Browse Articles

Surface structure characterization of rubrene(001) single crystal with sum frequency generation spectroscopy and reflection high-energy electron diffraction

Rubrene is one of the leading organic semiconductors in scientific and industrial research, showing good conductivities and utilities in devices such as organic field-effect transistors. In these applications, the rubrene crystals often contact ionic liquids and other materials. Consequently, their surface properties and interfacial interactions influence the device’s performance. Although rubrene has been extensively studied with multiple structure characterization techniques, a complete description of the structure of rubrene single-crystal surfaces at the molecular level remains elusive. This study elucidates the molecular orientation and arrangement on the surface of rubrene single crystals with sum frequency generation (SFG) spectroscopy and reflection high-energy electron diffraction, respectively. The results confirm the near-surface unit cells with in-plane lattice parameters of a = 7.24 Å and b = 14.3 Å and an out-of-plane constant of c = 26.9 Å. Furthermore, the SFG analysis yields the tilt and rotation angles of θ = 15° and φ = 43° with respect to the crystalline c and a axes, respectively, and an in-plane twist of ψ = 3° for the surface phenyl rings.

Multi-dimensional scaling for space-time transformation to achieve sustainable planning and management of water resource under changing land use pattern

Path integral Monte Carlo in a discrete variable representation with Gibbs sampling: Dipolar planar rotor chain

In this work, we propose a path integral Monte Carlo approach based on discretized continuous degrees of freedom and rejection-free Gibbs sampling. The ground state properties of a chain of planar rotors with dipole–dipole interactions are used to illustrate the approach. Energetic and structural properties are computed and compared to exact diagonalization and numerical matrix multiplication for N ≤ 3 to assess the systematic Trotter factorization error convergence. For larger chains with up to N = 100 rotors, Density Matrix Renormalization Group calculations are used as a benchmark. We show that using Gibbs sampling is advantageous compared to traditional Metropolis–Hastings rejection importance sampling. Indeed, Gibbs sampling leads to lower variance and correlation in the computed observables.

Mitochondrial DNA lineages determine tumor progression through T cell reactive oxygen signaling

Mitochondrial DNA (mtDNA) is highly polymorphic, and host mtDNA variation has been associated with altered cancer severity. To determine the basis of this mtDNA–cancer association, we analyzed conplastic mice with the C57BL/6J (B6) nucleus but two naturally occurring mtDNA lineages, mtDNA B6 and mtDNA NZB , where mtDNA NZB mitochondria generate more oxidative phosphorylation (OXPHOS)-derived reactive oxygen species (mROS). In a cardiac transplant model, mtDNA B6 Foxp3+ T regulatory (Treg) cells supported long-term allograft survival, whereas mtDNA NZB Treg cells failed to suppress host T effector (Teff) cells, leading to acute rejection. When challenged with melanoma or colon cancer cells, the mtDNA NZB mice exhibited strikingly impaired tumor growth while mtDNA B6 mice showed Treg-dependent inhibition of Teff cells and allowed rapid tumor growth. Transcriptional analysis showed that activation of mtDNA NZB Teff cells increased mitochondrial gene expression while activation of mtDNA NZB Treg cells impaired mitochondrial gene expression and resulted in mtDNA NZB Treg cell exhaustion. Induction of the mitochondrially targeted catalytic antioxidant, mCAT, in hematopoietic cells normalized mtDNA NZB Treg function in both transplant and tumor models, indicating a key role for mROS in promoting Treg dysfunction. Anti-PD-L1 therapy did not modulate these effects, indicating that modulation of host mitochondrial function provides an independent approach for enhancing tumor cell destruction.

