Na2SO4, we also consider the processes of formation of Mg2SiO4 and MgAl2O4, tracking changes in chemical bonding characteristics and ionic charges of the constituent atoms. We show that in such acid-base reactions, electrons move from the atomic states with higher energies (from the basic oxide-forming element) to atoms with lower-energy states. This happens by changing the degrees of ionicity of bonds, without disrupting the closed-shell electronic structure.
Exploring green purchasing intentions and behaviours among Vietnamese Generation Z: A perspective from the theory of planned behaviour
As environmental degradation escalates, the critical need to understand green purchasing intentions and behaviours among Vietnamese Generation Z becomes increasingly urgent. Although the Theory of Planned Behavior (TPB) has been extensively applied to study pro-environmental behaviours, there remain discrepancies in how green attitudes, green subjective norms, and green perceived behavioural control influence green purchasing intentions and green purchasing behaviours. This study aims to clarify these relationships within the unique socio-economic and cultural context of Vietnamese Generation Z, a demographic influenced by collectivistic cultural values, generational characteristics, and dynamic economic conditions. These factors may reshape the conventional dynamics of TPB. Utilising quantitative methodologies, this research analysed responses from 237 Vietnamese Generation Z consumers through structural equation modelling to assess the impacts of green attitude, green subjective norms, and green perceived behavioural control on green purchasing intentions and green purchasing behaviours, particularly focusing on the mediating role of green purchasing intentions. The findings demonstrate that green attitude, green subjective norms, and green perceived behavioural control significantly affect both green purchasing intentions and green purchasing behaviours, thereby confirming the mediating influence of green purchasing intentions. This research reaffirms TPB’s relevance in Vietnam’s distinct cultural and economic environment while contributing to the broader TPB literature by exploring the mediating effects among key variables. These results also underscore the need for policymakers and businesses to create community-oriented environmental programs and tailor marketing strategies to enhance pro-environmental purchasing among young consumers.
Flexible thin-film thermal sensor for estimating thermal transport properties designed for biomaterial applications
Abstract This study develops a flexible thin-film thermal sensor for estimating the key thermal transport properties of biomaterials, namely thermal conductivity, volumetric heat capacity, and thermal contact resistance. The sensor included a circular thin-film heater and three thin-film NTC thermistors mounted on a polyimide substrate, enabling simultaneous temperature measurements in regions of heat concentration and diffusion. These measurements were used in an inverse analysis based on a three-dimensional heat conduction model. To account for the variability in contact conditions, the thermal contact resistance between the sensor and sample surface was included as an unknown parameter. A trust-region reflective algorithm was used for robust minimization of the objective function. Validation was conducted using standard materials with known properties and porcine fat as a biological sample. The results showed excellent agreement between the measured and simulated temperature profiles. The estimated values for thermal conductivity and volumetric heat capacity closely matched reference values, and the thermal contact resistance was consistently in the order of 10−4 (m2 K)/W, likely owing to surface roughness. These results demonstrate the effectiveness of the proposed sensor and the inverse analysis method in enabling noninvasive and accurate evaluation of thermal transport properties in soft biological tissues.
Improved predictions of nonlinear uniaxial tensile stress in polymer melts by accounting for microscopic conformation and entanglement changes
We investigate the nonlinear response behaviors of polymer melts with molecular dynamics simulation, during which the generalized Kraynik–Reinelt boundary condition is employed to uniaxially stretch the equilibrium polymer melts reaching steady states. By examining the changes in the stretching ratio R(n)nb, the orientational order parameter P2(n), and the entanglement during stretching, we find that the stress predicted based on the initial average entanglement state of the system has obvious deviation under a large strain. Thus, we propose that both the loss of entanglement and the heterogeneous distribution of entanglement points among different chains are essential to account for the nonlinear rheological behaviors. Incorporating these factors leads to a theoretical prediction that better aligns with the simulated stress observed under large strains and reveals the heterogeneity of stress distribution associated with entanglement heterogeneity.
Can splitting influence corporate strategy? Exploring the effects of TMT faultlines on internationalization speed
On the basis of upper echelons theory, this paper examines the effect of TMT faultlines on internationalization speed and considers the contextual factors that may affect the focal relationship. We focus on A-share listed manufacturing enterprises in the Shanghai and Shenzhen stock markets from 2010 to 2016 to explore the nexuses. The conclusions indicate that TMT faultlines exerts a significant negative influence on the speed of internationalization. However, the presence of executives shareholding and dynamic capabilities serve to mitigate the negative impact to some extent. These findings hold both theoretical and practical significance for Chinese firms’ internationalization in the context of the ‘double-loop strategy’.