Accessibility Scores Research Articles

Factors associated with patients’ experience of accessibility to general practice: results from a national survey in Norway

BackgroundThis study aimed to explore the influence of patient-, general practitioners (GP)-, and GP practice-level predictor variables on patient-experienced accessibility to GPs and GP practices. Additionally, we aimed to enhance our understanding of patient-experienced accessibility by analysing the free-text comments from patients who reported lowest accessibility scores to GPs and GP practices.MethodsWe performed a secondary analysis of data from a 2021-2022 national Norwegian survey on patient experiences with their GP and GP practice. We identified seven accessibility-related items including experience and acceptance of regular waiting time and for urgent appointments, time spent with the GP, waiting time in the wating-room, and getting in touch with the GP practice by telephone. A composite accessibility score was computed. Predictor variables consisted of patient’s self-reported characteristics, as well as background data about the GP and GP practice from National GP registry. The analysis included multiple linear regression of the composite accessibility score and seven accessibility items. Finally, a qualitative analysis was conducted of free-text survey comments among patients that had a score of 0 (unfavourable) on all the seven accessibility items.ResultsThe key factor for patient-experienced accessibility to general practice was seeing their own GP, showing a statistically significant positive correlation (p<0.001) across all seven accessibility items and the composite accessibility score in regression analyses. Other associations with positive experience included better self-reported health, and at the GP-level, a specialization in general medicine. Conversely, a negative experience was associated with longer time since the last GP consultation, female patients, and a higher number of GPs at the practice. Qualitative data confirmed accessibility challenges, detailing quantitative scores and highlighted that low accessibility scores were related to difficulties in seeing one’s own GP.ConclusionsThis study highlights the importance of continuity between patient and their GP in improving patients’ experiences of accessibility to general practice. Several GP and GP practice-level factors were related to patient-reported accessibility. These results can be used to inform initiatives aimed at improving accessibility to general practice.

The Levels and Factors Associated with Access to Primary Care Services among Hypertensive Patients in Muang District, Phetchabun Province, Thailand: A Cross-Sectional Study

Objectives: The objectives of this study were to assess the levels of access to primary care services and to identify factors associated with access to primary care services among hypertensive patients in Muang district, Phetchabun province, Thailand. Methods: The cross-sectional study was conducted in the primary care unit of Phetchabun Hospital from 1 May 2023 to 31 July 2023. Purposive sampling was used to select hypertensive patients to be participants. Data were collected using the questionnaire. Access to primary care services was divided into 4 dimensions (availability, accessibility, accommodation, and acceptability). The mean accessibility score was calculated and interpreted into 3 levels (low-high). Sociodemographic data were analysed as factors associated with access to primary care services using multiple logistic regression. Results: A total of 120 participants were interviewed. Male-to-female ratio was 1:2.2. The mean age (±SD) was 61.9 (±6.2) years. Overall, access to primary care was high (3.74±0.62), with accommodation receiving the highest mean accessibility score (4.06±0.66) and accessibility the lowest (3.08±1.12). We found that age ≥ 60 years (P-value 0.039, 95% confidence interval (95% CI) 1.077 – 16.383), living family (P-value 0.018, 95% CI 0.019 – 0.692), living in urban area (P-value &lt;0.001, 95% CI 10.468 - 337.271), employed status (P-value 0.001, 95% CI 2.336 - 30.388) and income &gt;10,000 Baht per month (P-value 0.037, 95% CI 1.102 – 24.642) were associated with access to primary care. Conclusions: Overall, the level of primary care access was high. Age, living status, living area, employed status, and income were significantly associated factors. Expanding primary care services to local levels such as telemedicine might help improve the level of access. The effectiveness of expanding the service should be further study.

Machine learning assisted designing of Y-series small molecule acceptors: Library generation and property prediction

The designing of new small molecule acceptors (SMAs) for organic solar cells has been a prominent area of research for many decades. It is challenging to find unique materials due to expensive experimentation. Machine learning emerges as a promising tool for rapid and cost-effective prediction of properties. In the current study, electron affinity is predicted using machine learning models. Molecular descriptors are calculated for model training. Four machine learning models are used. A reasonably high predictive capability is obtained for random forest model (r-squared values of 0.92 and 0.82 for training and test set, respectively). Furthermore, the chemical database of small molecule acceptors is generated. Generated virtual space is anticipated by exploiting the t-distributed stochastic neighbor embedding (t-SNE) method. Structure Activity Landscape Index (SALI) analysis is conducted to examine how properties change with structural variations. A minimal change in electron affinity resulted from structural modifications. Additionally, clustering analysis is performed on selected small molecule acceptors for structural grouping of SMAs. Five SMAs with lowest synthetic accessibility (SA) score are selected for density functional theory (DFT) calculations. The introduced multiple dimensional framework has potential screened the materials in short-time and efficient way.

