Browse Articles

Surface Water Microplastics in the St. Lawrence River and Estuary in Canada

Microplastics (MPs) are synthetic or semisynthetic polymers that are widely distributed throughout most ecosystems and have the potential to be harmful to living organisms. In this study, we assessed the MP fraction in the top 40 cm of surface water in response to varying salinity levels at 11 distinct sites across the St. Lawrence River and Estuary (SLRE). We employed two sampling nets of different mesh size to collect MPs (100 and 300 µm). These nets were simultaneously towed in parallel from a vessel during three separate sampling events at each designated site. Filtrates collected from these samples underwent analysis of plastic fibers, fragments and spheres utilizing Fourier Transform Infrared Spectroscopy (FTIR). Data unequivocally confirmed the presence of MPs at 100% of the sites sampled within the SLRE. The most abundant categories of MPs identified were the fibers, followed by fragments and spheres. The FTIR analysis revealed the predominant materials to be polyester, polyethylene, polypropylene, nylon, and polystyrene. Notably the findings also suggest MPs are more likely aggregating when salinity increases. This work offers valuable insights into the distribution and behavior of MPs contributing to the preservation and management of water resources.

Author Correction: The syntopic occurrence of velvet mites Trombidium spp. (Acariformes: Trombidiidae) with the first characteristics of the larva of Trombidium heterotrichum

Single-file diffusion of active Brownian particles

Single-file diffusion (SFD) is a key mechanism underlying transport phenomena in confined physical and biological systems. In a typical SFD process, microscopic particles are restricted to moving in a narrow channel where they cannot pass one another, resulting in constrained motion and anomalous long-time diffusion. In this study, we use Brownian dynamics simulations and analytical theory to investigate the SFD of athermal active Brownian particles (ABPs)—a minimal model of active colloids. Building on prior work [Schiltz-Rouse et al., Phys. Rev. E 108, 064601 (2023)], where the kinetic temperature, pressure, and compressibility of the single-file ABP system were derived, we develop an accurate analytical expression for the mean square displacement (MSD) of a tagged particle. We find that the MSD exhibits ballistic behavior at short times, governed by the reduced kinetic temperature of the system. At long times, the characteristic subdiffusive scaling of SFD, [⟨(Δx)2⟩∼ t1/2], is preserved. However, self-propulsion introduces significant changes to the 1D-mobility, which we directly relate to the system’s compressibility. Furthermore, we demonstrate that the generalized 1D-mobility, originally proposed by Kollmann for equilibrium systems [M. Kollmann, Phys. Rev. Lett. 90, 180602 (2003)], can be extended to active systems with minimal modification. These findings provide a framework for understanding particle transport in active systems and for tuning transport properties at the microscale, particularly in geometries where motion is highly restricted.

Therapeutic potential of Bacopa monnieri extracts against hepatocellular carcinoma through in-vitro and computational studies

Background Among various cancers, primary liver cancer is the seventh most diagnosed malignancy and is the second most prevalent contributor to cancer-causing deaths. During conventional treatment, the recurrence of disease, low drug inefficacy, and severe side effects are the main limitations. Recently, natural anticancer medicines from the Middle East, Korea, China, Europe, North America, and India have attracted a lot of interest due to their low side effects and better remedial properties. The current study investigated the antioxidative and anticancer effects of ethanolic (BME) and n-hexane (BMH) extracts of B. monnieri (L.) Wettst. Methods In the current study, phytochemical profiling was done using gas chromatography-mass spectrometry (GC-MS) analysis. The antioxidant potential was measured using DPPH, nitric oxide, superoxide anion, and hydrogen peroxide assays, while the cell viability and apoptotic effect were measured by MTT, crystal violet, and annexin V/PI protocols, respectively. Results Higher concentrations of total phenolic contents (274.92±3.52 mgGAE/g), total flavonoid contents (141.99±4.14 mgQE/g) and tannins (55.49±4.63 mgTAE/g) were observed in BME extract with strong antioxidant potential than BMH extract. Also, BME extract showed higher cytotoxicity with less IC50 value (24.70 μg/mL) and a lower percentage of cell viability, while the same extract exhibited 58.65% apoptosis against HepG2 cells in comparison to cisplatin and BMH extract. Furthermore, Spiro[(tricyclo[6.2.2.0(2,7)]dodeca-5,9-diene)-4,1’-cyclobutane]-11,2’-dione from BME extract showed the lead docking score of -8.8, -8.1 and -7.8 kcal/mol against TGF-βR1, TNF-α, and iNOS, respectively. Conclusion In conclusion, the ethanolic extract of B. monnieri has a significant potential for becoming a potent anticancer drug that effectively treats liver damage, including HCC.

