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Insights into impact of polar protic and aprotic solvents on bioactive features of 3-(Dimethylaminomethyl)-5-nitroindole: A DFT study and molecular dynamics simulations

Polar protic and aprotic solvents can effectively simulate the maturation of breast carcinoma cells. Herein, the influence of polar protic solvents (water and ethanol) and aprotic solvents (acetone and DMSO) on the properties of 3-(dimethylaminomethyl)-5-nitroindole (DAMNI) was investigated using density functional theory (DFT) computations. Thermodynamic parameters retrieved from the vibrational analysis indicated that the DAMNI’s entropy, heat capacity, and enthalpy increased with rising temperature. Natural bond orbital computations elucidated the non-bonded interactions of DAMNI. DAMNI demonstrated promising nonlinear optical properties and chemical reactivity in water, with DMSO being the second most effective solvent. Frontier molecular orbitals and global descriptors confirmed the impact of solvents on intermolecular charge transfer. The docking estimations were conducted to predict the docking pose of DAMNI against ERα and EGFR, both of which are acknowledged for their significance in breast cancer treatment. Upon the docking outcomes, DAMNI revealed superior binding affinity against ERα (calc. –5.8 kcal/mol), in comparison with DAMNI against EGFR (calc. –4.7 kcal/mol). Eventually, molecular dynamics simulations (MDS) were carried out, followed by a binding energy computation utilizing the MM/GBSA approach. Upon the MM/GBSA//150 ns MDS, the DAMNI-ERα complex revealed lower binding energy than DAMNI-EGFR, with ΔGbinding values of −21.1 and −15.4 kcal/mol, respectively. Post-MD analyses showed outstanding constancy of the inspected complexes over 150 ns MDS.

A scoping review of women’s experiences and barriers in automated vehicle research

Automated vehicles (AVs) have the potential to enhance transportation for all, but current research suggests that women remain less engaged and more hesitant toward their adoption. This scoping review systematically analyses 34 peer-reviewed studies published between 2016 and 2025 to assess how women’s experiences, needs, and concerns are represented in AV research. Using thematic analysis, we identify key facilitators and barriers to AV adoption and map them onto a Socio-Ecological Model spanning five levels: individual, interpersonal, institutional, community, and policy. Our findings reveal a critical gap: while gender is frequently recorded as a demographic variable, women are rarely centred as primary users or co-creators in AV design and evaluation. Most studies rely on quantitative, mixed-gender approaches, with limited use of qualitative or participatory methods that could surface the nuanced realities of women’s mobility. As a result, vital concerns—such as safety, emotional comfort, caregiving roles, and design exclusion—are often overlooked in AV research. To address this, we introduce the WISE-AV Framework (Women-Informed Socio-Ecological Framework), which organises the multi-level influences shaping women’s engagement with AVs. This framework extends the Socio-Ecological Model with a gender lens and integrates principles from feminist HCI to emphasise transparency, participation, and embodied experience. Our study offers both theoretical and practical contributions: it provides a roadmap for researchers, designers, and policymakers to create more inclusive AV systems, and it delivers actionable recommendations to ensure that AVs are not just technologically advanced—but socially equitable. We argue that AVs can only fulfil their promise of safer, smarter mobility when they are designed not for a generic “user,” but with the diverse realities of women in mind.

Cooperative Steric Modulation of Flexibility, Disorder, and Pore Size in Two-Dimensional Covalent Organic Framework Membranes for Enhanced Selective Ion Sieving

Fatal Toxoplasma gondii COUG strain infections in southern sea otters (Enhydra lutris nereis): New insight on contributing factors and parasite serotyping

