bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploration of alpha-glucosidase inhibitors: A comprehensive in silico approach targeting a large set of triazole derivatives
Authors: Abchir Oussama , Khedraoui Meriem , Yamari Imane , Nour Hassan , Errougui Abdelkbir , Samadi Abdelouahid , Chtita Samir 
Published: September 2024

Background
The increasing prevalence of diabetes and the side effects associated with current medications necessitate the development of novel candidate drugs targeting alpha-glucosidase as a potential treatment option.

Methods
This study employed computer-aided drug design techniques to identify potential alpha-glucosidase inhibitors from the PubChem database. Molecular docking was used to evaluate 81,197 compounds, narrowing the set for further analysis and providing insights into ligand-target interactions. An ADMET study assessed the pharmacokinetic properties of these compounds, including absorption, distribution, metabolism, excretion, and toxicity. Molecular dynamics simulations validated the docking results.

Results
9 compounds were identified as potential candidate drugs based on their ability to form stable complexes with alpha-glucosidase and their favorable pharmacokinetic profiles, three of these compounds were subjected to the molecular dynamics, which showed stability throughout the entire 100 ns simulation.

Conclusion
These findings suggest promising new alpha-glucosidase inhibitors for diabetes treatment. Further validation through in vitro and in vivo studies is recommended to confirm their efficacy and safety.
Risk assessment and clinical implications of COVID-19 in multiple myeloma patients: A systematic review and meta-analysis
Authors: Mahmud Sultan , Hossain Md. Faruk , Muyeed Abdul , Nazneen Shaila , Haque Md. Ashraful , Mazumder Harun , Mohsin Md 
Published: September 2024

Introduction
Patients with multiple myeloma (MM) face heightened infection susceptibility, particularly severe risks from COVID-19. This study, the first systematic review in its domain, seeks to assess the impacts of COVID-19 on MM patients.

Method
Adhering to PRISMA guidelines and PROSPERO registration (ID: CRD42023407784), this study conducted an exhaustive literature search from January 1, 2020, to April 12, 2024, using specified search terms in major databases (PubMed, EMBASE, and Web of Science). Quality assessment utilized the JBI Critical checklist, while publication bias was assessed using Egger’s test and funnel plot. The leave-one-out sensitivity analyses were performed to assess the robustness of the results by excluding one study at a time to identify studies with a high risk of bias or those that significantly influenced the overall effect size. Data synthesis involved fitting a random-effects model and estimating meta-regression coefficients.

Results
A total of 14 studies, encompassing a sample size of 3214 yielded pooled estimates indicating a hospitalization rate of 53% (95% CI: 40.81, 65.93) with considerable heterogeneity across studies (I2 = 99%). The ICU admission rate was 17% (95% CI: 11.74, 21.37), also with significant heterogeneity (I2 = 94%). The pooled mortality rate was 22% (95% CI: 15.33, 28.93), showing high heterogeneity (I2 = 97%). The pooled survival rate stood at 78% (95% CI: 71.07, 84.67), again exhibiting substantial heterogeneity (I2 = 97%). Subgroup analysis and meta-regression highlighted that study types, demographic factors, and patient comorbidities significantly contributed to the observed outcome heterogeneity, revealing distinct patterns. Mortality rates increased by 15% for participants with a median age above 67 years. ICU admission rates were positively correlated with obesity, with a 20% increase for groups with at least 19% obesity. Mortality rates rose by 33% for the group of patients with at least 19% obesity, while survival rates decreased by 33% in the same group.

Conclusion
Our meta-analysis sheds light on diverse COVID-19 outcomes in multiple myeloma. Heterogeneity underscores complexities, and study types, demographics, and co-morbidities significantly influence results, emphasizing the nuanced interplay of factors.
A causal relationship between sarcopenia and cognitive impairment: A Mendelian randomization study
Authors: Liu Hengzhi , Fan Yi , Liang Jie , Hu Aixin , Chen Wutong , Wang Hua , Fan Yifeng , Li Mingwu , Duan Jun , Wang Qinzhi 
Published: September 2024

Objective
Sarcopenia and cognitive impairment often coexist in the elderly. In this study, we investigated the causal relationship between sarcopenia-related muscle characteristics and cognitive performance.