Structure-based Virtual Screening and Molecular Dynamic Simulation Approach for the Identification of Terpenoids as Potential DPP-4 Inhibitors.

Diabetes mellitus is a metabolic disorder where insulin secretion is compromised, leading to hyperglycemia. DPP-4 is a viable and safer target for type 2 diabetes mellitus. Computational tools have proven to be an asset in the process of drug discovery. In the present study, tools like structure-based virtual screening, MM/GBSA, and pharmacokinetic parameters were used to identify natural terpenoids as potential DPP-4 inhibitors for treating diabetes mellitus. Structure-based virtual screening, a cumulative mode of elimination technique, was adopted, identifying the top five potent hit compounds depending on the docking score and nonbonding interactions. According to the docking data, the most important contributors to complex stability are hydrogen bonding, hydrophobic interactions, and Pi-Pi stacking interactions. The dock scores ranged from -6.492 to -5.484 kcal/mol, indicating robust ligand-protein interactions. The pharmacokinetic characteristics of top-scoring hits (CNP0309455, CNP0196061, CNP0122006, CNP0 221869, CNP0297378) were also computed in this study, confirming their safe administration in the human body. Also, based on the synthetic accessibility score, all top-scored hits are easily synthesizable. Compound CNP0309455 was quite stable during molecular dynamic simulation studies. Virtual database screening yielded new leads for developing DPP-4 inhibitors. As a result, the findings of this study can be used to design and develop natural terpenoids as DPP-4 inhibitors for the medication of diabetes mellitus.

Accessibility Score – Data analytics for the holistic assessment of urban mobility networks and the case of Braunschweig

The accessibility and quality of urban mobility networks (UMN) depend on a multitude of static and dynamic conditions for each individual. Promoting sustainable mobility, such as walking, requires a very specific assessment of UMN’s qualities given the specific needs of pedestrians. The objective of this research is to provide a new approach for the comprehensive, mode-specific understanding of a UMN as a base for good planning and decision making. With the Accessibility Score (AccessS), we propose an integrated, indicator-based, holistic geospatial framework for the quantified assessment of qualitative UMN attributes identified in an extensive literature review.

Multi-Objective Optimization of Resilient, Sustainable, and Safe Urban Bus Routes for Tourism Promotion Using a Hybrid Reinforcement Learning Algorithm

Urban transportation systems in tourism-centric cities face challenges from rapid urbanization and population growth. Efficient, resilient, and sustainable bus route optimization is essential to ensure reliable service, minimize environmental impact, and maintain safety standards. This study presents a novel Hybrid Reinforcement Learning-Variable Neighborhood Strategy Adaptive Search (H-RL-VaNSAS) algorithm for multi-objective urban bus route optimization. Our mathematical model maximizes resilience, sustainability, tourist satisfaction, and accessibility while minimizing total travel distance. H-RL-VaNSAS is evaluated against leading optimization methods, including the Crested Porcupine Optimizer (CPO), Krill Herd Algorithm (KHA), and Salp Swarm Algorithm (SSA). Using metrics such as Hypervolume and the Average Ratio of Pareto Optimal Solutions, H-RL-VaNSAS demonstrates superior performance. Specifically, H-RL-VaNSAS achieved the highest resilience index (550), sustainability index (370), safety score (480), tourist preferences score (300), and accessibility score (2300), while minimizing total travel distance to 950 km. Compared to other methods, H-RL-VaNSAS improved resilience by 12.24–17.02%, sustainability by 5.71–12.12%, safety by 4.35–9.09%, tourist preferences by 7.14–13.21%, accessibility by 4.55–9.52%, and reduced travel distance by 9.52–17.39%. This research offers a framework for designing efficient, resilient, and sustainable public transit systems that align with urban planning and transportation goals. The integration of reinforcement learning with VaNSAS significantly enhances optimization capabilities, providing a valuable tool for mathematical and urban transportation research communities.