Global incidence and mortality of pancreatitis in women of childbearing age from 1990 to 2021

Experimental evidence of quantum Drude oscillator behavior in liquids revealed with probabilistic iterative Boltzmann inversion

The first experimental evidence of quantum Drude oscillator behavior in liquids is uncovered using probabilistic machine learning-augmented iterative Boltzmann inversion applied to noble gas radial distribution functions. Furthermore, classical force fields for noble gases are shown to be reduced to a single parameter through simple empirical relations linked to atomic dipole polarizability. These findings highlight how neutron scattering data can inspire innovative force field design and offer insight into interatomic forces to advance molecular simulations.

SORFPP: Enhancing rich sequence-driven information to identify SEPs based on fused framework on validation datasets

Background Genome sequencing has enabled us to find functional peptides encoded by short open read frames (sORFs) in long non-coding RNAs (lncRNAs). sORFs-encoded peptides (SEPs) regulate gene expression, signaling, and so on and have significant roles, unlike common peptides. Various computational methods have been proposed. However, there is a lack of contributive features and effective models. Therefore, a high-throughput computational method to predict SEPs is needed. Results We propose a computational method, SORFPP, to predict SEPs by mining feature information from multiple perspectives in an experimentally validated dataset from TranLnc. SORFPP fully extracts SEP sequence information using the protein language model ESM-2 and curated traditional encoding, including QSOrder, k-mer, etc. SORFPP uses CatBoost to solve the sparsity problem of traditional encoding. SORFPP also analyzes ESM-2 pre-training characterization information with the Self-attention model. Finally, an ensemble learning framework combines the two models and their results are fed into Logistic Regression model for accurate and robust predictions. For comparison, SORFPP outperforms other state-of-the-art models in Matthew correlation coefficient by 12.2%-24.2% on three benchmark datasets. Conclusion Integrating the ensemble learning strategy with contributive traditional features and the protein language encoding methods shows better performance. Datasets and codes are accessible at https://doi.org/10.6084/m9.figshare.28079897 and http://111.229.198.94:5000/.

Research on product design priority allocation based on user characteristics classification

Prediction of crystal form and study on crystal growth characteristics of TKX-55—a novel heat-resistant energetic material

5,5′-Bis(2,4,6-trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole) (TKX-55) is a new type of heat-resistant energetic material with excellent detonation performance. To study the crystal particle morphology and size control of TKX-55, this study predicted the crystal structure of TKX-55 through quantum chemistry and molecular dynamics simulations as well as simulated and analyzed the crystal morphology changes that occur under the influence of specific solvents and crystal habit modification. Based on the simulation results, this study designed five different recrystallization methods and prepared recrystallized products with different morphologies and particle size distributions. The crystal growth mechanism was analyzed and discussed. The morphology and structure of the recrystallized samples were characterized using scanning electron microscopy, powder x-ray diffraction, and infrared spectroscopy techniques. The thermal properties of the recrystallized samples were tested using differential scanning calorimetry and thermogravimetric analysis. The impact sensitivity of the recrystallized sample was tested, and it was found that the impact sensitivity of the recrystallized product was significantly lower than that of the TKX-55 raw material. Through the combination of simulation and experiment, this study ultimately obtained three morphology rules, narrow particle size distribution, and effectively improved the safety of heat-resistant energetic material crystal particles.