Methods
We used linkage disequilibrium score regression (LDSC) and Mendelian Randomization (MR) analyses to estimate genetic correlations and causal relationships between genetically predicted sarcopenia-related muscle traits and cognitive function, as well as cognitive function-based discovery samples and replicated samples. Estimated effect sizes were derived from a fixed-effects meta-analysis.

Results
Our univariate genome-wide association study (GWAS) meta-analysis indicated a causal relationship between appendicular lean mass (ALM) (β = 0.049; 95% confidence interval (CI): 0.032–0.066, P < 0.001) and walking pace (β = 0.349; 95% CI: 0.210–0.487, P < 0.001) with cognitive function, where a causal relationship existed between ALM in both male and female (βALM-Male(M) = 0.060; 95% CI: 0.031–0.089, PALM-M < 0.001; βALM-Female(F) = 0.045; 95% CI: 0.020–0.069, PALM-F < 0.001) with cognitive function. Low grip strength was not causally associated with cognitive function (β = -0.045; 95% CI: -0.092 - -0.002, P = 0.062). A reverse causality GWAS meta-analysis showed a causal relationship between cognitive function and ALM (β = 0.033; 95% CI: 0.018–0.048, P < 0.001) and walking pace (β = 0.039; 95% CI: 0.033–0.051, P < 0.001), where ALM in both male and female showed a causality (βALM-M = 0.041; 95% CI: 0.019–0.063, PALM-M < 0.001; βALM-F = 0.034; 95% CI: 0.010–0.058, PALM-F = 0.005). Cognitive function was not causally related to low grip strength (β = -0.024; 95% CI: -0.073–0.025, P = 0.344). Multivariable MR1 (MVMR1) analyses showed a significant causal relationship for ALM (β = 0.077; 95% CI: 0.044–0.109, P = 0.000) and walking pace (β = 0.579; 95% CI: 0.383–0.775, P = 0.000) and cognitive function. Multivariable MR2 (MVMR2) multivariate analysis showed that ALM causality remained (β = 0.069; 95% CI: 0.033–0.106, P = 0.000), and walking pace (β = 0.589; 95% CI: 0.372–0.806, P = 0.000).

Conclusions
Bidirectional two-sample MR demonstrated that sarcopenia-related muscle characteristics and cognitive performance were positive causal genetic risk factors for each other, while a multivariable MR study demonstrated that low ALM and a slow walking pace were causally involved in reduced cognitive performance. This study suggests a causal relationship between sarcopenia and cognitive impairment in older adults and provide new ideas for prevention and treatment.
Prevalence of systemic antibacterial use during pregnancy worldwide: A systematic review
Authors: Guimarães Fernando Silva , Dal-Pizzol Tatiane da Silva , Silveira Marysabel Pinto Telis , Bertoldi Andréa Dâmaso 
Published: September 2024

Objectives
In this study, we aimed to systematically review the literature of the prevalence of systemic antibacterial use during pregnancy and to perform a descriptive analysis focused on methodological characteristics.

Materials and methods
This study was registered in PROSPERO under protocol number CRD42022376634. Medline, Embase, Scientific Electronic Library Online, Biblioteca Virtual em Saúde, Cumulative Index to Nursing and Allied Health Literature, and Web of Science databases were searched (published studies until November 3rd, 2022). Selected studies were population-based cross-sectional or cohort, carried out with pregnant women, and providing information about the prevalence of systemic antibacterial use at least in one trimester of pregnancy. Reviewers conducted in pairs the title and abstract screening, eligibility criteria check, and data extraction of selected studies. Quality appraisal was performed with an adapted version of the Joanna Briggs Institute Critical Appraisal Checklist for Prevalence Studies. Data of included studies were pooled into a graphical and tabular summary.

Results
A total of 16,251,280 pregnant women and 5,169,959 pregnancy registers were identified. The prevalence estimates of systemic antibacterial use during pregnancy ranged from 2.0% (95%CI 2.0–2.0) to 64.3% (95%CI not reported) in the 79 included studies. The majority were performed in high-income countries (91.5%). Overall, the studies revealed considerable prevalence heterogeneity in terms of study type and dataset used. The 95% confidence intervals were not reported in 41% of studies.

