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13 pages, 489 KiB  
Article
Types of Injuries and the Severity of Shoulder Dysfunction Associated with Diabetes Mellitus in Patients with Functional Impairment: A Case–Control Study
by Mercedes Fuentes-Murguia, Karla B. Carrazco-Peña, Osiris G. Delgado-Enciso, Joel Castellanos-Gomez, Gustavo A. Hernandez-Fuentes, Fabian Rojas-Larios, Carmen A. Sanchez-Ramirez, Margarita L. Martinez-Fierro, Iram P. Rodriguez-Sanchez, José Guzmán-Esquivel, Idalia Garza-Veloz, José E. Del-Río-Valdivia, Jorge E. Plata-Florenzano and Iván Delgado-Enciso
Biomedicines 2024, 12(11), 2634; https://doi.org/10.3390/biomedicines12112634 - 18 Nov 2024
Abstract
Background/Objectives: Patients with diabetes have been reported to experience a higher prevalence of shoulder disorders compared to those without diabetes or with other medical conditions. However, the specific types of shoulder injuries and the extent of functional impairment associated with diabetes mellitus remain [...] Read more.
Background/Objectives: Patients with diabetes have been reported to experience a higher prevalence of shoulder disorders compared to those without diabetes or with other medical conditions. However, the specific types of shoulder injuries and the extent of functional impairment associated with diabetes mellitus remain unclear. This study aimed to assess the association between diabetes and specific shoulder injuries, as well as the degree of functional impairment in affected patients. Methods: A case–control study was conducted involving 136 patients with shoulder functional impairment (UCLA Shoulder Scale ≤ 27). The study included 38 patients with diabetes and 98 non-diabetic controls. Shoulder injuries were diagnosed using ultrasonography, focusing on the supraspinatus tendon, long head of the biceps tendon, subscapularis tendon, and the presence of adhesive capsulitis or rotator cuff tears. Results: Diabetic patients had significantly higher rates of poor shoulder function compared to non-diabetic controls (89.47% vs. 63.26%, adjusted OR [adOR] 5.22, 95% CI 1.57–17.32, p = 0.007). While both groups had high rates of supraspinatus and long head of the biceps tendon injuries (~80%), no significant differences were found between them (p > 0.300). However, diabetic patients were more than three times as likely to have subscapularis tendon injuries (adOR 3.15, 95% CI 1.26–7.90, p = 0.014) and massive rotator cuff tears (adOR 3.76, 95% CI 1.16–12.15, p = 0.027). Additionally, diabetes was associated with a fourfold increased risk of adhesive capsulitis (adOR 4.16, 95% CI 1.20–14.47, p = 0.025). Conclusions: Diabetes mellitus is linked to greater functional and structural deterioration of the shoulder, highlighting the importance of considering diabetes as a risk factor for specific shoulder injuries. Early diagnosis and treatment may improve outcomes for diabetic patients with shoulder disorders. Full article
(This article belongs to the Special Issue Molecular Research on Osteoarthritis and Osteoporosis)
18 pages, 1532 KiB  
Article
A Multi-Parameter Optimization Method for Electromagnetic Characteristics Fitting Based on Deep Learning
by Jiaxing Hao, Sen Yang and Hongmin Gao
Appl. Sci. 2024, 14(22), 10652; https://doi.org/10.3390/app142210652 - 18 Nov 2024
Abstract
Electromagnetic technology is widely applied in numerous fields, and precise electromagnetic characteristic fitting technology has become a crucial part for enhancing system performance and optimizing design. However, it faces challenges such as high computational complexity and the difficulty in balancing the accuracy and [...] Read more.