Changing patterns of general practice services during a period of public sector investment in Britain

Introduction Given the importance of GP care to the public’s health, it is important that we understand how patterns of service use change as levels of investment change. This study investigated GP use in Britain in conjunction with use of outpatient services during a period of investment and during a period of austerity. Method The study used data from the British Household Panel Survey (BHPS) that included service use, morbidity (as an indicator of need) and socio-demographic characteristics (e.g., employment, age, education, and sex). Data for 2000, 2004, and 2008, were specifically chosen for comparison with data from 2015, 2016 and 2017. Service use and respondent characteristics were described using measures of central tendency and dispersion. Multivariable analyses were undertaken using recursive bivariate probit (RBVP) and probit analyses separately for each study year. All analyses were adjusted for cross-sectional weighting. Results BHPS respondents who used outpatient services or GP services had higher morbidity compared to survey participants who did not. Older people, people with lower educational attainment and employed people had higher mean morbidity indices in each study year as did females. Morbidity among service users tended to decline slightly over time. RBVP analyses revealed a significant positive correlation in residuals between outpatient and GP functions in 2000 and 2004 but not 2008. GP consultations and outpatient use remained largely unrelated to socio-economic factors in each year. Survey participants who reported hearing or vision impairment conditions were consistently less likely to use GP or outpatient services in 2000 and 2004, in 2008. Conclusion The results are broadly indicative of stable relationships in service use during a period of healthcare investment but change during austerity. Those who reported, vision, hearing, and skin conditions were consistently less likely to report use of GP or outpatient services, controlling for other aspects of health.

The assessment of chemical composition and biological activity of faba bean pods as a potential feed additive utilized in piglets nutrition

AbstractThe study addresses the utilization of food waste by-products from faba bean (Vicia faba L.) pods (FBP) as an alternative feed supplement to promote sustainable piglet growth by reducing antimicrobial use. Objectives include evaluation of FBP in terms of nutritional components (proximate composition, fibres, minerals), phytochemical composition (total phenols, HPLC-MS profiling), and in vitro biological activities. Air-dried FBP from the cultivar ‘Bizon’ contained high levels of crude protein (144 g/kg), dietary fibre (413 g/kg), potassium (27.8 g/kg), and iron (126 mg/kg). Phytochemical analysis of methanolic extract from FBP revealed significant levels of polyphenols, including vestitol, piscidic acid, hydroxyeucomic acid, quercetin, and kaempferol glycosides with no detectable tannins. The extract showed negligible activity against porcine digestive enzymes (α-amylase, lipase, and trypsin) (IC50 > 4 mg/mL) and demonstrated a dose-dependent antibacterial activity against Escherichia coli and Salmonella enterica in concentrations of 1–8 mg/mL. The extract had low cytotoxicity (IC50 = 432.6 µg/mL) against IPEC-J2 – cells derived from porcine jejunal epithelium. The results indicate that FBP ‘Bizon’ is a valuable source of bioactive compounds with antibacterial properties, without adverse effects on porcine enzymes or IPEC-J2 cells, supporting its potential as a sustainable feed in piglet nutrition, in line with circular economy concepts.

Association between serum uric acid, hyperuricemia and low muscle mass in middle-aged and elderly adults: A national health and nutrition examination study

Backgrounds Recent research suggests that uric acid, as a metabolite with antioxidant properties, may affect muscle function and health. However, the association between serum uric acid (SUA) and low muscle mass remains relatively obscure. This study focuses on the association between SUA and low muscle mass in a middle-aged and elderly population in the United States. Methods Utilizing data from the National Health and Nutrition Examination Survey (NHANES), a total of 12,106 patients aged ≥45 years, possessing complete analytical data, were incorporated. Low muscle mass in our study is defined as indices below 0.789 for males and 0.512 for females, according to the FNIH Biomarkers Consortium. Gender stratified analyses were conducted employing a multivariate weighted logistic regression model. When examining serum uric acid (SUA) levels, the SUA dataset was stratified into deciles, and odds ratios (ORs) were calculated across distinct subgroups of males and females. A restricted cubic spline (RCS) method was employed to investigate the potential nonlinear association between SUA levels and low muscle mass. A series of subgroup analyses stratified by demographic variables and clinical experience were conducted. Results A total of 2,185 participants (18.05%) were identified with low muscle mass, comprising 1,121 males and 1,064 females. Females with low muscle mass had higher SUA levels and an increased incidence of hyperuricemia compared to those without low muscle mass. In females, a fully adjusted multivariable weighted regression model revealed a positive association between hyperuricemia and low muscle mass (OR, 1.43; 95% CI, 1.06 to 1.92; P = 0.021). No significant association was observed in males. Additionally, RCS curves indicated a J-shaped relationship between increasing SUA levels and the risk of low muscle mass in females, and an inverse J-shaped relationship in males. Conclusions This study reveals a significant positive correlation between hyperuricemia and the risk of low muscle mass in middle-aged and older women in the United States, whereas the relationship between SUA levels and low muscle mass did not attain statistical significance. In the male cohort, neither SUA levels nor hyperuricemia demonstrated a significant association with low muscle mass.

