Leisure-time physical activity (LTPA) is a well-established contributor to physical, psychological, and social well-being worldwide. Human touch also plays a vital role in life course health, yet opportunities for safe, consensual touch are often limited, particularly in LTPA settings. For gay, bisexual, transgender, and queer (GBTQ) men, barriers to affirming LTPA spaces can make it particularly difficult to access such benefits. In response, community-based approaches that integrate touch are needed, alongside systematic evaluations of such strategies. "The Studio" (pseudonym), a membership-based wellness community, addresses this gap by offering touch-centered partner yoga and bodywork programs designed to support the holistic health of GBTQ men. This protocol describes a mixed methods evaluation of the Studio's touch-based yoga programming in New York City. The primary aim is to assess the feasibility and acceptability of implementing a touch-centered partner yoga program within a GBTQ community wellness setting. Secondary aims include exploring preliminary physical, emotional, and social outcomes associated with participation, including flexibility, stress, body awareness, social connection, trust, and belonging. The evaluation uses a pre- and posttest mixed methods design. A total of 40-50 participants will be recruited from new Studio members. Quantitative measures will include flexibility (sit-and-reach and goniometry), stress (Perceived Stress Scale), body awareness (Multidimensional Assessment of Interoceptive Awareness), and resilience (Brief Resilience Scale). Social network analysis will map participant connections before and after program participation. Qualitative data will be collected through semistructured interviews with 15-20 participants, or until saturation is reached, focusing on comfort with touch, emotional regulation, and experiences of community connectedness. Survey and interview guides will be codeveloped with a community advisory group to ensure cultural responsiveness and relevance. Findings will be integrated using triangulation methods to explore convergence across data sources. As of March 2026, this study has not yet begun. Institutional Review Board submission is planned for September 2026. Afterward, study instruments will be finalized and pilot-tested with Studio teachers. Participant recruitment is projected to begin in July 2027, and data collection will include 3 time points (baseline, postintervention, and 4-6 wk follow-up). Data analysis and dissemination of findings are expected in 2028. Preliminary pilot testing of the survey instruments with Studio employees and community advisory group members will indicate feasibility and cultural fit. This evaluation will be among the first to systematically examine touch-focused partner yoga for GBTQ men in a community wellness setting. Findings are expected to provide novel insights into the feasibility and the role of intentional touch in LTPA spaces, support trauma-informed and inclusive wellness practices, and contribute to broader discourse on GBTQ health promotion and intervention. Results will be disseminated to the Studio employees, members, and GBTQ-focused wellness organizations, as well as through peer-reviewed publications and conferences.
Although perinatal mood and anxiety disorders (PMADs) are the most common complication of pregnancy, up to 80% of cases go undiagnosed and/or untreated. Community-based doulas provide accessible support before, during, and after birth and can play an important role in alleviating the maternal mental health crisis. However, there is little information on the perception of the role of doulas in improving perinatal mental health. This paper describes insights from a community engagement studio aimed at understanding unique perceptions of doulas on involvement to improve access to perinatal mental health support in New Mexico. Ten doula experts living in the Albuquerque-metro area took part in the studio. They emphasized that mental healthcare is important across the perinatal continuum, and a holistic framework to guide care is imperative. Experts also stressed that normalizing and changing the culture surrounding maternal mental health from fear-based to supportive is a critical step in advancing maternal mental health. Further insights included the importance of and need for doulas to receive additional training in the area of PMADs, developing formal care plans with clients, creating space for doula self-care, and establishing a listening space for co-learning between doulas and researchers as the program evolves. The insights gained through engagement with these expert doulas highlight the importance of voices and experiences of frontline community experts to advance the knowledge of health outcomes associated with doula support in this area.
This study aimed to evaluate and compare the performance of five AI algorithms for tooth segmentation and labeling on intraoral scans, as their performance remains unclear. A total of 100 intraoral scans in the STL file format were classified into two main groups: complete dentition (C) and partial dentition (P, fewer than 12 teeth). Each group was further divided by arch into four subgroups (n = 25 each): complete maxillary (Mx-C), complete mandibular (Md-C), partial maxillary (Mx-P), and partial mandibular (Md-P). The algorithms tested were the Tooth Group Network (Team CGIP), Dentbird Studio (Dentbird), Medit Ortho Simulation (Medit), NemoSmile 3D (Nemotec), and MovumStudio (MovumTech). Manual segmentations by an expert operator served as the ground truth. Performance was assessed using Python and five metrics, with Intersection over Union (IOU) as the primary indicator. Statistical analysis included permutation tests with the Bonferroni-Holm correction (α = 0.05). Significant differences were observed between groups and algorithms (P < 0.05). IOU scores ranged from 0.72 to 0.92 in complete dentition and showed greater variability in partial dentition (0-0.928). The Tooth Group Network and MovumStudio consistently outperformed the others, with MovumStudio achieving the highest performance across all metrics and groups. Its performance matched that of a human expert when compared against a subset of the data. Tooth segmentation and labeling performance vary depending on dentition completeness and algorithm choice. MovumStudio demonstrated the most robust and consistent results, comparable to expert human annotation.