Electromagnetic technology is widely applied in numerous fields, and precise electromagnetic characteristic fitting technology has become a crucial part for enhancing system performance and optimizing design. However, it faces challenges such as high computational complexity and the difficulty in balancing the accuracy and generalization ability of the model. For example, the Radar Cross Section (RCS) distribution characteristics of a single corner reflector model or Luneberg lens provide a relatively stable RCS value within a certain airspace range, which to some extent reduces the difficulty of radar target detection and fails to truly evaluate the radar performance. This paper aims to propose an innovative multi-parameter optimization method for electromagnetic characteristic fitting based on deep learning. By selecting common targets such as reflectors and Luneberg lens reflectors as optimization variables, a deep neural network model is constructed and trained with a large amount of electromagnetic data to achieve high-precision fitting of the target electromagnetic characteristics. Meanwhile, an advanced genetic optimization algorithm is introduced to optimize the multiple parameters of the model to meet the error index requirements of radar target detection. In this paper, by combining specific optimization variables such as corner reflectors and Luneberg lenses with the deep learning model and genetic algorithm, the deficiencies of traditional methods in handling electromagnetic characteristic fitting are effectively addressed. The experimental results show that the 60° corner reflector successfully realizes the simulation of multiple peak characteristics of the target, and the Luneberg lens reflector achieves the simulation of a relatively small RCS average value with certain fluctuations in a large space range, which strongly proves that this method has significant advantages in improving the fitting accuracy and optimization efficiency, opening up new avenues for research and application in the electromagnetic field. Full article
16 pages, 619 KiB  
Article
Children’s and Adolescents’ Use of Nature During the COVID-19 Pandemic in a Very Green Country
by Vegard Gundersen, Zander Venter, Line Camilla Wold, Berit Junker-Köhler and Sofie Kjendlie Selvaag
Int. J. Environ. Res. Public Health 2024, 21(11), 1530; https://doi.org/10.3390/ijerph21111530 - 18 Nov 2024
Abstract
Play, physical activity, and social interaction with other children in nature are important for healthy and social development in childhood and adolescence. The extent to which lockdown policies during the COVID-19 pandemic impacted the way children engaged in outdoor activities remains unclear, especially [...] Read more.
Play, physical activity, and social interaction with other children in nature are important for healthy and social development in childhood and adolescence. The extent to which lockdown policies during the COVID-19 pandemic impacted the way children engaged in outdoor activities remains unclear, especially in a country with free access to abundant nature during the pandemic. We performed a national survey of parents (n = 1002) in Norway in January 2021 to uncover changes in outdoor play for children (6–12 years, n = 396) and adolescents (13–19 years, n = 606) compared with the situation before the lockdown on 12 March 2020. Ten months after the start of the COVID-19 lockdown, 38% of the parents reported that their children played and spent time outside ‘less than usual’ in their neighborhood, compared with 15% who reported ‘more than usual’ time spent outside. Parents indicated that the children’s play activities were highly organized and institutionalized, and when the activities ceased, their children had less motivation to spend time outdoors and tended to engage more in screen-based activities indoors. We conclude that while children and adolescents had many opportunities to be outdoors in natural settings during the COVID-19 pandemic restrictions, they did so much less than before the lockdown. Full article
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25 pages, 5749 KiB  
Article
A Statistical Assessment of Drilling Effects on Glass Fiber-Reinforced Polymeric Composites
by Ana Martins, Alda Carvalho, Ivo M. F. Bragança, Inês C. J. Barbosa, Joaquim Infante Barbosa and Maria A. R. Loja
Materials 2024, 17(22), 5631; https://doi.org/10.3390/ma17225631 (registering DOI) - 18 Nov 2024
Abstract
Fiber-reinforced composites are extensively used in many components and structures in various industry sectors, and the need to connect and assemble such types of components may require drilling operations. Although drilling is a common machining process; when dealing with fiber-reinforced composite materials, additional [...] Read more.