Geospatial modeling of near subsurface temperatures of the contiguous United States for assessment of materials degradation

AbstractUnderstanding subsurface temperature variations is crucial for assessing material degradation in underground structures. This study maps subsurface temperatures across the contiguous United States for depths from 50 to 3500 m, comparing linear interpolation, gradient boosting (LightGBM), neural networks, and a novel hybrid approach combining linear interpolation with LightGBM. Results reveal heterogeneous temperature patterns both horizontally and vertically. The hybrid model performed best achieving a root mean square error of 2.61 °C at shallow depths (50–350 m). Model performance generally decreased with depth, highlighting challenges in deep temperature prediction. State-level analyses emphasized the importance of considering local geological factors. This study provides valuable insights for designing efficient underground facilities and infrastructure, underscoring the need for depth-specific and region-specific modeling approaches in subsurface temperature assessment.

Human brain dynamics are shaped by rare long-range connections over and above cortical geometry

A fundamental topological principle is that the container always shapes the content. In neuroscience, this translates into how the brain anatomy shapes brain dynamics. From neuroanatomy, the topology of the mammalian brain can be approximated by local connectivity, accurately described by an exponential distance rule (EDR). The compact, folded geometry of the cortex is shaped by this local connectivity, and the geometric harmonic modes can reconstruct much of the functional dynamics. However, this ignores the fundamental role of the rare long-range (LR) cortical connections, crucial for improving information processing in the mammalian brain, but not captured by local cortical folding and geometry. Here, we show the superiority of harmonic modes combining rare LR connectivity with EDR (EDR+LR) in capturing functional dynamics (specifically LR functional connectivity and task-evoked brain activity) compared to geometry and EDR representations. Importantly, the orchestration of dynamics is carried out by a more efficient manifold made up of a low number of fundamental EDR+LR modes. Our results show the importance of rare LR connectivity for capturing the complexity of functional brain activity through a low-dimensional manifold shaped by fundamental EDR+LR modes.

Child welfare worker perspectives on documentation and case recording practices in Canada: A mixed-methods study protocol

In health care and child welfare, clinical records and case notes serve multiple functions. When records are aggregated and processed to create administrative data, they can be analyzed and used to inform policy development and decision-making. To be useful, such data should be complete, accurate, and recorded in a standardized way. However, sources of bias and error can impact the quality of administrative data. During the development of national child welfare data in Canada, child welfare sector partners expressed concerns about the accuracy and completeness of data about children and families. This protocol describes a study that seeks to answer two questions: 1) What individual and institutional factors influence how client data is recorded by child welfare workers in Canada? 2) What data quality issues are created through documentation and case recording practices that may impact the use of clinical case management system data for public health statistics? In this protocol, we describe an exploratory mixed methods study that involves an online survey, interviews with a purposive sample of child welfare workers, and a document review of case recording guidelines. To be eligible for the study, participants must have worked at a child welfare agency or department with clinical documentation responsibilities as a part of their job. We will use descriptive statistics to analyze the survey data and thematic analysis to analyze the qualitative data. This study will help uncover strengths, limitations, and possible sources of bias created through case recording and documentation practices in child welfare. Study results will be shared through presentations to interest holders and will inform the further development of national child welfare data in Canada.