Myocardial infarction (MI) is a cardiovascular disease that is the leading cause of death at all ages. Inflammation and oxidation processes constitute the basic pathophysiology of MI development. C-reactive protein (CRP) and transforming growth factor β (TGF-β) are markers that are often used to evaluate the level of inflammation, especially in MI. This study aimed to evaluate the anti-inflammatory potential of thymoquinone (TQ), the major bioactive compound of Nigella sativa, by assessing its binding affinity through molecular docking, in which TQ exhibited more favorable binding energies compared to the native ligand. Using the VegaZZ, PyMOL, and BIOVIA Discovery Studio tools, AutoDock Vina software was used for in silico research to test the active molecule TQ and produce visual profiles of native CRP and TGF-β ligands. Using the pkCSM method, pharmacokinetic predictions were carried out. Thymoquinone (2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione) showed favorable binding affinity to both CRP and TGF-β, with docking scores of –3.60 and –4.15 kcal/mol, respectively, which are more favorable than those of the native ligands (–2.39 and –2.73 kcal/mol) and comparable to enalapril (–4.84 and –6.13 kcal/mol). The RMSD value for CRP was 1.421 Å, while the value for TGF-β was 0.253 Å, indicating excellent structural alignment and validating the docking approach. These in silico findings suggest that TQ warrants further investigation in vitro and in vivo as a potential modulator of inflammatory pathways in MI.
Malaria vector control with synthetic insecticides can cause resistance, environmental toxicity, and harm to non-target animal species. To address these issues, it is critical to investigate safe and environmentally friendly botanical extraction methods for mosquito control. This study investigates the effects of crude root solvent extracts from Impatiens rothii and Salvia officinalis on Anopheles stephensi eggs and larvae under controlled environments. Fresh roots of S. officinalis and I. rothii were collected separately, allowed to air dry, ground into a powder, and then sieved. The test plant powders were soaked in ethanol and chloroform solvent, and the extracted product was concentrated, forming a desired concentration solution for testing. Aquatain (AMF) was used as the standard control, while 3% of 20 Tween was used as the negative control. Larval mortality was measured after a 24 hours recovery period in each treatment group, and the hatchability of eggs was monitored after 48 hours. Statistical analyses were conducted using R Studio to check normality and identify significant differences between groups, then followed by SPSS, ANOVA to compare extract to standard group and probit regressions for LC50 and LC90 calculations. There were significant differences (P < 0.05) in ovicidal and larvicidal activities between the treatment, negative, and standard control groups. Both the chloroform extract of S. officinalis (LC50 and LC90 values of 83.8 and 305.4 ppm, respectively) and the ethanol extract of I. rothii (LC50 and LC90 values of 64.7 and 214.28 ppm, respectively) demonstrated low LC50 and LC90 values when tested against eggs. Additionally, the larvae treated with the ethanol extracts of I. rothii and S. officinalis presented the lowest larval mortality values, with LC50 and LC90 values of 124.6 ppm and 350.0 ppm, respectively. Aquatain AMF reached 100%, whereas 3% of 20 Tween did not result in egg or larval mortality. The study suggests that root extracts of I. rothii and S. officinalis can be a safe and effective alternative to synthetic mosquitocidal for controlling An. stephensi, suggesting early-stage mosquito control is more efficient than adult control. Further research is required to understand the essential ingredients, their mechanisms of action, efficacy, and safety in larger-scale applications.