Fiber-reinforced composites are extensively used in many components and structures in various industry sectors, and the need to connect and assemble such types of components may require drilling operations. Although drilling is a common machining process; when dealing with fiber-reinforced composite materials, additional and specific problems may arise that can com-promise mechanical integrity. So, the main goal of this work is to assess how various input variables impact two main outcomes in the drilling process: the exit-adjusted delamination factor and the maximum temperature on the bottom surface where the drilling tool exits. The input variables include the type of drilling tools used, the operating speeds, and the thickness of the plates being drilled. By using Analysis of Variance (ANOVA), the analysis aims to identify which factors significantly influence damage and exit temperature. The results demonstrate that the influence of tools and drilling parameters is critical, and those selections impact the quality of the hole and the extent of the induced damage to the surrounding area. In concrete, considering the initially selected set of tools, the BZT03 tool does not lead to high-quality holes when drilling medium- and high-thickness plates. In contrast, the Dagger tool shows potential to reduce exit hole damage while also lowering temperature. Full article
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22 pages, 1421 KiB  
Systematic Review
Towards a Risk-Based Follow-Up Surveillance Imaging Schedule for Children and Adolescents with Low-Grade Glioma
by Kleoniki Roka, Karina J. Kersbergen, Antoinette Y. N. Schouten-van Meeteren, Shivaram Avula, Astrid Sehested, Maria Otth and Katrin Scheinemann
Curr. Oncol. 2024, 31(11), 7330-7351; https://doi.org/10.3390/curroncol31110541 (registering DOI) - 18 Nov 2024
Abstract
The frequency and duration of imaging surveillance in children and adolescents with pediatric low-grade gliomas (pLGGs) aims for the early detection of recurrence or progression. Although surveillance of pLGGs is performed routinely, it is not yet standardized. The aim of the current review [...] Read more.
The frequency and duration of imaging surveillance in children and adolescents with pediatric low-grade gliomas (pLGGs) aims for the early detection of recurrence or progression. Although surveillance of pLGGs is performed routinely, it is not yet standardized. The aim of the current review is to provide a comprehensive synthesis of published studies regarding the optimal frequency, intervals, and duration of surveillance. Several key influencing factors were identified (age, the extent of resection, the tumor location, the histological type, and specific molecular characteristics). However, the lack of consistent definitions of recurrence/progression and the extent of resection meant that it was not possible to perform a meta-analysis of the data from the 18 included articles. This review highlights the need for updating the definition of these terms for uniform and global use both in routine clinical practice as well as in upcoming trials. Thus, future studies on the heterogenous group of pLGGs will allow for the better tailoring of both the frequency and duration of imaging surveillance protocols in relevant settings. Full article
(This article belongs to the Section Childhood, Adolescent and Young Adult Oncology)
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25 pages, 14501 KiB  
Article
Root-Zone Salinity in Irrigated Arid Farmland: Revealing Driving Mechanisms of Dynamic Changes in China’s Manas River Basin over 20 Years
by Guang Yang, Xuejin Qiao, Qiang Zuo, Jianchu Shi, Xun Wu and Alon Ben-Gal
Remote Sens. 2024, 16(22), 4294; https://doi.org/10.3390/rs16224294 (registering DOI) - 18 Nov 2024
Viewed by 60
Abstract
The risk of soil salinization is prevalent in arid and semi-arid regions, posing a critical challenge to sustainable agriculture. This study addresses the need for accurate assessment of regional root-zone soil salt content (SSC) and understanding of underlying driving mechanisms, which [...] Read more.
The risk of soil salinization is prevalent in arid and semi-arid regions, posing a critical challenge to sustainable agriculture. This study addresses the need for accurate assessment of regional root-zone soil salt content (SSC) and understanding of underlying driving mechanisms, which are essential for developing effective salinization mitigation and water management strategies. A remote sensing inversion technique, initially proposed to estimate root-zone SSC in cotton fields, was adapted and validated more widely to non-cotton farmlands. Validation results (with a coefficient of determination R2 > 0.53) were obtained using data from a three-year (2020–2022) regional survey conducted in the arid Manas River Basin (MRB), Xinjiang, China. Based on this adapted technique, we analyzed the spatiotemporal distributions of root-zone