Transmission matrix parameter estimation of COVID-19 evolution with age compartments using ensemble-based data assimilation

The COVID-19 pandemic, with its multiple outbreaks, has posed significant challenges for governments worldwide. Much of the epidemiological modeling relied on pre-pandemic contact information of the population to model the virus transmission between population age groups. However, said interactions underwent drastic changes due to governmental health measures, referred to as non-pharmaceutical interventions. These interventions, from social distancing to complete lockdowns, aimed to reduce transmission of the virus. This work proposes taking into account the impact of non-pharmaceutical measures upon social interactions among different age groups by estimating the time dependence of these interactions in real time based on epidemiological data. This is achieved by using a time-dependent transmission matrix of the disease between different population age groups. This transmission matrix is estimated using an ensemble-based data assimilation system applied to a meta-population model and time series data of age-dependent accumulated cases and deaths. We conducted a set of idealized twin experiments to explore the performance of different ways in which social interactions can be parametrized through the transmission matrix of the meta-population model. These experiments show that, in an age-compartmental model, all the independent parameters of the transmission matrix cannot be unequivocally estimated, i.e., they are not all identifiable. Nevertheless, the time-dependent transmission matrix can be estimated under certain parameterizations. These estimated parameters lead to an increase in forecast accuracy within age-group compartments compared to a single-compartmental model assimilating observations of age-dependent accumulated cases and deaths in Argentina. Furthermore, they give reliable estimations of the effective reproduction number. The age-dependent data assimilation and forecasting of virus transmission are crucial for an accurate prediction and diagnosis of healthcare demand.

Evaluation of Satanin 1 as a potential antifungal antimicrobial peptide to treat Malassezia infections

Super diffusive length dependent thermal conductivity in one-dimensional materials with structural defects: Longitudinal to transverse phonon scattering leads to <i>κ</i> ∝ <i>L</i>1/3 law

Structural defects in one-dimensional heat conductors couple longitudinal (stretching) and transverse (bending) vibrations. This coupling results in the scattering of longitudinal phonons to transverse phonons and backward. We show that the decay rate of longitudinal phonons due to this scattering scales with their frequencies as ω3/2 within the long wavelength limit (ω → 0), which is a more efficient scattering compared to the traditionally considered Rayleigh scattering within the longitudinal band (ω2). This scattering results in temperature-independent thermal conductivity, depending on the size as κ ∝ L1/3 for sufficiently long materials. This predicted length dependence is observed in nanowires, although the temperature dependence seen there is possibly because of deviations from pure one-dimensional behavior. The significant effect of interaction of longitudinal phonons with transverse phonons is consistent with the earlier observations of a substantial suppression of thermal energy transport by kinks, obviously leading to such interaction, although anharmonic interaction can also be significant.

Impact of memory T cells on SARS-CoV-2 vaccine response in hematopoietic stem cell transplant

During the COVID-19 pandemic, hematopoietic stem cell transplant (HSCT) recipients had elevated mortality rates from SARS-CoV-2 infection, ranging between 10–40%. SARS-CoV-2 mRNA vaccines are important tools in preventing severe disease, yet their efficacy post-transplant remains unclear, especially in patients subjected to myeloablative chemotherapy and immunosuppression. We evaluated humoral and adaptive immune responses to the SARS-CoV-2 mRNA vaccination series in 42 HSCT recipients and 5 healthy controls. Post-vaccination responses were assessed by anti-spike IgG and nucleocapsid levels, and antigen specific T cell activity. Immune profiling was performed using clinical flow and mass cytometry. Patients were selected based on humoral and cellular responses for single-cell RNA with TCR and BCR sequencing. Our studies revealed defects in memory T cells that correlated with an absence of cellular response despite nearly universal humoral response. Several patients with a robust antibody response developed COVID-19 infection, but none developed severe disease or died from the infection.

Regional analysis of APOE polymorphism in Alzheimer’s disease in Spain

Abstract Alzheimer’s disease (AD) is a progressive neurodegenerative disorder with significant cognitive and functional impacts. Genetic factors, particularly the APOE gene and its allelic variants (ε2, ε3, ε4), play a critical role in AD susceptibility. This study analyzed the allelic frequency and distribution of APOE polymorphisms in three provinces of Castilla y León (León, Soria, Salamanca), Spain, to explore their potential relationship with AD risk. Genotypes were determined using polymerase chain reactions, and statistical analyses revealed significant regional variations. The ε3/ε3 genotype was the most prevalent overall, while the ε3/ε4 genotype predominated in specific areas like Ponferrada. The absence of homozygous ε4 individuals in Soria contrasts sharply with higher frequencies in Salamanca. These differences suggest historical and migratory influences on genetic variability. Identifying regional genetic patterns enhances our understanding of AD risk and supports the development of targeted preventive strategies. Early detection of high-risk alleles could improve patient outcomes, reduce healthcare burdens and inform public health policies.