The pervasive toxicity of hexavalent chromium (Cr(VI)) to aquatic life and humans urgently demands integrated platforms capable of simultaneous detection and remediation. Herein, a bifunctional platform (CMC/PEI/MIL-53(Fe)/Nap/CP) capable of simultaneous fluorescence detection and photocatalytic removal of Cr(VI) was constructed by in situ growing MIL-53(Fe) on a carboxymethyl cellulose/polyethylenimine (CMC/PEI) matrix grafted with naphthalimide and combining it with cellulose paper (CP). In situ growth ensures the uniform dispersion of active sites, while the paper-based design enhances processability and recyclability. The protonated amino groups of PEI enrich Cr(VI) through electrostatic interactions, while MIL-53(Fe) provides photocatalytic active sites through the Fe3+/Fe2+ redox cycle. Due to the synergistic effect of adsorption and photocatalysis, the removal efficiency reached 99% within 5 h, with a reduction rate of 96%, following pseudo-first-order kinetics (k = 0.9119 h-1). Compared to other recent studies, it offers an excellent removal performance. At the same time, the enrichment effect of PEI enhanced the interaction between Cr(VI) and the naphthalimide fluorophore, achieving a detection limit of 0.34 μM and a KSV of 8.73 × 103 M-1. The good selectivity for Cr(VI) was theoretically verified through simulations by using Materials Studio software (MS). This platform provides a practical bifunctional platform for efficient fluorescence detection and removal of Cr(VI), with broad application prospects in the fields of environmental monitoring and water treatment.
Perineal trauma during vaginal delivery affects most primiparous women, causing significant maternal morbidity including chronic pain, sexual dysfunction, and impaired quality of life. While various physical interventions have been proposed for prevention, their comparative effectiveness remains unclear due to limited head-to-head trials. This Bayesian network meta-analysis systematically compared the efficacy and safety of all available physical interventions for preventing perineal trauma during vaginal delivery. We searched PubMed, Web of Science, Embase, and Cochrane CENTRAL for randomized controlled trials comparing physical interventions including massage, warm compresses, exercise, hands-on/off techniques, lubrication, education, or their combinations for perineal protection. Two independent reviewers screened studies, extracted data, and assessed methodological quality using the Cochrane Risk of Bias tool version 2.0. Bayesian network meta-analyses were performed using R Studio. Surface under the cumulative ranking curve (SUCRA) values were calculated to rank interventions. Thirty-one randomized controlled trials involving 10,745 participants across 15 countries were included, of whom the majority were primiparous women with term singleton pregnancies enrolled in high-resource settings. For overall perineal laceration prevention, antenatal pelvic floor exercise ranked first (RR = 0.50, 95%CrI 0.28-0.87; SUCRA = 86.58%); for episiotomy prevention, massage combined with warm compresses ranked first (RR = 0.53, 95%CrI 0.28-0.93; SUCRA = 90.08%); for intact perineum promotion, massage demonstrated statistically significant superiority (RR = 1.93, 95%CrI 1.16-3.29); for severe perineal pain reduction, warm compresses had the highest SUCRA probability (SUCRA = 74.51%), though pain findings are exploratory given sparse network structures and wide credible intervals. All physical interventions demonstrated excellent neonatal safety. Education-only interventions showed no protective effects (RR = 1.03). Antenatal pelvic floor exercise represents the optimal first-line prevention strategy with 50% risk reduction. For women without prior training, warm compresses and intrapartum massage provide effective alternatives. Findings for pain outcomes should be interpreted as exploratory. Broader implementation of evidence-based physical interventions as evidence-informed strategies could help reduce the burden of perineal trauma, particularly among primiparous women in well-resourced settings, though generalizability to multiparous women and low-resource environments requires further investigation. https://www.crd.york.ac.uk/PROSPERO/, identifier CRD42025633266.
Currently, energetic materials usually accelerate the thermal decomposition process and enhance the combustion efficiency by incorporating high-efficiency catalysts. However, constructing catalytic materials with high specific surface area, electrical conductivity, and mass transfer efficiency has always been a difficult problem. In this work, 3DM CuO/Co3O4 was synthesized via a template-calcination method. Subsequently, 3DM CuO/Co3O4 was combined with Ti3C2Tx by electrostatic assembly to obtain a 3DM CuO/CO3O4-Ti3C2Tx composite. Characterization revealed that the composite exhibits a higher specific surface area (70.15 m2/g), enhanced electrical conductivity, and obvious catalytic effects in the thermal decomposition and combustion processes of typical energetic materials such as TKX-50 and ammonium perchlorate (AP). Specifically, 3DM CuO/CO3O4-Ti3C2Tx can reduce the thermal decomposition peak temperature of TKX-50 by 32.4 °C, advance the high-temperature decomposition peak of AP by 72.7 °C, and significantly increase the heat release. Moreover, the composite can increase the flame combustion duration and intensify the flame for TKX-50 and AP. Possible catalytic mechanisms were proposed based on LAMMPS, Materials Studio adsorption simulations, and TG-MS-IR coupled analysis. 3DM CuO/CO3O4-Ti3C2Tx can accelerate the H+ transfer and redox processes by adsorbing the ions in TKK-50 and AP, thereby speeding up the overall thermal decomposition process. Finally, 3DM composite materials were incorporated into TKX-50/AP/HTPB propellant strands, resulting in a remarkable enhancement in burning rate. This study provides theoretical insights for the future development of high-performance catalytic materials in the field of energetic materials.