Conclusion
The disparities in the prevalence of systemic antibacterial use during pregnancy can be related to methodological issues and different health policies. Lack of uniform databases and changes in data collection methods over time should be taken into account in public health strategy planning. The scarce evidence in low- and middle-income settings hampers the comprehensiveness of the global prevalence of antibacterial use during pregnancy.
Sleep patterns, genetic susceptibility, and venous thromboembolism: A prospective study of 384,758 UK Biobank participants
Authors: Bai Jiaxin , Yang Ziyu , Jia Yu , Yu Jing , Jiang Wenli , Liu Yi , Li Fanghui , Zeng Rui , Wan Zhi , Lei Yi , Liao Xiaoyang , Li Dongze , Zhao Qian 
Published: September 2024

Background
Although healthy sleep patterns have been linked to a lower risk of cardiovascular disease in earlier research, it is unclear how beneficial they are for venous thromboembolism (VTE).

Aim
This research aimed to examine the correlation between sleep patterns, genetic susceptibility, and VTE.

Methods
In the UK Biobank cohort, healthy sleep behaviors were defined as early chronotype, 7–8 hours of sleep each day, no snoring, infrequent insomnia, and infrequent daytime sleepiness. Each of the five criteria was given 1 point, creating a healthy sleep score ranging from 0 to 5. Cox proportional hazards regression models were utilized to examine the associations between genetic susceptibility, healthy sleep score and VTE.

Results
The UK Biobank study included 384,758 participants aged 56.6 ± 8.0 years. After a median of 11.9 years of follow-up, 8,885 (2.3%) participants were diagnosed with VTE. A healthy sleep score inversely affected VTE risk. For participants with a score of 5, the hazard ratio of VTE was 0.813 (95% confidence interval: 0.758–0.873, P<0.001) compared to those with a score ≤2. Early chronotype, sleeping 7–8 hours each day, infrequent insomnia, and infrequent daytime sleepiness were significantly associated with a 7.9%, 8.3%, 5.1%, and 20.7% lower risk of VTE, respectively. In addition, the correlation between sleep pattern and the incidence of VTE was consistent, regardless of genetic susceptibility (P for interaction = 0.366).

Conclusions
Our secondary analysis of a large-scale prospectively gathered registry revealed that individuals with a healthy sleep pattern are significantly correlated with lower risk of developing VTE, irrespective of genetic susceptibility.
Impact of different visceral metastatic sites on survival in metastatic prostate cancer patients
Authors: Lai Gu-Shun , Chen Chuan-Shu , Cheng Jason Chia-Hsien , Li Jian-Ri , Yang Cheng-Kuang , Lin Chia-Yen , Hung Sheng-Chun , Chiu Kun-Yuan , Wang Shian-Shiang 
Published: September 2024

Introduction
Visceral metastasis is an important predictor for poor outcomes in prostate cancer, however, the prognostic significance surrounding the specific sites of visceral metastasis remains unclear. The aim of this study was to evaluate the impact of different visceral metastatic sites on survival in patients with prostate cancer.

Methods
We identified patients with metastatic prostate cancer between January 1, 2010 and December 31, 2023 using the TriNetX database. Patients were divided into 4 cohorts according to their specific metastatic sites: lung metastases, brain metastases, liver metastases, and bone metastases. Survival analysis was calculated using the Kaplan-Meier method and Cox regression models.

Results
In total, 59,875 patients diagnosed with metastatic prostate cancer were identified, with 39,495 (65.2%) having bone metastases, 7,573 (12.5%) lung metastases, 5,240 (8.7%) brain metastases, and 7,567 (12.5%) liver metastases. The median overall survival was 44.4 months for patients with bone metastases, 31.9 months for lung metastases, 9.6 months for brain metastases, and 10 months for liver metastases. Lung metastases were associated with an improved survival when compared with liver and brain metastases. For patients with two visceral metastatic sites or concomitant bone metastases, liver metastases were related to worse outcomes. Asian patients experienced better OS than Caucasian and African American patients in visceral metastatic prostate cancer.