Synthesis of 2-aminothiazole sulfonamides as potent biological agents: Synthesis, structural investigations and docking studies

A simplified synthetic approach involving sulfonylation followed by amino group alkylation produced new 2-aminothiazole derivatives. UV/Vis, infrared, and NMR spectroscopies confirmed their structures. Compounds 36, 22, 34, and 35 showed strong inhibition against Jack bean and Bacillus Pasteurii urease, with IC50 values from 14.06 to 20.21 μM/mL. Compounds 20, 26, 21, 29, 30, 31, and 32 exhibited potent inhibitory effects against α-glucosidase and α-amylase, with IC50 values between 20.34 and 37.20 μM/mL. Compounds 33, 26, and 27 demonstrated potent DPPH scavenging, with IC50 values around 34.4–39.2 μM/mL. FMO analysis showed compounds 21, 22, 24, and 25 having parallel aromatic ring systems due to π cloud interactions, while compounds 32 and 38 had distinct electronic density distributions. Compound 22 had HOMO and LUMO energy gaps of 5.805 eV, with bromo and fluoro substitutions in compounds 21 and 24 slightly increasing the gaps to 6.089 eV and 6.078 eV, respectively. Nitro groups in compounds 25 and 32 reduced the gaps to 0.384 eV and 1.187 eV. All compounds demonstrated high gastrointestinal absorption, non-permeability to the blood-brain barrier, and optimal skin permeation (Log Kp between −5.83 and −6.54 cm/s). Compounds 22, 24, and 38 had promising QED scores of 0.719, 0.707, and 0.860, respectively, with synthetic accessibility scores from 2.057 to 2.517. ADMET predictions indicated minimal toxicity, cardiovascular safety, and significant inhibitory potential for CYP enzymes. Strong in silico binding affinities (binding energies −5.75 to −7.63 kcal/mol) and metabolic stability suggest these derivatives are promising candidates for further drug development.

An innovative approach to design readily synthesizable polymers for all-polymer solar cells

The communalization of all-polymer solar cells depends on the cost of active layer materials. We have introduced a framework to find the easily synthesizable polymers. Breaking Retrosynthetically Interesting Chemical Substructures (BRICS) method is used to generate a large database of polymers and synthetic accessibility of generated polymers is predicted. The generated database is visualized using various methods. Energy levels of polymers are also predicted using pretrained machine learning models. Polymers are screened on the basis of predicted properties. Library of polymers are displayed using the T-distributed Stochastic Neighbor Embedding (t-SNE) visualization. Structure Activity Landscape Index (SALI) visualization is also used. A significant change is observed in synthetic accessibility score on structural changes. The histagradient boosting regressor is used to predict the energy levels of polymers that energy levels play significant role in the selection of materials for organic photovoltaic cells. Synthetic accessibility of polymers is analyzed and a significant number of polymers are easy to synthesize. Thirty polymers are selected through screening process that are potential candidates for organic photovoltaic cells.

The effect of a pushing technique with normal saline on peripheral intravenous catheter placement success in paediatric haematology and oncology: A randomized controlled trial

PurposeThe aim of the present study is to determine the effect of the pushing technique with saline on the success of peripheral IV catheter placement in a paediatric haematology and oncology sample. MethodsThe randomized controlled trial was conducted among 60 paediatric haematology and oncology patients aged between 0 and 17. The participants were randomly assigned to two peripheral intravenous catheter placement groups (intervention group, n:30, control group, n:30). Each patient was evaluated with the Difficult Intravenous Access (DIVA) score before being included in the study. Each patient was assessed using the Personal Information Form for Children and Catheter Registration Form. ResultsThe average age of the children was 86.4 months (SD = 60.0); 36.7% were female. The pushing technique with saline significantly increased the success of placing a peripheral IV catheter on the first attempt in the intervention group compared to the control group (F = 42.391, p = 0.000). The number of attempts during peripheral IV catheter placement significantly decreased in the intervention group compared with the control group (t = −5.676, p = 0.000). Complications were less in the intervention group compared with the control group (χ2 = 24.438, p = 0.000). The procedure time was significantly shorter in the intervention group compared with the control group (t = −4.026, p = 0.000). ConclusionThe pushing technique with saline is an effective method to increase the first attempt success rate, decrease the number of attempts, reduce the procedure time, and reduce the complications during peripheral intravenous catheter placement procedures in paediatric haematology and oncology patients with difficult intravenous access. Trial RegistrationThis study was registered at ClinicalTrials.gov (NCT05685290 & date of first recruitment: January 3, 2023) https://clinicaltrials.gov/ct2/show/NCT05685290.