This article presents the designs of simple dual-slot L-shaped microstrip antennas with coaxial-feeding that require only two cuts of slot, operating at frequencies of 0.7 GHz, 2.1 GHz, and 3.5 GHz, which align with the fifth-generation (5G) new radio (NR) frequency bands n28, n1, and n78, respectively. These antennas are designed to support low- and mid-band 5G applications while accommodating demand for simple and low-profile designs. All rectangular microstrip antennas have been designed using a fundamental microstrip formula, followed by modifications to ensure optimal performance by integrating rectangular slots on the radiating patch and variably shaped slots on the ground plane to improve the reflection coefficient, S11, gain, and efficiency, with varying effects across frequencies. The proposed microstrip antennas yield S11 less than - 10 dB, approximately 2 dB gain, and efficiency surpassing 50%. Meanwhile, the validation measurements show a minimum S11 of - 18.7 dB at 0.7 GHz and a maximum gain of 2.4 dB at 3.5 GHz. All designs are simulated and analyzed in CST Microwave Studio using the Rogers RT/Duroid 5880 substrate, prior to the validation via a vector network analyzer and an anechoic chamber.
Child undernutrition is a critical public health issue in Pakistan. While multiple factors contribute to undernutrition, the role of household-level access to Water, Sanitation, and Hygiene (WASH) services remains inadequately explored. This study aims to examine the relationship between household WASH services access and the nutritional status of children under five. This cross-sectional study utilised data from the Pakistan Demographic and Health Survey (PDHS 2017-18). Household WASH services access was the primary independent variable categorised using WHO/UNICEF JMP scale, while child nutritional outcomes, including stunting, wasting, and underweight, were taken as dependent variables. Multivariate logistic regression was used to evaluate these associations, with adjustments made for potential confounders. Data analysis was conducted using R Studio. The prevalence of stunting, wasting, and underweight in the study cohort was 38%, 8%, and 21.6%, respectively. In adjusted analyses absence of water service (aOR = 1.52; 95% CI: 1.01-2.26; p = 0.041), basic sanitation (aOR = 1.38; 95% CI: 1.07-1.63; p = 0.040) and hygiene facilities (aOR = 1.66; 95% CI: 1.34-2.25; p = 0.036) were associated with higher odds of underweight. Similarly, lack of hygiene facilities (aOR = 1.61; 95% CI: 1.07-2.44; p = 0.023) and water service (aOR = 1.49; 95% CI: 1.01-2.21; p = 0.046), and unimproved sanitation facilities (aOR = 1.30; 95% CI: 1.03-1.65; p = 0.027) increased the odds of stunting in children under five. However, no significant association was found between WASH indicators and wasting. Child age, low maternal education, recent diarrheal illness, and household poverty were among other strong predictors of undernutrition. Province-wise analysis revealed that higher undernutrition coincided with poorer household-level WASH access, particularly in Balochistan, FATA, and Sindh, while GB and ICT showed both better services and outcomes. Inadequate household-level access to water, sanitation, and hygiene services is significantly associated with higher odds of underweight and stunting in Pakistani children under five. However, household WASH services access was not significantly associated with wasting. Targeted WASH interventions may help reduce chronic undernutrition, especially in underserved regions.