Conclusion
Patients with lung metastases experienced better survival outcomes in prostate cancer with only one visceral metastatic site. Liver metastases were associated with worse outcomes when there were two visceral metastatic sites combined or concomitant bone metastases. Asian patients displayed improved survival rates when compared with both Caucasian and African American patients in visceral metastatic prostate cancer.
The Roles of the Terms of Trade and the Real Exchange Rate in the Current Account Balance
Authors: Köse Nezir , Ünal Emre 
Published: September 2024

Abstract
Turkey has been suffering from a persistent deficit in its current account for decades. The connection between the oil price, the real exchange rate, the terms of trade, industrial production, the foreign direct investments, and the current account balance was investigated by using the structural vector autoregression (SVAR) model. The exchange rate and industrial production accounted for the largest explanatory shares in the balance, according to variance decomposition, although their impacts diminished with time. The balance was also strongly influenced by the terms of trade. In the first few months, the oil price had a weak influence on the balance. However, its impact gradually grew over the course of the following periods. The impulse response functions showed that the exchange rate, industrial production, and terms of trade had a positive and significant effect on the current account balance in the short-term. Furthermore, the SVAR model was applied to the time frame before the COVID-19 pandemic. The results indicated that although the basic findings for the exchange rate and industrial production remained unchanged, their explanatory significance for the current account balance decreased. As a consequence, the country must formulate fiscal and monetary strategies that are advantageous in mitigating the impact of these variables on the balance.
Constitutional Values and Freedom of Contract
Authors: Fabre-Magnan Muriel 
Published: September 2024

Abstract
The balancing of freedom of contract against fundamental values seems to be a classic subject. It is commonly taught in contract law that fundamental principles may constitute a limit on freedom of contract, and justify infringement of the freedom of choice of the contracting party or, above all, of the freedom to determine the content of the contract. There are indeed a number of values that may justify infringement: the protection of the weaker party, but also other more contemporary issues such as environmental protection. It therefore appears that the heart of freedom of contract, the only intangible value that must be constitutionally protected, is the freedom to enter into or not to enter into a contract. In our view, however, the subject should also be taken in the other direction: certain fundamental values must in fact be protected because they are the very conditions under which freedom of contract is possible. In other words, certain limits on freedom of contract serve not only to protect fundamental values but also to protect freedom of contract itself. To forget this could lead to a reversal of that freedom and thus to a collapse of the legal framework necessary for the protection of constitutional values.
Tenho cantado and venho cantando in Brazilian Portuguese
Authors: Müller Lukas 
Published: September 2024

Abstract
We investigate the well studied Pretérito Perfeito Composto (tenho cantado) and the rather under-studied vir + gerúndio periphrasis (venho cantando) in Brazilian Portuguese based on the working hypothesis that they represent functionally highly similar but competing constructions. Aiming at identifying linguistic factors that impact the choice between them, the theoretical and corpus-based analysis discovers a diverging treatment of the underlying eventuality’s potential to be continued after the speech time, as well as a contrary preference concerning morphological number of involved arguments. Within a broader research context, this contributes new evidence concerning the current status of the Pretérito Perfeito Composto in Brazilian Portuguese. While it has been argued that it tends be displaced more and more by the Simple Past, the present study reveals that the vir + gerúndio periphrasis is another emerging competitor.
Intégrité publique au Québec : critiques et observations des modifications à la Loi facilitant la divulgation d’actes répréhensibles à l’égard des organismes publics et du projet de loi n° 53
Authors: Simard Jeanne , Mayer Jordan , Aubin France 
Published: September 2024

Pour faire suite à une recommandation de la commission Charbonneau, l’Assemblée nationale du Québec adoptait en décembre 2017 la Loi facilitant la divulgation d’actes répréhensibles à l’égard des organismes publics qui a été sanctionnée en mai 2017. Bien que représentant une avancée majeure pour la protection des lanceurs d’alerte, la Loi a été l’objet de plusieurs critiques au cours des dernières années, mettant en lumière les limites du régime associé, qui s’est avéré, à certains égards, insuffisant pour assurer son esprit. C’est pour répondre à ces limites que le projet de loi no 53 Loi édictant la Loi sur la protection contre les représailles liées à la divulgation d’actes répréhensibles et modifiant d’autres dispositions législatives a été sanctionné à l’Assemblée nationale le 29 mai 2024. Dans les pages qui suivent, nous reviendrons d’abord sur les critiques visant la loi adoptée en 2016, puis nous présenterons nos observations sur le projet de loi no 53, qui entrera en vigueur le 30 novembre prochain. Nous verrons qu’en dépit d’avancées pour la protection des lanceurs d’alerte, le projet de loi affiche également des lacunes toujours persistantes.
Improving Timely Administration of Essential Outpatient Medications in a Pediatric ED
Authors: Creedon Jessica K. , Marini Michelle , Erdner Kim , Trexler Megan , Gerling Megan , Porter John J. , Kent Caitlin , Capraro Andrew , Volpe Diana , Shah Dhara , Paydar-Darian Niloufar , Perron Catherine , Stack Anne , Hudgins Joel D. 
Published: September 2024

BACKGROUND AND OBJECTIVES
The complexity of pediatric patients’ outpatient medication regimens is increasing, and risk for medication errors is compounded in a busy emergency department (ED). As ED length of stay (LOS) increases, timely and accurate administration of essential outpatient medications has become increasingly challenging. Our objective was to increase the frequency of ordering of essential outpatient medications for patients with ED LOS &gt;4 hours from 56% to 80% by June 2023.