Impact of behavioural intention to adopt climate-smart agricultural practices on the food and nutrition security of farming households: A microeconomic level evidence

The study examined the behavioural intention to adopt climate-smart agricultural practices (CSA) and its impact on the food-nutrition security (FNS) of farming households in South Africa. We employed a multistage sampling procedure to select rural maize farmers across the selected villages. To determine the impacts of behavioural adoption of CSA on the FNS of farming households, endogenous switching regression model (ESRM) was employed, while household dietary diversity score (HDDS) and household food insecurity access score (HFIAS) were used to determine the FNS status of the households. The findings emphasized the significance of the behavioural intentions of rural maize farmers, assessed through their attitudinal dimensions (measured in terms of perceived social norms, behavioural intentions, and control) in influencing the adoption decision of CSA practices, hence CSA adoption positively impacts FNS in South Africa. The result indicates that households that adopt CSA observe a 27% and 23% increase in HDDS and a decrease in HFIAS compared to those who do not adopt CSA practices, respectively. Thus, the outcome illustrates that the adoption of CSA practices substantially enhances the HDDS and HFIAS of rural maize farming households in South Africa. Following this backdrop, a concerted effort to raise knowledge of CSA practices through disseminating pertinent information will exert influence on the farmers' adoption behaviour towards CSA practices, which is capable of improving the FNS of rural maize farmers.

ACADEMIC WRITING 2.0: STUDENTS’ PERCEPTIONS ON ACADEMIC WRITING WITH BLENDED LEARNING MODE

This research explores students' perceptions of implementing a Blended Learning model in an academic writing course to address challenges in foreign language academic writing. 40 respondents participated, and mixed-methods, including WEBLEI Survey and Case Study 2.0 frameworks, were employed. Data collection involved tests, surveys, asynchronous interviews, and Focus Group Discussions. Statistical analysis indicated positive student attitudes, with mean scores for Interaction, Access, Response, and Result on the WEBLEI Scale being 3.85, 4.12, 4.07, and 4.10, respectively. Results suggest that students benefitted from flexibility in learning processes, access to learning, satisfaction with the learning environment, and pace of learning in the Blended Learning model.

The Non-Accessible Ureter: Can History, Gender, Age, BMI, Radiology and Stone Size Predict the Requirement of Pre-Stenting in Narrow Ureters

Abstract: Background: The difficulty in access to the ureter during stone removal surgery enhances the chances of redo-surgery, DJ stenting, and associated complications, this failure leads to mistrust in the doctor-patient relationship. Objective: This study aims to provide a comprehensive evaluation of the incidence &amp; management of narrow ureters after failure to negotiate retrograde access of rigid or flexible Ureteroscope (6/7.5 Fr ). Materials and Methods: This is a Prospective, cross-sectional study, conducted at the urology department of Tabba Kidney Institute, from June 2022 to June 2023. The minimum required sample size was 250. Patients aged between &gt; 18 to &lt;60 diagnosed with Unilateral and bilateral ureteric stones and hydronephrosis without ureteric stone obstruction were included in the study. SPSS 22 was used to analyze the data, the chi-square test was applied, with p-value &lt;0.05 as significant. Result: The overall mean age of the study population was estimated as 40.71 ± 12 years, while gender distribution indicated 138 (55.2%) male and 112 (44.8%) female patients. Group distribution identified 172 (68.8%) patients with negotiable ureter (Group A), while 78 (31.2%) with non-negotiable ureter (Group B). Conclusion: We conclude that in our population there is a higher incidence of narrow ureters, as compared to other studies which are not accessible even using the same dilatation technique, so it is safe to counsel the patients pre-operatively about the possibility of the narrow ureter and need for pre-stenting. Tabba Ureter Accessibility (TUA) score can be used as a tool to predict the possibility of a narrow ureter. Keywords: Narrow ureter, Ureteric stone, DJ stent, Ureterorenoscope, Dehydration, Hematuria.

Network Models of BACE-1 Inhibitors: Exploring Structural and Biochemical Relationships.