The increasing demand for sustainable energy carriers highlights the need for safe and efficient hydrogen storage materials. MXenes, owing to their layered structure and tunable surface chemistry, have emerged as promising candidates for solid-state hydrogen storage. In this study, hydrogen adsorption on Ti-C-based MXenes is systematically investigated with particular emphasis on the role of fluorine surface termination. The results show that pristine Ti-C MXene exhibits limited hydrogen uptake, whereas fluorine termination significantly enhances adsorption performance. Aluminum atoms, inherently present in the MXene-based structures considered, mainly contribute to the structural stability of the layered framework. A mixed Ti-C-Al-F configuration shows good agreement with available experimental data, particularly at higher pressures. Structural and dynamical analyses reveal pronounced H₂-F interactions and reduced hydrogen mobility near the MXene surface, while the calculated heats of adsorption indicate a physisorption-dominated mechanism favorable for reversible hydrogen storage. These findings provide a unified molecular-level understanding that links adsorption thermodynamics and diffusion behavior in MXene-based hydrogen storage systems. Hydrogen adsorption was studied using a combined Grand Canonical Monte Carlo and molecular dynamics simulation approach implemented in the Materials Studio 2017 software package. GCMC simulations were used to generate adsorption isotherms at 298 K and pressures up to 35 bar, while molecular dynamics simulations were performed to analyze adsorption sites, diffusion behavior, and host-guest interactions. Interatomic interactions were described using classical force-field methods, with the Universal Force Field applied to MXene atoms and a rigid molecular model used for hydrogen.
Root canal treatment aims to eliminate organisms within the canal system through the removal of pulp tissue, infected dentin, and necrotic materials. However, experiencing pain or swelling after root canal operations can be a significant concern. Minimally invasive (MI) techniques, such as the TruNatomy rotary file system, are intended to preserve tooth structure. However, conventional systems, such as ProTaper Gold rotary file system, aim for complete debridement. In this meta-analysis, we aim to assess the efficacy of the TruNatomy and ProTaper Gold in reducing postoperative pain. In November 2025, we conducted a systematic search of PubMed, Scopus, Web of Science, and the Cochrane Library for randomized controlled trials (RCTs) comparing TruNatomy to ProTaper Gold in adult patients with pulpitis. For the meta-analysis, we used R 4.5.0 with R Studio 2024.12.1 + 563. Using a random-effects model, we evaluated dichotomous data using risk ratios (RRs) and 95% confidence intervals (95% CI); whereas continuous data were analyzed using standardized mean difference (SMD) and 95% CI. Visual inspection of the forest plot was used to determine statistical heterogeneity between trials, in addition to I-squared (I2) and chi-squared (Chi2) statistics. Our analysis included four RCTs comprising 381 patients. Pooled analysis showed no statistically significant difference between TruNatomy and ProTaper Gold in pain intensity at 24 h (SMD = 0.03, 95% CI -0.17; 0.23), 48 h (SMD = 0.13, 95% CI -0.16; 0.42), or 72 h (SMD = -0.59, 95% CI -1.33; 0.14). There was no significant difference between the two groups in analgesic intake (RR = 1.2, 95% CI 0.70; 2.06). Also, the presence of postoperative pain at 24 and 48 h was similar in both groups. The results showed low statistical heterogeneity for most outcomes; however, the results should be interpreted with consideration of the clinical variability between the included studies. According to our data, the TruNatomy showed no superiority over ProTaper Gold rotary file systems in managing postoperative pain following root canal therapy. The choice of either approach may be based on other criteria, such as dentin preservation or operator preference. Thus, future large-scale clinical trials should validate these findings.
Background/Objectives: To compare the efficacy of two aligner systems (Invisalign and Eon Aligner) across multiple linear and angular movements. Methods: A total sample of 80 patient cases (n = 40 in each group) was recruited retrospectively. Per case, 3 digital models were retrieved in the form of stereolithography (STL) files. Predicted and achieved tooth movements were measured using the 3Shape Clear Aligner Studio. Initial models were aligned on the predicted and achieved models to create superimposition. Differences in measurement between pre-treatment, predicted, and post-treatment scans were measured. Agreement between the two, Invisalign and Eon, was measured using the interclass correlation coefficient (ICC). Results: Both Invisalign (ICC = 0.82; 95% CI 0.66, 0.9) and Eon Aligner (ICC = 0.75; 95% CI 0.53, 0.87) have shown good agreement when calculating the average differences between the achieved and predicted interpremolar width values. Similar results were found for both intercanine width values (Invisalign: ICC = 0.96; 95% CI = 0.93, 0.98 vs. Eon Aligner: ICC = 0.98; 95% CI = 0.97, 0.99). In Eon cases, good to excellent agreement between the achieved and predicted models was observed for lateral (ICC = 0.89; 95% CI = 0.79, 0.94) and central (ICC = 0.93; 95% CI = 0.87, 0.96) mesiodistal rotations. Conversely, Invisalign displayed moderate strength of agreement for the lateral (ICC = 0.68; 95% CI = 0.40, 0.83) and central (ICC = 0.70; 95% CI = 0.44, 0.84) mesiodistal readings. While both aligners demonstrated some level of predictive capacity towards horizontal movements, they were unreliable in predicting vertical movements. Differences in magnitude of change between initial and achieved values between Eon and Invisalign were noted only for certain teeth in the case of horizontal and vertical movements. Conclusions: Both clear aligner therapy systems were able to achieve satisfactory outcomes in terms of inter-premolar and intercanine width changes. Eon Aligner, on the other hand, outperformed Invisalign in terms of rotational accuracy and horizontal movement precision. Notably, both systems demonstrated poor predictability for vertical movements and suffer from significant systemic bias requiring over-correction.