SSC across all farmlands in MRB from 2001 to 2022. Findings showed that root-zone SSC decreased significantly from 5.47 to 3.77 g kg−1 over the past 20 years but experienced a slight increase of 0.15 g kg1 in recent five years (2017–2022), attributed to cultivated area expansion and reduced irrigation quotas due to local water shortages. The driving mechanisms behind root-zone SSC distributions were analyzed using an approach combined with two machine learning algorithms, eXtreme Gradient Boosting (XGBoost) and SHapley Additive exPlanation (SHAP), to identify influential factors and quantify their impacts. The approach demonstrated high predictive accuracy (R2 = 0.96 ± 0.01, root mean squared error RMSE = 0.19 ± 0.03 g kg1, maximum absolute error MAE = 0.14 ± 0.02 g kg1) in evaluating SSC drivers. Factors such as initial SSC, crop type distribution, duration of film mulched drip irrigation implementation, normalized difference vegetation index (NDVI), irrigation amount, and actual evapotranspiration (ETa), with mean (SHAP value) ≥ 0.02 g kg−1, were found to be more closely correlated with root-zone SSC variations than other factors. Decreased irrigation amount appeared as the primary driver for recent increased root-zone SSC, especially in the mid- and down-stream sections of MRB. Recommendations for secondary soil salinization risk reduction include regulation of the planting structure (crop choice and extent of planting area) and maintenance of a sufficient irrigation amount. Full article
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17 pages, 8402 KiB  
Article
Two Novel Membranes Based on Collagen and Polyphenols for Enhanced Wound Healing
by Victoria S. Shubina, Margarita I. Kobyakova, Nikita V. Penkov, Gennady V. Mitenko, Sergey N. Udaltsov and Yuri V. Shatalin
Int. J. Mol. Sci. 2024, 25(22), 12353; https://doi.org/10.3390/ijms252212353 - 18 Nov 2024
Viewed by 143
Abstract
Two novel membranes based on collagen and two polyphenols, taxifolin pentaglutarate (TfG5) and a conjugate of taxifolin with glyoxylic acid (DfTf), were prepared. Fourier transform infrared spectroscopy examination confirmed the preservation of the triple helical structure of collagen. A scanning electron microscopy study [...] Read more.
Two novel membranes based on collagen and two polyphenols, taxifolin pentaglutarate (TfG5) and a conjugate of taxifolin with glyoxylic acid (DfTf), were prepared. Fourier transform infrared spectroscopy examination confirmed the preservation of the triple helical structure of collagen. A scanning electron microscopy study showed that both materials had a porous structure. The incorporation of DfTf into the freeze-dried collagen matrix increased the aggregation of collagen fibers to a higher extent than the incorporation of TfG5, resulting in a more compact structure of the material containing DfTf. It was found that NIH/3T3 mouse fibroblasts were attached to, and relatively evenly spread out on, the surface of both newly obtained membranes. In addition, it was shown that the membranes enhanced skin wound healing in rats with a chemical burn induced by acetic acid. The treatment with the materials led to a faster reepithelization and granulation tissue formation compared with the use of other agents (collagen without polyphenols and buffer saline). It was also found that, in the wound tissue, the level of thiobarbituric acid reactive substances (TBARS) was significantly higher and the level of low-molecular-weight SH-containing compounds (RSH) was significantly lower than those in healthy skin, indicating a rise in oxidative stress at the site of injury. The treatment with collagen membranes containing polyphenols significantly decreased the TBARS level and increased the RSH level, suggesting the antioxidant/anti-inflammatory effect of the materials. The membrane containing TfG5 was more effective than other ones (the collagen membrane containing DfTf and collagen without polyphenols). On the whole, the data obtained indicate that collagen materials containing DfTf and TfG5 have potential as powerful therapeutic agents for the treatment of burn wounds. Full article
(This article belongs to the Special Issue Bioactive Polymer-Based Materials Dedicated to Wound Healing)
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11 pages, 425 KiB  
Article
Teacher Violence and Student Wellbeing in Rural Sierra Leone: Longitudinal Dynamics Across Primary Schooling
by Giulio D’Urso, Jennifer Symonds, Seaneen Sloan, Daniel Capistrano, Elena Samonova, Dympna Devine and Ciaran Sugrue
Behav. Sci. 2024, 14(11), 1106; https://doi.org/10.3390/bs14111106 - 18 Nov 2024
Viewed by 173
Abstract
This study explored the longitudinal dynamics of teacher violence and student wellbeing in rural Sierra Leone, West Africa. The participants, totaling 3170 children with an age range of 5 years to 11 years, were cluster-sampled from a large geographic area to ensure gender [...] Read more.