Fatal infections with the rare COUG strain of the zoonotic parasite Toxoplasma gondii were recently detected for the first time in four southern sea otters (Enhydra lutris nereis) exhibiting severe protozoal steatitis. The objectives of this study were to describe new COUG strain infections in sea otters, investigate the potential contributory role of a recently discovered parasite-infecting narnavirus (Apocryptovirus odysseus) in these infections, assess the potential contribution of vitamin E deficiency in the development of systemic steatitis, and explore the utility of serotyping for strain-specific diagnosis of T. gondii infections in sea otters. Since initial reporting, six additional sea otters died due to fatal COUG strain T. gondii infections. Five animals exhibited lesion patterns resembling the prior case definition including severe, widespread steatitis. The final case died due to severe T. gondii-associated meningoencephalitis with no grossly or microscopically apparent steatitis. In contrast with a recent report utilizing a cougar-derived parasite isolate, A. odysseus RNA was not detected in sea otter-derived COUG strain isolates, suggesting that this narnavirus is not associated with fatal COUG strain infections in sea otters. Serotyping using dense granule (GRA) peptides to distinguish between T. gondii strains infecting sea otters suggests that Type X, Type II, and COUG strains exhibit different peptide-reactivity profiles that may allow them to be distinguished serologically. COUG strain T. gondii infections are an emerging threat to southern sea otter population health, and this strain has the potential to infect other animal and human hosts that share their environment and food sources with sea otters. Additional studies are needed to clarify the environmental sources, epidemiology, pathophysiology, and premortem serodiagnosis of COUG strain T. gondii infections in southern sea otters and other susceptible hosts.

A qualitative study to investigate pharmacovigilance systems in Dubai hospitals

Background Ensuring the safety of medications is a significant public health priority, with developed countries implementing robust pharmacovigilance programs. Despite this, healthcare providers continue to underreport adverse drug reactions (ADRs). This study aims to explore the existing pharmacovigilance system and procedure followed for ADR reporting in selected Dubai hospitals. It also identifies the obstacles that may negatively influence ADR reporting. Methods This study was conducted using a qualitative methodology involving in-depth interviews. Convenience sampling was used to select and interview chief hospital pharmacists in Dubai using a semi-structured interview guide. Every interview was audio recorded, verbatim transcribed, and then subjected to a thematic content analysis. The data were analyzed manually by the reading and re-reading of the interviews, and an inductive and flexible approach was undertaken by the research team. Results A total of ten individuals, three chief pharmacists and seven pharmacy managers were interviewed. Seven themes emerged from the interviews’ thematic content analysis, including: (1) Existence of a pharmacovigilance center or unit, (2) Experience with medication safety & ADR concept, (3) Current ADR reporting process in the hospital setting, (4) Barriers to adverse drug reaction reporting, (5) Policy change needs, (6) The factors that could enhance ADR reporting, and (7) Future pharmacovigilance research needs in the UAE. Eight hospitals have ADR reporting systems in their hospital policies while two hospitals don’t have any pharmacovigilance system. Of the eight hospitals, seven have their own software for ADR reporting and one used paper form. Based on the participants feedback, six have full experience with ADR reporting process, while others have partial or don’t have any idea about reporting process. ADR reporting is hindered by a number of factors, such as inadequate awareness and training for pharmacovigilance and ADR reporting process, a communication gap between hospitals and regulatory bodies, time constraints due to numerous responsibilities, and fear of punishment. Conclusion The study found that although hospital pharmacists have a good understanding of medication safety and ADR reporting, they do not actually apply this knowledge into practice. Ongoing training and education on the ADR reporting process have the potential to improve attitudes toward ADR reporting and actively engage individuals in ensuring medication safety within hospital settings. The participation of key stakeholders from the Ministry of Health, academia, the pharmaceutical companies, and healthcare professionals is essential to support the safe and effective use of medications.

Wellbeing across the American Nations: First Settler Effects influence traditional and existential wellness