This study investigates the clustering patterns of human β-secretase 1 (BACE-1) inhibitors using complex network methodologies based on various distance functions, including Euclidean, Tanimoto, Hamming, and Levenshtein distances. Molecular descriptor vectors such as molecular mass, Merck Molecular Force Field (MMFF) energy, Crippen partition coefficient (ClogP), Crippen molar refractivity (MR), eccentricity, Kappa indices, Synthetic Accessibility Score, Topological Polar Surface Area (TPSA), and 2D/3D autocorrelation entropies are employed to capture the diverse properties of these inhibitors. The Euclidean distance network demonstrates the most reliable clustering results, with strong agreement metrics and minimal information loss, indicating its robustness in capturing essential structural and physicochemical properties. Tanimoto and Hamming distance networks yield valuable clustering outcomes, albeit with moderate performance, while the Levenshtein distance network shows significant discrepancies. The analysis of eigenvector centrality across different networks identifies key inhibitors acting as hubs, which are likely critical in biochemical pathways. Community detection results highlight distinct clustering patterns, with well-defined communities providing insights into the functional and structural groupings of BACE-1 inhibitors. The study also conducts non-parametric tests, revealing significant differences in molecular descriptors, validating the clustering methodology. Despite its limitations, including reliance on specific descriptors and computational complexity, this study offers a comprehensive framework for understanding molecular interactions and guiding therapeutic interventions. Future research could integrate additional descriptors, advanced machine learning techniques, and dynamic network analysis to enhance clustering accuracy and applicability.

Spatial accessibility and inequality analysis of rabies-exposed patients to rabies post-exposure prophylaxis clinics in Guangzhou City, China

BackgroundThe incidence of rabies exposure is high and increasing in China, leading to an urgent demand of rabies post-exposure prophylaxis (PEP) clinics for the injured. However, the spatial accessibility and inequality of rabies-exposed patients to rabies PEP clinics is less known in China.MethodsBased on rabies exposure data, PEP clinic data, and resident travel origin-destination (OD) matrix data in Guangzhou City, China, we first described the incidence of rabies exposure in Guangzhou from 2020 to 2022. Then, the Gaussian two-step floating catchment area method (2SFCA) was used to analyze the spatial accessibility of rabies-exposed patients to rabies PEP clinics in Guangzhou, and the Gini coefficient and Moran’s I statistics were utilized to evaluate the inequality and clustering of accessibility scores.ResultsFrom 2020 to 2022, a total of 524,160 cases of rabies exposure were reported in Guangzhou, and the incidence showed a significant increasing trend, with an average annual incidence of 932.0/100,000. Spatial accessibility analysis revealed that the overall spatial accessibility scores for three scenarios (threshold of driving duration [d0] = 30 min, 45 min, and 60 min) were 0.30 (95% CI: 0.07, 0.87), 0.28 (95% CI: 0.11, 0.53) and 0.28 (95% CI: 0.14, 0.44), respectively. Conghua, Huangpu, Zengcheng and Nansha districts had the higher accessibility scores, while Haizhu, Liwan, and Yuexiu districts exhibited lower spatial accessibility scores. The Gini coefficient and Moran’s I statistics showed that there were certain inequality and clustering in the accessibility to rabies PEP clinics in Guangzhou.ConclusionsThis study clarifies the heterogeneity of spatial accessibility to rabies PEP clinics, and provide valuable insights for resource allocation to achieve the WHO target of zero human dog-mediated rabies deaths by 2030.

Geographic Accessibility to Pelvic Health Physiotherapy Services Across Ontario: A Geographic Information System Analysis

Purpose: The purpose of this study was to explore the distribution and geographic accessibility of pelvic health physiotherapist services for females in Ontario across an urban–rural gradient. Method: A geographic information system-based observational study was conducted. Physiotherapists’ practice locations (supply) were obtained from the College of Physiotherapists of Ontario registrant pelvic health roster. Dissemination area centroids (demand) were calculated based on 2021 Statistics Canada census data for females in Ontario. Locations were geocoded and mapped, and an accessibility score was computed using an enhanced two-step floating catchment area method. A choropleth map was generated with accessibility scores, and results were stratified using an urban–rural gradient. Results: Geographic locations of 1172 pelvic health physiotherapists across Ontario were retrieved. The provincial average accessibility score was 1.84 pelvic health physiotherapists (PHPTs) per 10,000 females (range, min-max, 0–26.27 PHPTs). Access to a PHPT is more limited in rural areas and municipalities with weak to no metropolitan influence and higher in census metropolitan areas and larger urban centres. Conclusions: Regional disparities in accessibility to PHPT services for females in Ontario exist and should be considered in planning and policy development, particularly to enhance accessibility to females living in rural areas.