This study explored the longitudinal dynamics of teacher violence and student wellbeing in rural Sierra Leone, West Africa. The participants, totaling 3170 children with an age range of 5 years to 11 years, were cluster-sampled from a large geographic area to ensure gender balance and representation from diverse linguistic backgrounds and religious affiliations. They were drawn from the Safe Learning Study, which spanned over 5 years and involved 100 schools in rural Sierra Leone. Data collection took place in four waves from November 2018 to May 2021. Participants completed self-report questionnaires pertaining to psychological wellbeing and experiences of violence from teachers. The study employed a random intercept cross-lagged panel model (RICLPM) to examine the relationship between violence and mental health across waves. Across children, a relationship between teacher violence and student wellbeing was observed over time. However, for individual children, higher wellbeing predicted lower instances of violence, and vice versa, although to a weak extent. These findings highlight the complex interplay between violence and wellbeing within the cultural sample. These insights contribute to a deeper understanding of the social dynamics surrounding violence and wellbeing, informing targeted interventions and policy initiatives aimed at creating safer and healthier environments for at-risk populations. Full article
(This article belongs to the Special Issue Psychological Research on Sexual and Social Relationships)
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15 pages, 8272 KiB  
Review
Computed Tomography and Magnetic Resonance Enterography: From Protocols to Diagnosis
by Cesare Maino, Ilaria Mariani, Silvia Girolama Drago, Paolo Niccolò Franco, Teresa Paola Giandola, Francescamaria Donati, Piero Boraschi and Davide Ippolito
Diagnostics 2024, 14(22), 2584; https://doi.org/10.3390/diagnostics14222584 - 18 Nov 2024
Viewed by 200
Abstract
Both Magnetic Resonance Enterography (MRE) and Computed Tomography Enterography (CTE) are crucial imaging modalities in the diagnosis and treatment of inflammatory bowel disease (IBD). CTE is often used in acute scenarios, such as when complications (such as abscesses, perforations, or bowel obstructions) are [...] Read more.
Both Magnetic Resonance Enterography (MRE) and Computed Tomography Enterography (CTE) are crucial imaging modalities in the diagnosis and treatment of inflammatory bowel disease (IBD). CTE is often used in acute scenarios, such as when complications (such as abscesses, perforations, or bowel obstructions) are suspected. It can also help determine the degree and extent of pathological processes. Although CTE is rapid, generally accessible, and offers precise images that are useful in emergencies, it does expose patients to ionizing radiation. Nevertheless, MRE is very useful in assessing perianal illness and the small intestine, and it is frequently used in patients who need repeated follow-ups or are pregnant to minimize radiation exposure. Moreover, MRE can demonstrate oedema, fistulas, abscesses, and the thickening of the bowel wall. In addition, MRE offers superior soft tissue contrast resolution without ionizing radiation, which helps identify complications such as fistulas and abscesses. With their respective advantages and disadvantages, both approaches play essential roles in assessing IBD. The primary goal of this review is to provide an overview of the technical specifications, benefits, drawbacks, and imaging findings of CTE and MRE. Full article
(This article belongs to the Special Issue Imaging Diagnosis in Abdomen, 2nd Edition)
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20 pages, 9002 KiB  
Article
Projecting the Potential Global Distribution of Sweetgum Inscriber, Acanthotomicus suncei (Coleoptera: Curculionidae: Scolytinae) Concerning the Host Liquidambar styraciflua Under Climate Change Scenarios
by Kaitong Xiao, Lei Ling, Ruixiong Deng, Beibei Huang, Yu Cao, Qiang Wu, Hang Ning and Hui Chen
Insects 2024, 15(11), 897; https://doi.org/10.3390/insects15110897 (registering DOI) - 18 Nov 2024
Viewed by 243
Abstract
Acanthotomicus suncei is a newly discovered bark beetle in China that significantly threatens the American sweetgum Liquidambar styraciflua. In recent years, this pest has spread from its original habitat to many surrounding cities, causing substantial economic and ecological losses. Considering the wide [...] Read more.