This study investigates the “First Settler Wellness Effect,” exploring how cultural geography impacts traditional wellness (physical health, social relationships, and financial stability) and existential wellness (purpose, meaning, and community identity) across the United States. Using data from the Gallup-Healthways Well-Being Index, which includes responses from over 325,000 individuals across 110 Metropolitan Statistical Areas (MSAs) from 2009 to 2016, we analyze wellness outcomes through the lens of the American Nations Model. This model categorizes the United States into distinct cultural regions shaped by early settlement patterns, emphasizing the enduring influence of regional norms and ideologies. Our findings, in support of the American Nations Model, reveal significant regional variation in wellness outcomes. Northeastern and Midwestern regions, characterized by communal norms, high educational attainment, and institutional trust, exhibit elevated traditional wellness scores (e.g., β = 0.371, p = 0.002). These regions reflect a stability rooted in health infrastructure and economic security. In contrast, Southern regions, shaped by honor-based values emphasizing personal autonomy, loyalty, and social reputation, show significantly higher existential wellness (e.g., β = 0.590, p = 0.011). This divergence highlights a tradeoff between material stability and existential fulfillment shaped by cultural norms. Interestingly, Southern regions demonstrate elevated existential wellness for Black and Hispanic residents compared to other regions, suggesting localized cultural or community support may offset systemic disparities. Conversely, Northeastern and Midwestern regions report higher traditional wellness yet fail to foster similar levels of existential fulfillment, underscoring the limitations of material prosperity alone. These findings emphasize the interplay between cultural history, regional identity, and human flourishing, offering insights for targeted public health and policy interventions.

Prolonged length of stays and its associated factors among pediatric surgical patients in Oromia, Central part of Ethiopia: A cross-sectional study

Background Pediatric surgical diseases are conditions that require surgery in children to save lives, prevent disability, or provide palliative care. Surgeries can be major or minor based on factors like severity, and complexity. Prolonged hospital stay could significantly affect the limited resources of the hospital, and further lead to post-operative complications, and poor surgical outcome. Identifying the factors that contribute to longer hospital stays could improve quality of patient care and service delivery. However, there is limited evidence in Ethiopia, particularly among paediatrics population. Hence, this study aimed to assess the length of hospital stay and its associated factors among pediatric surgical patients admitted to Adama Comprehensive Specialized Hospital and Asella Teaching Hospital, Oromia, Ethiopia. Methods Institutional based cross-sectional study was conducted through secondary data extraction from February 1, 2023, to January 30, 2024. A simple random sampling technique was employed to select 422 pediatric patients admitted to the surgical units. SPSS version 26 was utilized for analysis and data was presented in frequency, percentage, tables and figures. The association between independent variables and dependent variable (Prolonged Length of Hospital Stay) was assessed using binary logistic regression. A length of hospital stays for more than or equal to 75th percentile (≥ 12.5 days) was considered as prolonged. Finally, variables with p-value <0.05 were considered statistically significant. Results The prevalence of prolonged length of stay was found to be 19.6% [95% CI: 15.8%, 23.4%]. Undernutrition [AOR: 2.6; 95% CI: 1.11,6.08], children admitted due to trauma [AOR: 4.1; 95% CI: 1.75, 9.83], and postoperative complications [AOR: 7.8; 95% CI: 3.99, 15.6] were positively associated with the outcome variable. Whereas, emergency admission [AOR: 0.30; 95% CI: 0.14, 0.61], was negatively associated with prolonged length of stay. Conclusion Approximately one-fifth of the participants experienced prolonged in hospital stays. Therefore, clinical practitionars, hospital administrators and respective stackholders could significantly reduce the childrens length of stay and utilize hospital resources effectively through screening nutritional status, keen attention to trauma admission and monitoring and managing post-operative complications as early as possible.Moreover,ensuring all children to have food security may result in shorter stay in the hospital. Expansion of surgical work force could also improve patient outcome following surgery among paediatrics population.

Investigating the role of family members in postnatal care: Evidence from mother-caregiver dyads in India