The association between alcohol retail access and health care visits attributable to alcohol for individuals with and without a history of alcohol-related health-care use.

Alcohol retail access is associated with alcohol use and related harms. This study measured whether this association differs for people with and without heavy and disordered patterns of alcohol use. The study used a repeated cross-sectional analysis of health administrative databases. All residents of Ontario, Canada aged 10-105 years with universal health coverage (n = 10 677 604 in 2013) were included in the analysis. Quarterly rates of emergency department (ED) and outpatient visits attributable to alcohol in 464 geographic regions between 2013 and 2019 were measured. Quarterly off-premises alcohol retail access scores were calculated (average drive to the closest seven stores) for each geographic region. Mixed-effect linear regression models adjusted for area-level socio-demographic covariates were used to examine associations between deciles of alcohol retail access and health-care visits attributable to alcohol. Stratified analyses were run for individuals with and without prior alcohol-attributable health-care use in the past 2years. We included 437 707 ED visits and 505 271 outpatient visits attributable to alcohol. After adjustment, rates of ED visits were 39% higher [rate ratio (RR) = 1.39, 95% confidence interval (CI) = 1.20-1.61] and rates of outpatient visits were 49% higher (RR = 1.49, 95% CI = 1.26-1.75) in the highest versus lowest decile of alcohol access. There was a positive association between alcohol access and outpatient visits attributable to alcohol for individuals without prior health-care attributable to alcohol (RR = 1.65, 95% CI = 1.39-1.95 for the highest to lowest decile of alcohol access) but not for individuals with prior health-care attributable to alcohol (RR = 1.08, 95% CI = 0.90-1.30). There was a positive association between alcohol access and ED visits attributable to alcohol for individuals with and without prior health-care for alcohol for ED visits. In Ontario, Canada, greater alcohol retail access appears to be associated with higher rates of emergency department (ED)and outpatient health-care visits attributable to alcohol. Individuals without prior health-care for alcohol may be more susceptible to greater alcohol retail access for outpatient but not ED visits attributable to alcohol.

Evaluating the spatial accessibility and spatial layout optimization of HIV/AIDS healthcare services in Shandong Province, China

Improving access to HIV/AIDS healthcare services is of great concern to government and policymakers striving to strengthen overall public health. How to reasonably allocate HIV/AIDS healthcare resources and maximize the equality of access to healthcare services across subdistrict areas has become an urgent problem to be solved. However, there is limited research on this topic in China. It is necessary to evaluate spatial accessibility to improve the accessibility and equity of HIV/AIDS healthcare services. In this study, the improved multi-modal two-step floating catchment area (2SFCA) and inverted 2SFCA (i2SFCA) methods are used to measure the spatial accessibility of HIV/AIDS healthcare services and the crowdedness of the healthcare sites in Shandong Province, China. Then, the theoretical supply and the optimal spatial distribution of resources are calculated and visualized by minimizing the accessibility gaps between demand locations. This study showed that the spatial accessibility of HIV/AIDS service resources in Shandong Province was concentrated and unevenly distributed, and the accessibility scores in the marginal areas of prefecture-level cities were significantly lower than those in other areas. Regions with a large number of doctors had significantly higher levels of spatial accessibility. The ART accessibility scores in the southwest of Shandong Province were higher than those in other regions. As the travel friction coefficient increased, the accessibility scores formed an approximately circular cluster distribution centered on the healthcare sites in geographical distribution. More ART drugs needed to be supplied in marginal areas and more doctors were needed to work on HIV/AIDS in urban areas to address the spatial distribution imbalance of HIV/AIDS healthcare services. This study profoundly analyzed the spatial accessibility of HIV/AIDS healthcare services and provided essential references for decision-makers. In addition, it gives a significant exploration for achieving the goal of equal access to HIV/AIDS healthcare services in the future.