Acanthotomicus suncei is a newly discovered bark beetle in China that significantly threatens the American sweetgum Liquidambar styraciflua. In recent years, this pest has spread from its original habitat to many surrounding cities, causing substantial economic and ecological losses. Considering the wide global distribution of its host, Liquidambar styraciflua, this pest is likely to continue to spread and expand. Once the pest colonizes a new climatically suitable area, the consequences could be severe. Therefore, we employed the CLIMEX and Random Forests model to predict the potential suitable distribution of A. suncei globally. The results showed that A. suncei was mainly distributed in Southern China, in South Hokkaido in Japan, Southern USA, the La Plata Plain in South America, southeastern Australia, and the northern Mediterranean; these areas are located in subtropical monsoon, monsoonal humid climates, or Mediterranean climate zones. Seasonal rainfall, especially in winter, is a key environmental factor that affects the suitable distribution of A. suncei. Under future climates, the total suitable area of A. suncei is projected to decrease to a certain extent. However, changes in its original habitat require serious attention. We found that A. suncei exhibited a spreading trend in Southwest, Central, and Northeast China. Suitable areas in some countries in Southeast and South Asia bordering China are also expected to show an increased distribution. The outward spread of this pest via sea transportation cannot be ignored. Hence, quarantine efforts should be concentrated in high-suitability regions determined in this study to protect against the occurrence of hosts that may contain A. suncei, thereby avoiding its long-distance spread. Long-term sentinel surveillance and control measures should be carried out as soon as A. suncei is detected, especially in regions with high suitability. Thus, our findings establish a theoretical foundation for quarantine and control measures targeting A. suncei. Full article
(This article belongs to the Section Insect Ecology, Diversity and Conservation)
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12 pages, 276 KiB  
Brief Report
Social Media Use and Fear of Missing out: An Exploratory Cross-Sectional Study in Junior High Students from Western Mexico
by Manuel Maciel-Saldierna, Ignacio Roberto Méndez-Garavito, Emmanuel Elizondo-Hernandez, Clotilde Fuentes-Orozco, Alejandro González-Ojeda, Sol Ramírez-Ochoa, Enrique Cervantes-Pérez, Berenice Vicente-Hernández, Sergio Jiram Vázquez-Sánchez, Jonathan Matías Chejfec-Ciociano and Gabino Cervantes-Guevara
Pediatr. Rep. 2024, 16(4), 1022-1033; https://doi.org/10.3390/pediatric16040087 (registering DOI) - 18 Nov 2024
Viewed by 188
Abstract
Background/Objectives: The increased use of social media in Mexico has given rise to the “fear of missing out” (FoMO) phenomenon, especially among adolescents. This study aimed to measure the extent of FoMO among junior high school students in the metropolitan area of Guadalajara, [...] Read more.
Background/Objectives: The increased use of social media in Mexico has given rise to the “fear of missing out” (FoMO) phenomenon, especially among adolescents. This study aimed to measure the extent of FoMO among junior high school students in the metropolitan area of Guadalajara, Mexico, during the COVID-19 pandemic. Additionally, this study explored the association between FoMO levels and demographic characteristics, as well as the type and frequency of social media use. Methods: A cross-sectional survey was conducted from November 2021 to January 2022 in four junior high schools. A total of 1264 students (656 females and 608 males) aged 11–16 years completed the Fear of Missing Out Scale, adapted to the Mexican context. Data on demographics, social media usage, and school shifts were collected. Statistical analyses were performed using t-tests, ANOVA, and correlation coefficients. Results: The mean FoMO score was 1.79 ± 0.64, with higher scores observed in females (p < 0.001) and students attending morning shifts (p = 0.001). Significant associations were found between higher FoMO scores and the use of social media platforms like Instagram, TikTok, and Pinterest (p < 0.001 for each). The most frequently used social media platforms were WhatsApp (1093), TikTok (828), and Instagram (583). Participants who used social media all week exhibited significantly higher FoMO scores than those who used it only on weekends (p < 0.001). Conclusions: FoMO is a significant phenomenon among junior high school students in Guadalajara, Mexico, particularly among females and those who use multiple social media platforms. The findings suggest a need for interventions to manage social media use and mitigate FoMO-related negative health outcomes in this population. Full article
(This article belongs to the Special Issue Mental Health and Psychiatric Disorders of Children and Adolescents)
12 pages, 6850 KiB  
Article
vScreenML v2.0: Improved Machine Learning Classification for Reducing False Positives in Structure-Based Virtual Screening
by Grigorii V. Andrianov, Emeline Haroldsen and John Karanicolas
Int. J. Mol. Sci. 2024, 25(22), 12350; https://doi.org/10.3390/ijms252212350 - 18 Nov 2024
Viewed by 322
Abstract
The enthusiastic adoption of make-on-demand chemical libraries for virtual screening has highlighted the need for methods that deliver improved hit-finding discovery rates. Traditional virtual screening methods are often inaccurate, with most compounds nominated in a virtual screen not engaging the intended target protein [...] Read more.