Objectives In this study, we examine the dynamics of birthing women relative to other family members in making caregiving decisions about postpartum maternal and infant care in four states in India. Specifically, we investigate the involvement of the father, maternal grandmother, and paternal grandmother of the newborn in household health decision-making. Methods We analyze data from 551 dyads of women with infants under six months and the family caregiver identified as providing the primary support in the postpartum period. We present descriptive statistics on 1) the identity of the primary decision-maker as independently reported by birthing women and caregivers and 2) how disagreements are resolved. Within each dyad, we examine the level of agreement on health decision-making between mothers and caregivers. We use regression models to analyze the association between caregiver identity, and postpartum outcomes. Results Our findings show that decisions in the household are predominantly made by a single person (around 70 percent), either the birthing woman or one of the caregivers – the father, maternal grandmother, or paternal grandmother of the newborn. Across all dyads, birthing women are more likely than other household members to name their caregivers as the sole decision-makers for infant care and their own. The involvement of birthing women in household decision-making is low, with less than a third of birthing women reporting involvement in either. Within-dyad agreement on the identity of sole decision-makers is low, with less than 30 percent of dyads in agreement for both infant and maternal care decision-making. Birthing women experience a higher level of mental well-being on a normalized index by 0.12 standard deviations (sd) when their primary caregiver is their own mother. In contrast, the mental well-being of the birthing women is negatively impacted by 0.10 sd when the caregiver is the mother-in-law. We also observe that the type of caregiver significantly impacts postpartum recovery of the birthing woman. Specifically, birthing women whose caregivers are mothers-in-law are 16.2 percentage points less likely to be well post-delivery. These findings enhance our understanding of the gendered role of caregivers in postnatal care in India, providing new insights into how caregiving and decision-making responsibilities are distributed within families.

Impact of depression, anxiety, and COVID-19 diagnosis on social isolation trajectories during the pandemic: A 3-year prospective cohort study

Background The coronavirus disease 2019 (COVID-19) pandemic has profoundly affected physical and mental health. Since the onset of the pandemic, the prevalence of depression and anxiety has significantly increased. Quarantine and social distancing, implemented to control the spread of COVID-19, have exacerbated social isolation. This study aimed to longitudinally examine how the severity of depression and anxiety, along with COVID-19 diagnosis, influenced the trajectory of social isolation throughout the pandemic. Method This longitudinal study collected data from South Korea in three waves: 2021, 2022, and 2023. The final sample included 2,395 participants (mean age = 46.32, SD = 16.47) who completed a face-to-face interview survey. Depressive symptoms were measured using the Patient Health Questionnaire-9, while anxiety was assessed using the Generalized Anxiety Disorder-7. Social isolation was evaluated using the Loneliness and Social Isolation Scale. The data were analyzed using multilevel modeling with a three-way interaction design. Results A significant three-way interaction was found between time, depression severity, and COVID-19 diagnosis, while anxiety severity showed no significant interaction. Among the participants diagnosed with COVID-19, those with severe depressive symptoms exhibited an increase in social isolation over time. The positive effect of time was strengthened when the depression severity was severe, whereas it was weakened in participants with moderate or mild depressive symptoms. For participants without a COVID-19 diagnosis, social isolation tended to decrease over time across all levels of depressive symptoms, excluding cases with no depressive symptoms. Conclusions The three-way interaction results indicated that the severity of depressive symptoms and COVID-19 diagnosis status significantly influenced social isolation trajectory over time. Individuals diagnosed with COVID-19, particularly those experiencing severe depression, have an increased risk of worsening social isolation over time. This underscores the need for intensive and sustained psychological support and intervention for vulnerable individuals.

Spatiotemporally Resolved Imaging of Adenosine in the Mouse Brain Links Depression and Inflammation

Characterization and experimental investigation of powdered filtration sludge for potential utilization in construction industry

Correction: Simulated larvae dispersion of the invasive sun-coral (Tubastrea spp.) along Rio de Janeiro’s coast: The role of submesoscale filaments on offshore transport and connectivity

An Eocene shallow water isselicrinid sea lilies from the Northern Hemisphere

Abstract Stalked crinoids are uncommon fossils in the Cenozoic. This is particularly due to their continuous decline starting from the Late Cretaceous and gradual restriction to the deep-sea environment, which bears a fossil record bias. On the other hand, in recent times, new data have emerged documenting some relict populations of sea lilies in the shallow marine facies from the Cenozoic. Here, we report shallow-water occurrences of Eocene crinoids from Romania that are classified as Isselicrinus. The representatives of Isselicrinus reached their greatest palaeogeographic distribution during the Eocene in offshore environments, and the only find of these crinoids from shallow-water facies was from the Southern Hemisphere. Thus, our discovery documents the first Eocene shallow-water occurrence of this taxon from the Northern Hemisphere. This finding shows that isocrinids locally might have remained in shallow environments after the initiation of the so-called Mesozoic marine revolution (MMR).