Novel rare-earth doped Cs2NaGdCl6:Sb3+ double perovskite nanocrystals toward good ability of color tuning with high quantum efficiency

All-inorganic halide double perovskites have attracted extensive attention as new luminescent materials owing to their high luminous efficiency and wide emission spectrum. In this work, blue-red bicolor Cs2NaGdCl6 (CNGC) double perovskite nanocrystals doped with Sb3+/Ho3+ were prepared using a hydrothermal method. The incorporation of Sb3+ significantly enhanced the intrinsic “self-trapped excitons (STEs)” with a wide-band bright blue emission centered at 470 nm. On this basis, different concentrations of Ho3+ were introduced to achieve color tunable emission from blue to red region, with extremely high quantum efficiencies of 96.53% and 92.17%, respectively. By the use of diverse methods, including spectroscopic analysis and fluorescence lifetime, the mechanism of efficient luminescence related to the different dopant concentrations was comprehensively explored. Results show that Sb3+ not only can enhance the intrinsic STEs luminescence of the CNGC but also has an efficient activation effect on the rare earth ion Ho3+, because it plays the role as a bridge for the two energy transfer channels between the luminescence centers, and the details of the mechanism and energy transfer efficiency were investigated. Thermal stabilities of the double perovskites were studied over the temperature range of 303–473 K and good performances were demonstrated from the fact that the PL intensities of CNGC:1%Sb3+ and CNGC:1%Sb3+/10%Ho3+ at 423 K were 75.1% and 70.1% compared to those at 303 K, respectively. With the CNGC:1%Sb3+ and CNGC:1%Sb3+/10Ho3+ used, the UV light-emitting diode activated devices were fabricated and characterized. The bright blue and red emissions suggest the materials’ prominent potential in the application of plant lighting. Finally, to achieve white-light emission in the sole CNGC matrix, a strategy of tri-doping Tb3+ was proposed based on the principle of the three primary colors. The device fabrication with CNGC:1%Sb3+/10%Ho3+/2.5%Tb3+ sample and the characterization processes prove its high feasibility and then provide valuable insights in the design of Sb ion-doped lead-free double perovskites toward easily tunable color in a wide range which can be applied in various fields.

Executives’ IT background and corporate digital technology innovation: Evidence from Chinese microenterprises

This study examines how executives’ IT backgrounds affect corporate digital technology innovation, using panel data from listed companies between 2011 and 2021. Findings indicate that executives’ IT backgrounds significantly enhance corporate digital technology innovation, particularly in digital technology invention patents, where the effect is especially pronounced, and the results are robust. Mechanistic analysis suggests managerial myopia and executives’ attention to digital technology are key factors that allow executives’ IT backgrounds to promote corporate digital technology innovation. Further analysis shows executives’ IT backgrounds have a greater promotional effect on digital technology innovation in state-owned enterprises, non-IT sectors, firms with influential executives, and organizations with long-serving executives. Economic analysis reveals that executives’ IT backgrounds can improve corporate financial performance by enhancing digital technology innovation. This paper highlights the importance of executive IT human capital and provides insights into government and corporate talent recruitment policies.