The enthusiastic adoption of make-on-demand chemical libraries for virtual screening has highlighted the need for methods that deliver improved hit-finding discovery rates. Traditional virtual screening methods are often inaccurate, with most compounds nominated in a virtual screen not engaging the intended target protein to any detectable extent. Emerging machine learning approaches have made significant progress in this regard, including our previously described tool vScreenML. The broad adoption of vScreenML was hindered by its challenging usability and dependencies on certain obsolete or proprietary software packages. Here, we introduce vScreenML 2.0 to address each of these limitations with a streamlined Python implementation. Through careful benchmarks, we show that vScreenML 2.0 outperforms other widely used tools for virtual screening hit discovery. Full article
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14 pages, 2420 KiB  
Article
Adaptation to Sodium Hypochlorite and Potassium Permanganate May Lead to Their Ineffectiveness Against Candida albicans
by Tomasz M. Karpiński, Marzena Korbecka-Paczkowska, Marcin Ożarowski, Donald Włodkowic, Marzena Liliana Wyganowska, Agnieszka Seremak-Mrozikiewicz and Judyta Cielecka-Piontek
Pharmaceuticals 2024, 17(11), 1544; https://doi.org/10.3390/ph17111544 - 17 Nov 2024
Viewed by 292
Abstract
Background/Objectives: Adaptation can reduce or completely eliminate the effectiveness of antibiotics and antiseptics at clinical concentrations. To our knowledge, no studies have examined fungal adaptation to antiseptics. This study aimed to preliminarily investigate the potential for Candida albicans adaptation to eight antiseptics. Methods: [...] Read more.
Background/Objectives: Adaptation can reduce or completely eliminate the effectiveness of antibiotics and antiseptics at clinical concentrations. To our knowledge, no studies have examined fungal adaptation to antiseptics. This study aimed to preliminarily investigate the potential for Candida albicans adaptation to eight antiseptics. Methods: The minimal inhibitory concentration (MIC), drug susceptibility, adaptation to antiseptics, and Karpinski Adaptation Index (KAI) of C. albicans strains were assessed. Results: The antiseptics with the most effective MICs activity against C. albicans were octenidine dihydrochloride (OCT), chlorhexidine digluconate (CHX), and polyhexamethylene biguanide (polyhexanide, PHMB). Sodium hypochlorite (NaOCl) and ethacridine lactate (ET) demonstrated moderate activity, while boric acid (BA), povidone–iodine (PVI), and potassium permanganate (KMnO4) showed the weakest activity. The MIC values for NaOCl and KMnO4 were close to or equal to the clinical concentrations used in commercial products. The studied strains were susceptible to econazole, miconazole, and voriconazole. Resistance to other drugs occurred in 10–30% of the strains. Antifungal resistance remained unchanged after antiseptic adaptation testing. The lowest KAI values, indicating very low resistance risk, were observed for CHX, OCT, and PHMB. PVI and BA presented a low risk, ET a moderate risk. KMnO4 and NaOCl had the highest KAI values, indicating high and very high resistance risk in Candida yeasts. Conclusions: C. albicans strains can adapt to antiseptics to varying extents. For most antiseptics, adaptation does not significantly affect their clinical efficacy. However, due to adaptation, NaOCl and KMnO4 may become ineffective against C. albicans strains even at clinical concentrations. Full article
(This article belongs to the Section Pharmacology)
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20 pages, 1067 KiB  
Article
Predicting Syndromic Status Based on Longitudinal Data from Parental Reports of the Presence of Additional Structural and Functional Anomalies in Children Born with an Orofacial Cleft
by Amy J. V. Davies, Yvonne E. Wren, Mark Hamilton, Jonathan R. Sandy, Evangelia Stergiakouli and Sarah J. Lewis
J. Clin. Med. 2024, 13(22), 6924; https://doi.org/10.3390/jcm13226924 (registering DOI) - 17 Nov 2024
Viewed by 250
Abstract
Background: Orofacial clefts are the most common craniofacial congenital malformation in humans. Approximately 30% of clefts arise as part of a syndrome or sequence, characterised by co-existing structural and functional anomalies. Many syndromes are thought to be undiagnosed, although the presence of multiple [...] Read more.