METHODS
We conducted a quality improvement (QI) initiative in a pediatric ED with ∼60 000 annual visits comprising a total of 91 000 annual medication orders. We defined essential outpatient medications as antiepileptic drugs, cardiovascular medications, and immunosuppressants. Our QI interventions included a combination of electronic health record interventions, a triage notification system to identify patients with essential outpatient medications, and widespread educational interventions including trainee orientation and individualized nursing education. The primary outcome measure was percentage of essential outpatient medications ordered among patients with an ED LOS &gt;4 hours, with a secondary measure of outpatient medication safety events.

RESULTS
Baseline monthly ordering rate of selected medications for patients with an ED LOS &gt;4 hours was 54%, with an increase to 66% over the study period. Refining our population yielded a rate of 81%. Outpatient medication safety events remained unchanged, with an average of 952 ED encounters between events.

CONCLUSIONS
A multidisciplinary QI initiative led to increased essential outpatient medication ordering for patients in a pediatric ED with no change in safety events.
Approaches to Soil Hazard in Partially Nonergodic Ground-Motion Models
Authors: Liou Irene , Abrahamson Norman A. , Pretell Renmin 
Published: September 2024

ABSTRACT
Partially nonergodic ground-motion models (GMMs) are used in probabilistic seismic hazard analysis for calculating site-specific hazards for soil sites. In calculating soil hazard as a part of the partially nonergodic methodology (also called single-station sigma), the ergodic sigma is reduced by modeling the median site-specific site term relative to the ergodic GMM. The standard deviation of the median site-specific site term is removed from the ergodic standard deviation, but the global value of the site-amplification (AF) variability about the median site term remains in the single-station sigma. It has been common practice to include the aleatory variability of site amplification from analytical modeling of the site response in the soil hazard calculation combined with the single-station sigma for the input motion variability, but this double counts the site-amplification variability by including both the global AF variability and the site-specific AF variability. Two approaches for avoiding this double counting are presented: (1) remove the global AF variability and add the site-specific AF variability for both linear and nonlinear behavior; and (2) assume that at low strain, the site-specific AF variability is equal to the global AF variability. This second approach eliminates the need to estimate global AF variability for the linear range, which is currently not well calibrated. A second issue related to aleatory variability for site response is the treatment of the model error from a 1D site response analysis. In some approaches, the model error is combined with aleatory variability for a simplified approach to estimating the mean hazard, but the model error should be modeled as an epistemic uncertainty as the model error can be reduced with improvements to the model.
Closing the gap: Navigating the percutaneous path for a 2-month-old infant\'s perimembranous ventricular septal defect
Authors: Paliwal Mohan , Munde Kalyan , Munde Anant 
Published: September 2024

Ventricular septal defects (VSDs) represent a substantial portion of congenital heart diseases, with perimembranous VSD (pmVSD) being the most prevalent variant. While surgical closure is conventional, it carries risks such as atrioventricular block, infection, and neurological issues. In contrast, catheter-based interventions have shown promise, particularly for muscular VSDs, but data for pmVSD closure remains limited. We present a case of a 2-month-old male infant referred for heart failure symptoms, characterized by a grade 3/6 pan systolic murmur and mild cardiomegaly on chest X-ray. Echocardiography revealed a 5.5 mm pmVSD with a peak gradient of 32 mm of Hg and pulmonary artery systolic pressure of 10 mm of Hg. Despite de-congestive therapy, the patient showed no symptomatic improvement, prompting consideration of percutaneous device closure due to the infant's low body weight (3 kg) and failure to thrive.This case report discusses the successful percutaneous closure of a perimembranous ventricular septal defect (pmVSD) in the youngest patient ever recorded. It highlights the effectiveness of transcatheter techniques in managing congenital heart defects in young patients.