Determinants of sexually transmitted infection-related care-seeking behavior among reproductive-age women in sub-Saharan Africa: A multilevel analysis

Background Sexually transmitted infections (STIs) remain a major public health threats in sub-Saharan Africa (SSA). Delay in seeking care is a significant barrier for the prevention and control of STIs. This study aimed to assess the proportion of women seeking STI-related care and its determinants in SSA. Method This study was conducted using Demographic and Health Survey (DHS) data from eleven SSA countries between 2017/18 and 2022/23. It included 47,924 reproductive-age women who reported having STIs or STI symptoms. A multilevel logistic regression model was fitted to identify factors associated with STI-related care-seeking behavior. The strength of association was estimated using adjusted odds ratios (AORs) with 95% confidence intervals (CIs). Finally, variables with a p-value of <0.05 were considered statistically significant predictors. Result In this study, the overall proportion of women seeking STI-related care was 62.2%. Younger age (AOR = 0.76; 95% CI: 0.70, 0.82), higher education level (AOR = 1.20; 95% CI: 1.13, 1.28), higher wealth index (AOR = 1.58; 95% CI: 1.48, 1.69), having >1 sexual partner (AOR = 1.55; 95% CI: 1.37, 1.75), ever heard of STIs (AOR = 2.16; 95% CI: 1.89, 2.47), asking a husband to use a condom (AOR = 2.10; 95% CI: 1.99, 2.22), being pregnant (AOR = 1.29; 95% CI: 1.21, 1.38), media exposure (AOR = 1.20; 95% CI: 1.14, 1.27), residing in West Africa (AOR = 1.51; 95% CI: 1.41, 1.61), being interviewed in 2019 (AOR = 2.27; 95% CI: 2.13, 2.42), and living in a community with low poverty levels (AOR = 1.23; 95% CI: 1.08, 1.40) were identified as significant predictors of STI-related care-seeking behavior. Conclusion This study revealed that a significant proportion of women did not seek STI-related care. Therefore, national strategies and policies should be implemented to address barriers to seeking care.

Author Correction: Hypoxia mimetics restore bone biomineralisation in hyperglycaemic environments

Performance enhancement of a wind driven PMSG using an artificial neural network based nonlinear backstepping controller

With the increasing demand for wind energy in the electric power generation industry, optimizing robust and efficient control strategies is essential for a wind energy conversion system (WECS). In this regard, this study proposes a novel hybrid control strategy for wind power systems directly coupled to a permanent-magnet synchronous generator (PMSG). The contribution of this work is to propose a control strategy design based on a combination of the nonlinear Backstepping approach for system stabilization according to Lyapunov theory and the application of artificial neural network to maximize energy harvesting regardless of wind speed fluctuations. The hybrid control strategy, which is highly efficient in reducing current/torque ripples, as well as the THD ratio of PMSG currents, was applied to achieve good system performance. The overall system is implemented in MATLAB/Simulink to verify the effectiveness of the proposed control technique under varying wind conditions. Analysis of the simulation results for the proposed control versus field-oriented control (FOC) shows that the proposed control strategy exhibits less ripples in the electromagnetic torque, with the ripple ratio decreasing significantly from 32.95% to 19.43%. In addition, the THDs of the stator current decreased from 20.87% to 14.88%, proving the reliability and efficiency of the proposed control strategy compared to FOC. Meanwhile, these results are valuable for the application of the proposed control strategy in a real WECS system.

Vibration analysis and optimal design of tracked vehicle’s seat suspension for improving combat efficiency

How do digital techniques of shape capture and alignment compare to traditional casting methods when applied to pediatric ankle-foot orthoses (AFOs)?