Research on novel co-crystals has long been a focal point in the field of high-energy material modification. In the present exploration, density functional theory (DFT) and molecular dynamics (MD) simulations were employed to investigate the properties of pentaerythritol tetranitrate (PETN)/3,4-dinitrofurazanofurazan (DNTF) mixtures across a molar fraction interval of 9:1 to 1:9. This study incorporated a comprehensive analysis of multiple key characteristics, encompassing the surface electrostatic potential of molecules, atomic interaction lines, binding energy values, trigger bond lengths, cohesive energy density, together with the mechanical behaviors of the designated assembly. Additionally, the detonation characteristics of pure PETN, pure DNTF, and the PETN/DNTF system were predicted using the EXPLO-5 software in conjunction with the nitrogen equivalent coefficient (NEC) method. The outcomes of the study uncovered significant divergences in the surface electrostatic potential of PETN versus DNTF molecules. These disparities indicate that intermolecular interactions across different molecular species are stronger than the interactions within homogeneous molecular groups, which in turn points to the viability of co-crystal synthesis between PETN and DNTF. A peak value of binding energy was ascertained at a molar ratio of 3:7, indicating the highest likelihood of co-crystal formation at this composition. The primary driving forces for co-crystallization were identified as electrostatic forces and van der Waals forces. The as-obtained co-crystal explosive demonstrated modest sensitivity and intermediate mechanical behavior. In a similar vein, the detonation behavior of the co-crystal at a molar ratio of 3:7 fell between that of pure PETN and pure DNTF, positioning it as a novel type of insensitive high-energy material. Materials Studio software was utilized to forecast the characteristics of PETN/DNTF co-crystals with varying molar ratios and crystal planes via molecular dynamics (MD) simulations. The MD simulations were performed with a time step of 1 femtosecond (fs) and a total simulation duration of 2 ns (ns). An isothermal-isobaric (NPT) ensemble was employed for the 2 ns MD simulations. The COMPASS force field was adopted, with the temperature set at 295 Kelvin (K). For the prediction of detonation characteristics, the EXPLO-5 software was combined with the nitrogen equivalent coefficient (NEC) method.
CL-20/BMDNP eutectic explosive is a late-model explosive with excellent energy density and detonation parameters, but it still has higher sensitivity than TATB and FOX-7. In an attempt to reduce the sensitivity of CL-20/BMDNP eutectic explosive, a CL20/BMDNP eutectic model was installed in the paper. Polymer-bonded explosives (PBXs) were obtained by adding five different types of polymers, such as butadiene rubber (BR), ethylene-vinyl acetate copolymer (EVA), polyethylene glycol (PEG), fluoropolymer (F2603), and polyvinylidene difluoride (PVDF), to six cleavage surfaces(1 0 0), (0 0 1),(0 1 1),(0 -1 1), (1 1 0), and (1 -1 0), respectively. The sways of various polymers on the stability, trigger bond length, mechanical properties, and detonation properties of PBXs were predicted. The CL-20/BMDNP/PEG model has maximum binding energy and minimum trigger bond length among the five PBX models, manifesting that the CL-20/BMDNP/PEG model has tip-top stability, compatibility, and lowest sensitivity. Besides, despite the CL-20/BMDNP/F2603 model exhibiting exceptional detonation competences, it is supposed to denote that this model revealed a low level of compatibility. In conclusion, the CL-20/BMDNP/PEG model showed better integrated capacities, indicating that PEG is a more appropriate binder choice for PBXs on the basis of the CL-20/BMDNP cocrystal. The molecular dynamics (MD) simulation method was used to investigate the properties of CL-20/BMDNP eutectic and its PBXs composites. All simulations were performed in the Materials Studio software platform. The COMPASS force field suitable for energetic materials was selected in the simulation process. The system was first equilibrated under the Isothermal-isobaric (NPT) ensemble at 295 K; the simulation duration was 2 ns, and the integration step was 1 fs.