A study of the effects of screen exposure on the neuropsychological development in children with autism spectrum disorders based on ScreenQ

PurposeTo investigate the relationship between multi-dimensional aspects of screen exposure and autistic symptoms, as well as neuropsychological development in children with ASD.MethodsWe compared the ScreenQ and Griffiths Development Scales-Chinese Language Edition (GDS-C) of 636 ASD children (40.79 ± 11.45 months) and 43 typically developing (TD) children (42.44 ± 9.61 months). Then, we analyzed the correlations between ScreenQ and Childhood Autism Rating Scale (CARS), and GDS-C. We further used linear regression model to analyze the risk factors associated with high CARS total scores and low development quotients (DQs) in children with ASD.ResultsThe CARS of children with ASD was positively correlated with the ScreenQ total scores and “access, frequency, co-viewing” items of ScreenQ. The personal social skills DQ was negatively correlated with the “access, frequency, content, co-viewing and total scores” of ScreenQ. The hearing-speech DQ was negatively correlated with the “frequency, content, co-viewing and total scores” of ScreenQ. The eye-hand coordination DQ was negatively correlated with the “frequency and total scores” of ScreenQ. The performance DQ was negatively correlated with the “frequency” item of ScreenQ.ConclusionScreenQ can be used in the study of screen exposure in children with ASD. The higher the ScreenQ scores, the more severe the autistic symptoms tend to be, and the more delayed the development of children with ASD in the domains of personal-social, hearing-speech and eye-hand coordination. In addition, “frequency” has the greatest impact on the domains of personal social skills, hearing-speech, eye-hand coordination and performance of children with ASD.

Multifunctional in vitro, in silico and DFT analyses on antimicrobial BagremycinA biosynthesized by Micromonospora chokoriensis CR3 from Hieracium canadense

Among the actinomycetes in the rare genera, Micromonospora is of great interest since it has been shown to produce novel therapeutic compounds. Particular emphasis is now on its isolation from plants since its population from soil has been extensively explored. The strain CR3 was isolated as an endophyte from the roots of Hieracium canadense, and it was identified as Micromonospora chokoriensis through 16S gene sequencing and phylogenetic analysis. The in-vitro analysis of its extract revealed it to be active against the clinical isolates of methicillin-resistant Staphylococcus aureus (MRSA) and Candida tropicalis (15 mm). No bioactivity was observed against Gram-negative bacteria, Escherichia coli ATCC 25922, and Klebsiella pneumoniae ATCC 706003. The Micromonospora chokoriensis CR3 extract was also analyzed through the HPLC-DAD-UV–VIS resident database, and it gave a maximum match factor of 997.334 with the specialized metabolite BagremycinA (BagA). The in-silico analysis indicated that BagA strongly interacted with the active site residues of the sterol 14-α demethylase and thymidylate kinase enzymes, with the lowest binding energies of − 9.7 and − 8.3 kcal/mol, respectively. Furthermore, the normal mode analysis indicated that the interaction between these proteins and BagA was stable. The DFT quantum chemical properties depicted BagA to be reasonably reactive with a HOMO-LUMO gap of (ΔE) of 4.390 eV. BagA also passed the drug-likeness test with a synthetic accessibility score of 2.06, whereas Protox-II classified it as a class V toxicity compound with high LD50 of 2644 mg/kg. The current study reports an endophytic actinomycete, M. chokoriensis, associated with H. canadense producing the bioactive metabolite BagA with promising antimicrobial activity, which can be further modified and developed into a safe antimicrobial drug.

Machine Learning for Polymer Design to Enhance Pervaporation-Based Organic Recovery.

Pervaporation (PV) is an effective membrane separation process for organic dehydration, recovery, and upgrading. However, it is crucial to improve membrane materials beyond the current permeability-selectivity trade-off. In this research, we introduce machine learning (ML) models to identify high-potential polymers, greatly improving the efficiency and reducing cost compared to conventional trial-and-error approach. We utilized the largest PV data set to date and incorporated polymer fingerprints and features, including membrane structure, operating conditions, and solute properties. Dimensionality reduction, missing data treatment, seed randomness, and data leakage management were employed to ensure model robustness. The optimized LightGBM models achieved RMSE of 0.447 and 0.360 for separation factor and total flux, respectively (logarithmic scale). Screening approximately 1 million hypothetical polymers with ML models resulted in identifying polymers with a predicted permeation separation index >30 and synthetic accessibility score <3.7 for acetic acid extraction. This study demonstrates the promise of ML to accelerate tailored membrane designs.