Achieving optimal alignment and fit is a key aspect of ankle-foot orthosis (AFO) design, as it directly influences the effectiveness of the device. While digital workflows offer the potential to integrate quantifiable alignment measures and corrections into AFO design, a major challenge remains in controlling lower-limb positioning and alignment during 3D scanning. This study aimed to evaluate pediatric AFO alignment and shape differences of directly scanned (live scan) vs casted lower limb models. Eighteen participants aged 4−16 years treated by 5 certified orthotists were recruited. Participants and casts were scanned. Sagittal plane ankle-foot alignment differences were analyzed between pairs of live scan and cast models. Using digital tools, the ankle-foot alignment of the live scans was then corrected, and the alignment differences were re-evaluated to assess the re-alignment methods and allow for further shape comparisons. After correction, modification maps were generated to assess the shape differences (surface deviations) between the live scans and cast models. Shape differences were also assessed with respect to participant characteristics. The results of this study demonstrated that AFO users can be scanned in a nearly corrected position (mean sagittal plane angle difference = 0.85°, SD = 4.44°), and that digital tools can be used to measure and adjust ankle-foot alignment with high accuracy (<1°error). The modification maps revealed that the live scans closely matched the cast models, with shape differences consistently observed in the foot and heel regions. Mean differences ranged −2.12–1.45 mm, positive differences (cast larger) ranged 1.14–2.71 mm, and negative differences (cast smaller) ranged 1.50–3.47 mm. Height, age, and foot length had moderate effects on shape differences (ρ = 0.5–0.75), while significant differences were observed between orthotists (∊2 = 0.32). These findings can drive future advancements in the digital design and fabrication of AFOs.

Correction: The association between non-high-density lipoprotein cholesterol to high-density lipoprotein cholesterol ratio and hepatic steatosis and liver fibrosis among US adults based on NHANES

Age-related change in children’s physical activity and sedentary time: The International Children’s Accelerometry Database (ICAD)

Background Many young people fail to achieve the minimum recommended amount of physical activity to benefit their health. Understanding the nature of age-related changes in behaviour and how this varies for population sub-groups is informative for intervention design. The aim of this study was to describe age-related changes in physical activity and sedentary time and examine variability in patterns of change across demographic sub-groups. Methods Data are from 13 studies in the International Children’s Accelerometry Database (ICAD), all of which provided ≥2 waves of waist-worn accelerometer data. Annual change in sedentary time, light intensity physical activity (LPA) and moderate to vigorous intensity physical activity (MVPA) were estimated using three level mixed effects linear regression models, using participant age as the exposure variable. In interaction models, we examined whether changes in behaviour differed by day of the week (weekday/ weekend), age at baseline assessment (<10/ ≥ 10 years), sex, weight category, maternal education and ethnicity. Results In total, 6567 participants provided two or more waves of valid accelerometer data (44.5% boys, mean (SD) baseline age 10.6 (2.1) years (range 4.1–15.8 years)). Across the week and for all studied sub-groups, sedentary time increased by approximately 25 minutes/day/year of age, LPA decreased by approximately 22 minutes/day/year of age and MVPA decreased by approximately 3 minutes/day/year of age. The annual increase in sedentary time was greater in girls compared to boys (β (95% confidence interval) change (min) for each additional year of age: girls, 25.9 (25.4, 26.4); boys, 23.6 (23.0, 24.2)) and in adolescents compared to children (adolescents, 27.0 (26.5, 27.6); children, (23.5 (22.9, 24.2)). The annual decrease in MVPA was greater in boys compared to girls (boys, −2.7 (−3.0, −2.5); girls, −2.2 (−2.4, −2.0)) and at the weekend compared to during the week (weekend, −3.0 (−3.3, −2.8); weekday −2.3 (−2.5, −2.1)). Conclusion Accelerometer assessed sedentary time increased whilst LPA and MVPA decreased during childhood and adolescence. This overall pattern was observed across the week and in all studied sub-groups, but small differences in the magnitude of changes can be used to guide the timing and targeting of behaviour change interventions, such as designing physical activity interventions which focus on weekends where a child’s time is less structured.