The widespread use of fluoroquinolones for the treatment of Gram-negative bacterial infections has contributed to the rising prevalence of antimicrobial resistance. However, limited studies have systematically analyzed the prevalence of fluoroquinolone resistance (FQR) and its associated risk factors. A systematic review and meta-analysis were conducted, screening studies published between January 1, 2014, and October 31, 2024, from the PubMed, Medline, Embase, and CINAHL databases. Studies were included based on the following criteria: observational designs, evaluation of Gram-negative bacteria for FQR in human subjects, and investigation of FQR and associated risk factors. Data analysis, including pooled prevalence estimation and odds ratio calculation, was performed using R Studio (Version 4.2.3) with the metafor package. Heterogeneity among studies was assessed using Q and I 2 statistics. A funnel plot was used to assess potential publication bias among the included studies. A total of 24 studies were included in the systematic review and meta-analysis. The pooled prevalence of FQR across pathogens was 35% (95% CI: 30%-40%), with species-specific rates of Campylobacter spp. (49%), Escherichia coli (35%), Klebsiella spp. (23%), Mycobacterium tuberculosis (40%), Pseudomonas aeruginosa (34%), Proteus spp. (45%), and others (26%). Subgroup analyses showed variation by fluoroquinolone generation and year of publication, with E. coli displaying increasing resistance trends over time. Risk factors significantly associated with FQR included the presence of an indwelling catheter, advanced age, prior hospitalization, previous fluoroquinolone or other antibiotic use, drug-resistant TB, international travel, sex, and unfavorable treatment outcomes. Although the overall prevalence of FQR was modest, increasing trends in E. coli and the presence of multiple associated risk factors highlight important clinical implications. These findings emphasize the need to consider prior antibiotic use and hospitalization when guiding treatment and antimicrobial stewardship. However, these results should be interpreted with caution due to high heterogeneity and variability across the included studies.
Integrating municipal solid waste (MSW) treatment with chemical looping combustion technology offers a promising strategy for energy recovery and pollution/carbon reduction. While pyrolysis serves as the crucial first step in this process, its fundamental reaction mechanisms remain incompletely understood. This study employs ReaxFF molecular dynamics simulations to investigate early-stage pyrolysis behaviors of MSW, focusing on the effects of temperature and H2O/CO2 additives on pyrolysis characteristics and nitrogen transformation pathways. The results indicate that inorganic gas yields increase with temperature, while among organic gases, C2H4 demonstrates both the earliest formation and the highest yield. The maximum gas yield (60.4%) and light tar production (32.9%) occur at 2500 K. 10 wt% CO2 and 10 wt% H2O enhance organic gas production. The promoting effect of H2O is more pronounced, increasing the output of organic gases by 4.9% while promoting the decomposition of heavy oil and char. Nitrogen migration analysis reveals a progressive transformation from char-N to gas-N with increasing temperature. Under continuous high-temperature conditions, these N compounds further convert into NH3 and CH3N. This atomic-level investigation provides insights into the pyrolysis behavior of multi-component waste, offering theoretical support for further studies on the interaction between pyrolysis products and oxygen carriers. In the Forcite module of Materials Studio, the COMPASS II force field is employed to perform geometric optimization and annealing for the construction of the MSW models. ReaxFF MD calculations are conducted using the ReaxFF module within the Amsterdam Modeling Suite computational platform. Force field parameters for H/C/O/N/S/B are adopted, and temperature is controlled via the Berendsen thermostat.
Milk kinship, in some cultures, posits that infants who receive breast milk from non-biological mothers establish a consanguinity, prohibiting future marriage between the recipient infants and the biological children of the breastfeeding mother. This kinship may be influenced by specific miRNAs in breast milk that modulate gene expression epigenetically, leaving marks within the recipient infants. This study aims to identify lactation-specific miRNAs shared among milk siblings, compare miRNA similarity between a breastfeeding mother's milk and milk siblings' plasma, and determine their persistence post-infancy. RNA was extracted from plasma and breast milk samples, followed by NanoString miRNA analysis to profile individual miRNAs. Differential Gene Expression (DGE) analysis using the R studio NOISeq package identified significantly expressed miRNAs across all samples. Detailed comparisons revealed that several similarly detected miRNAs in milk siblings were present in their corresponding breastfeeding mother's milk. DGE analysis identified five miRNAs: hsa-let-7b-5p, hsa-miR-223-3p, hsa-miR-873-3p, hsa-miR-23a-3p, and hsa-miR-378e, with hsa-miR-23a-3p exhibiting the most consistent expression pattern throughout the study. This study successfully identifies potential lactation-specific miRNAs that may be shared between milk siblings, providing valuable insights and laying a foundation for future identification of milk kinship biomarkers. However, despite promising findings, current evidence remains insufficient to establish a definitive link between these miRNAs and milk kinship. Further research is required to confirm these findings.