Effect of environmental factors on laccase-mediated 17β-estradiol coupling reaction

Dynamical signature of the onset of sol-gel phase transition in aqueous solutions of hydrophobically modified poly(acrylic acid)-based copolymers

Sol-gel transition-driven relaxation dynamics of aqueous solutions of rationally designed polyacrylic acid (PAA)-based copolymers with hydrophobic modifications were explored by employing time-resolved fluorescence and MHz–GHz dielectric relaxation (DR) measurements. This sol-gel transition driven dynamics was monitored over an incubation period of 30 days, as these systems were found to undergo gelation after a few weeks. The designed PAA-based homo (P0), hydrophobically modified (∼4%) copolymers (P4, P6), and their coumarin 343 (C343) attached analogous copolymers (P4′, P6′) were synthesized by reversible addition–fragmentation chain transfer polymerization and characterized by 1H NMR spectroscopy and size exclusion chromatography (SEC). Dynamic light scattering experiments of aqueous copolymer solutions showed a gradual increment of hydrodynamic diameter (Dh) up to ∼4000 nm, and the onset of sol-gel transition was estimated by locating the intersection of two distinct slopes produced by the plots of average Dh as a function of incubation time. The sol-gel transition for these copolymer solutions (aqueous) was clearly demonstrated by the progressive slowing down of DR times and the rotational fluorescence anisotropy times tracked over the entire incubation period. Interestingly, the onset time for the sol-gel transition was found to be insensitive to the chemical binding of the fluorescent probe to these polymers. A comparison between the steady state UV–VIS absorption and fluorescence spectral characteristics of aqueous solutions of these copolymers with chemically bound and externally added C343 suggested that the sol-gel transition involved polymer aggregation. This study may be useful for designing supramolecular polymer gels for biomedical applications.

The agreement of the various distance walkway in the 6-minute walk test in healthy adults

Background Despite a practical guideline of 30-meter walking path during 6-minute walk test (6MWT), such walking course length is not possible in every clinical setting due to unavailable sufficient space. Existing evidence has investigated using several shorter course lengths, it remains unclear whether a walking course length shorter than the standard walking course length is appropriate for 6MWD testing. This study aimed (i) to compare maximum walking distances at various shorter walking course lengths (i.e., 10, 20, and 25 meters) and 30 meters, and (ii) to assess agreements in maximum walking distances achieved at intervals below 30 meters, specifically 10, 15, 20, and 25 meters. Methods This study was a cross-sectional with cross-over design. Forty-eight healthy participants were randomly ordered to perform 6MWT with five different walkways (10, 15, 20, 25, 30 meters). The maximum walking distance (six-minute walk distance, 6MWD) covered was recorded. Results Eligible participants aged 41.0 ± 17.2 years, with equal sex (24 males) participated in this study. The 6MWD at 10, 15, and 20-meter walkways significantly shorter than the 30-meter standard walkway (489.6 ± 59.3 m, 513.1 ± 62.6 m, 524.7 ± 63.7 m vs 539.1 ± 63.1 m, respectively (P&lt;0.01)). Very strong agreement was observed at 15, 20, and 25 meters with the standard 30 meters (0.819–0.875, P&lt;0.001). Subgroup analysis showed strong to very strong agreement in 10-meter walkway length onwards with the standard walkway length among older adults (0.757–0.918, P&lt;0.001). Conclusions Testing on 20 meters walkway and shorter yielded varied results compared to the standard 30-meter walk, with exceptional congruence observed at 15 meters onwards. In particular, a minimum walkway of 10 meters had strong agreement with a standard 30-meter walkway in elderly.

Quantization of nonequilibrium heat transport models based on isomorphism and gauge symmetry

Abstract The diffusive model in a local thermal equilibrium medium has been well established for classical heat transport. In this study, we investigated the gauge potential formulation of a heat transfer model in a non equilibrium system within classical and quantum frameworks. To achieve this, scalar and vector potential and gauge functions were first introduced to characterize the heat transport model. Subsequently, minimal coupling of the heat potential was established via isomorphic mapping between the heat transport and electromagnetism. The Schrödinger equation with quantized heat potentials that fulfill the gauge symmetry is established. Based upon, we further studied the quantization of enthalpy and entropy from a reversible thermodynamic process, including continuous and discretized system. Later, the connections between the non-isentropic condition and gauge symmetry violation were revealed to categorize classical-permitted and quantum-permitted processes. To support the study, thermal quantities are calculated according to the recent report in literature for the two predicted heat transport modes. Theoretically, it has been shown that the quantization of heat potentials as a consequence of isomorphic characterization and gauge symmetry. By incorporating the critical temperature and local symmetry breaking, it interprets the transition of quantum formulation to classical formulation in finite spatial and temporal limits.