Background: Orofacial clefts are the most common craniofacial congenital malformation in humans. Approximately 30% of clefts arise as part of a syndrome or sequence, characterised by co-existing structural and functional anomalies. Many syndromes are thought to be undiagnosed, although the presence of multiple anomalies may indicate the presence of a syndrome or sequence. Aim: To determine the extent to which the presence of additional structural and functional anomalies can help to identify those children with an undiagnosed syndrome. Methods: Secondary data analysis was performed using data from 1701 children born with an orofacial cleft, collected as part of a longitudinal cohort study, the Cleft Collective. Data were collected between 2013 and 2023 across the United Kingdom. The prevalence of structural and functional anomalies and syndromes were explored using descriptive statistics. Logistic regression was used to determine the extent to which anomalies can predict syndromic status. Results: A syndrome and/or sequence was reported in 20.5% children. Among children who reported five or more anomalies, the prevalence of a diagnosed syndrome was 81.5%. When adjusting for cleft subtype and sex, in 27 out of 32 anomalies tested, strong evidence was found to suggest increased odds of having a syndrome if the specific anomaly was present compared to if the anomaly was absent (p-values ranged between 1.4 × 10−30 and 0.002). Conclusions: Children born with a cleft who present with two or more anomalies are much more likely to have a syndrome than those with fewer anomalies and should be prioritised for genetic screening and counselling. Full article
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Article
Prevalence and Associated Risk Factors of Urinary Incontinence in Sexually Active Women in Ecuador
by Ana Lucía Zeas-Puga, Viviana Méndez-Sacta, Bernardo Vega Crespo, Bieke Samijn, François Hervé, Patricia Martínez-Merinero and Daniel Pecos-Martín
Healthcare 2024, 12(22), 2296; https://doi.org/10.3390/healthcare12222296 - 17 Nov 2024
Viewed by 478
Abstract
Background/Objectives: Urinary incontinence (UI) significantly affects women’s health worldwide, but its specific prevalence in Ecuador is not well documented. This research aimed to determine the prevalence of urinary incontinence among sexually active women in the Cuenca canton and the factors associated with its [...] Read more.
Background/Objectives: Urinary incontinence (UI) significantly affects women’s health worldwide, but its specific prevalence in Ecuador is not well documented. This research aimed to determine the prevalence of urinary incontinence among sexually active women in the Cuenca canton and the factors associated with its presence. Methods: A descriptive cross-sectional study was conducted from August 2023 to January 2024 involving 460 women aged 30 years or older attending public health centers in Cuenca, Ecuador. The ICIQ-SF questionnaire was used to assess the presence and severity of UI and its impact on quality of life, along with a data collection form. Results: The findings revealed that UI is prevalent in a population that often lacks timely diagnosis, further obscuring the true extent of the issue. The results demonstrated that sociodemographic, gyneco-obstetric, and urological factors significantly influenced the risk of developing this condition. Conclusions: This study demonstrated a high prevalence of UI among women in Cuenca, Ecuador, with a notable impact on quality of life. The aforementioned factors predispose to the development of this condition, highlighting the need for preventive and rehabilitative interventions, as well as appropriate policies to address UI as a public health issue. Full article
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