Female health literacy (FHL) remains poorly understood in professional soccer, despite its relevance to injury prevention, performance, and career longevity. This study assessed FHL among players and staff at a professional soccer club. Cross-sectional questionnaire. Sixteen female players (18-35 y, 16 h/wk training) and 6 staff (5 coaching/performance, 1 support/operational; 2 females, 4 males) participated. A bespoke 42-item questionnaire (Qualtrics) assessed FHL across 8 domains: menstrual health, breast health, pelvic floor health, low energy availability, bone health, concussion, anterior cruciate ligament injury, and pregnancy. Scores (max = 49) reflected overall FHL. Participants also rated their confidence in their current knowledge and comfort discussing each domain on a 5-point Likert scale. Data were analyzed using linear models (R Studio). Overall FHL scores did not differ (t20 = 1.21, P = .24) between players (median: 54.7% of correct answers given) and staff (63.8%), although marked within-group variance (players: 27%-81%; staff: 54.1%-81.6%) was evident. Staff scored higher in the pregnancy domain (t20 = 2.97, P = .007); no other domain showed between-group differences (P ≥ .06). Players (4 [1-5]) and staff (3 [1-5]) reported similar comfort levels discussing FHL domains, and confidence levels in their FHL knowledge were also comparable between players (2 [1-4]) and staff (3 [2-4]). FHL scores among professional soccer players and staff are highly varied. Improving FHL through targeted, context-specific education and structural support may promote informed decision making, and support player performance and well-being.
To elucidate the performance mechanisms and limiting factors of UiO-66-NH₂ in catalyzing biodiesel production from waste oil at the molecular level, this study integrates experimental investigation with molecular dynamics (MD) simulations. Initially, UiO-66-NH₂ with high crystallinity and octahedral morphology was synthesized via an atmospheric solvothermal method. Single-factor experiments optimized the transesterification process parameters: alcohol-to-oil molar ratio of 15:1, catalyst loading of 3 wt%, reaction temperature of 50 °C, reaction time of 120 min, ultrasonic power of 90 W, and the addition of 50 wt% deep eutectic solvent (DES), achieving a biodiesel yield of 68.886%. The core analysis involved constructing a "waste oil-UiO-66-NH₂-ethanol" trilayer interface model for MD simulations, focusing explicitly on the diffusion behavior and adsorption mechanisms of reactants at the catalyst interface to elucidate their impact on yield. Analysis based on mean squared displacement (MSD) and radial distribution function (RDF) revealed that UiO-66-NH₂ exhibits mobility within the system and demonstrates dual adsorption towards both waste oil (represented by oleic acid) and ethanol. The catalytic advantage stems from the strong hydrogen-bonding interactions between the amino groups of UiO-66-NH₂ and ethanol molecules, which significantly enriches the local ethanol concentration at the interface, thereby promoting the reaction. However, the MD simulations critically identified the primary factor limiting yield enhancement: The inherently small pore size of UiO-66-NH₂ severely hinders the effective diffusion and mass transfer of large reactant molecules like oleic acid. This diffusion limitation induces significant steric hindrance near the interface, restricting sufficient contact between these molecules, the catalytically active sites, and the enriched ethanol. Consequently, by deciphering diffusion and adsorption behaviors, this study elucidates the concurrent molecular mechanisms in UiO-66-NH₂-catalyzed biodiesel synthesis: "interface reactant enrichment promotion" and "large-molecule diffusion limitation suppression." These findings provide crucial microscopic theoretical insights for understanding the experimental yield and guiding the future design and optimization of catalysts. Molecular dynamics (MD) simulations were performed using Materials Studio 2020. The COMPASS III force field was applied, and a representative model of the oil component was constructed based on molecular configurations identified through GC-MS analysis. The UIO-66-NH₂ model was derived by modifying the UIO-66 framework according to its synthetic rationale. A three-layer interfacial system was subsequently assembled to simulate the relevant environment. The simulation results yielded dynamical parameters, including the mean square displacement (MSD) and radial distribution function (RDF) of the constituent molecules. These results elucidate the promoting and limiting factors influencing biodiesel yield by UIO-66-NH₂ at the molecular level.