The fastest nonprofessional age group IRONMAN triathletes in the world originate from Europe

Unveiling the potential anticancer activity of Spirulina maxima extract-nanoemulsion through in vitro and in vivo studies

AbstractBeing the second leading cause of death globally, cancer has been a long-standing and rapidly evolving focus of biomedical research and practice in the world. Recently, there has been growing interest in cyanobacteria. This focus is particularly evident in developing innovative anticancer treatments to reduce reliance on traditional chemotherapy. This study investigates the anticancer potential of the Spirulina maxima extract nanoemulsion (SMNE) technique to improve the delivery, stability, and solubility of the S. maxima extract (SME). SMNE, prepared in three concentrations (SMNEC1, SMNEC2, SMNEC3), was characterized and confirmed to successfully load SME into silica-coated nanoparticles. Cytotoxicity tests on HepG2 and MCF-7 cell lines revealed a significant reduction in cell viability after 48-hour SMNE treatment, with IC50 values of 1488 µg/mL and 1721.936 µg/mL, respectively. SMNE also demonstrated efficacy in inhibiting tumor growth in mice with Ehrlich ascites carcinoma, normalizing alanine aminotransferase (ALT) and aspartate aminotransferase (AST) levels, and reducing oxidative stress markers such as catalase (CAT) and malondialdehyde (MDA). Histopathological examination showed that SMNEC3-treated groups had almost normal liver architecture. Additionally, SMNE downregulated oncogenic miR-221-3p and miR-222-3p, activating cancer suppression genes p27 and PTEN. The study concludes that SMNE, with its anti-inflammatory and antioxidant properties and ability to modulate key miRNAs, enhances SME delivery and shows promise as an effective cancer treatment.

Spatiotemporal expansion of dengue in Brazilian Amazon between 2001 and 2021

Heptamethine cyanine-based polymeric nanoparticles for photothermal therapy in HCT116 human colon cancer model

A lightweight multi scale fusion network for IGBT ultrasonic tomography image segmentation

Renal glomerular and tubular injury in the offspring of the preeclampsia-like syndrome

Temporal and spatial variations of urban surface temperature and correlation study of influencing factors

Epidemiology of respiratory viruses according to age group, 2023–24 winter season, Kyoto, Japan

Dye removal from textile wastewater using scoria-based of vertical subsurface flow constructed wetland system

Sulfoxidation of pyrimidine thioate derivatives and study their biological activities

AbstractIn a quest to innovate biologically active molecules, the benzoylation of 4,6-dimethylpyrimidine-2-thiol hydrochloride (1) with benzoyl chloride derivatives was employed to produce a series of pyrimidine benzothioate derivatives (2–5). Subsequent sulfoxidation of these derivatives (2–5) using hydrogen peroxide and glacial acetic acid yielded a diverse array of pyrimidine sulfonyl methanone derivatives (6–9). In parallel, the sulfoxidation of pyrimidine sulfonothioates (10–12) yielded sulfonyl sulfonyl pyrimidines (13–15), originating from the condensation of compound 1 with sulfonyl chloride derivatives. The newly synthesized compounds underwent characterization via FT-IR, NMR, mass spectrometry, and elemental analyses. Biological screenings unveiled interesting properties: compounds 1 and 6 exhibited significant antimicrobial potency against S. epidermidis and S. haemolyticus, whereas compound 11 showed distinct insensitivity. Excitingly, compounds 12 and 6 showcased robust antioxidant activity by efficiently scavenging DPPH• radical, underscoring their potential in oxidative stress mitigation. Notably, compounds 10 and 12 displayed promising anti-tumor effects, with compound 12 demonstrating superior efficacy against the MCF-7 breast cancer cell line compared to compound 10. The study revealed a spectrum of biological activities across the synthesized derivatives, with modifications often resulting in diminished bioactivity compared to the parent compound 1. These findings shed light on the intricate relationship between chemical modifications and biological properties, offering valuable insights for future drug discovery endeavors.