bluuebunny/crossref_metadata_2025_split huggingface dataset:
Discovery of Potential Compounds Against SARS-CoV-2 Based on
3CLpro/RdRp Dual-target: An In silico Approach
Authors: Li Jiaojiao , Zhu Lin , Qin Zheng , Li Zhengfu , Gao Xun , Ji Jing , Shen Jinyang 
Published: August 2022

Background:
The COVID-19 outbreak is a serious concern and has caused a great loss to the
global economy. Therefore, COVID-19 has become an urgent public health problem. Although new vaccines
and small molecule drugs are now available, these prevention and treatment methods cannot completely
control the epidemic due to the constant mutation of SARS-CoV-2. Targeting 3CLpro/RdRp is
expected to develop drugs that are not susceptible to the mutation of SARS-COV-2, and it will also have
a certain effect on the coronavirus that may appear in the future.

Objective:
This study aimed to find small molecules against SARS-CoV-2 with research potential and
provide relevant data for the rational development of anti-SARS-COV-2 drugs.

Methods:
Targeting 3CLpro/RdRp, using Shards database (120,000 natural small molecule compounds)
in the ZINC database, adopting a step-by-step screening strategy, and taking Lopinavir, Indinavir, and
Molnupiravir as screening criteria was done. Moreover, the top scoring compounds were screened using
rigid docking, and molecular dynamics simulation and ADME prediction were performed. Finally, the
molecules with better scores were screened out.

Results:
After molecular docking with 3CLpro as the target, 3207 compounds meeting the screening criteria
were obtained. After applying Lipinski's rule of five for drug property screening, 1825 compounds
that met the criteria were obtained. After molecular docking with RdRp as the target, ZINC04259665 has
a good docking score. According to molecular dynamics simulation results, ZINC04259665 is stable in
combination with 3CLpro/RdRp. ADME prediction shows that ZINC04259665 has good druggability.

Conclusion:
Using 3CLpro/RdRp targets and then using a step-by-step strategy to screen the compound
with the highest score through molecular dynamics simulation and ADME prediction, it was found that
ZINC04259665 has good development potential and can be used as a follow-up hit compound for research.
In addition, the data obtained provide relevant information for the rational development of anti-
SARS-COV-2 drugs.
Morphine Use Did Not Eliminate the Effect of Pain on Complications After Acute Myocardial Infarction.
Authors: Abu Taha Anas , AbuRuz Mohannad Eid , Momani Aaliyah 
Published: August 2022

Background:
Patients with Acute Myocardial Infarction (AMI) are usually present complaining of severe chest pain. This pain results from an imbalance between oxygen supply and demand, leading to severe complications. Different guidelines recommend using Morphine as a drug of choice for treating this pain.

Objective:
This study aimed to check the effect of chest pain and Morphine use on complications rate after AMI.

Methods:
This was a prospective observational study with a consecutive sample of 300 patients with AMI. Data were collected by direct patients interview and medical records review in the emergency departments & Intensive Care Units (ICU). Any complication developed within the hospital stay and after AMI was recorded. All correlated variables were analyzed using the binary logistic regression model.

Results:
The sample included 176 (58.7%) men and 124 (41.3%) women with a mean age of 56.92±12.13 years. A total of 83 patients (27.7%) developed one or more in-hospital complications. Acute recurrent ischemia was the most frequent complication; 70 (23.3%). Severe chest pain (≥ 7), duration of chest pain (more than 5 minutes), history of previous MI, and history of hypertension increased the occurrence of complications by 13%, 7%, 63%, and 25%, respectively. However, the use of Morphine did not have any protective effect against the development of these complications.

Conclusion:
The severity and duration of chest pain increased the occurrence of complications. Morphine administration did not have any protective effect against the development of these complications. Thus, it is recommended to update different policies and guidelines to use other types of chest pain relief methods, e.g., treating the underlying cause of chest pain and addressing the imbalance between oxygen supply and demand.
Implementation of a Health Promotion Practice Using Individually Targeted Lifestyle Interventions in Primary Health Care: Protocol for the “Act in Time” Mixed Methods Process Evaluation Study
Authors: Strid Emma Nilsing , Wallin Lars , Nilsagård Ylva 
Published: August 2022

Background
There is growing evidence that noncommunicable diseases (NCDs) can be attributable to unhealthy lifestyle habits. However, there has been little application of this knowledge in primary health care (PHC).

Objective
This study aims to evaluate the process and outcomes of a multifaceted implementation strategy for a healthy lifestyle-promoting practice in a PHC setting. This practice is based on national guidelines targeting unhealthy lifestyle habits with a potential risk for NCDs.

Methods
A pre-post implementation study design with a control group is used in a PHC setting in central Sweden. The Medical Research Council guidelines for process evaluation of complex interventions will be applied. The implementation process and outcomes will be assessed using a mix of qualitative and quantitative methods. A strategic sample of up to 6 PHC centers will be included as intervention centers, which will receive a 12-month multifaceted implementation strategy. Up to 6 matched PHC centers will serve as controls. Core components in the implementation strategy are external and internal facilitators in line with the integrated-Promoting Action on Research Implementation in Health Services (i-PARIHS) framework and the Astrakan change leadership model. Data will be collected at baseline, during the implementation phase, and 4-6 months after the implementation strategy. Questionnaires will be sent to roughly 500 patients in every PHC center and 200 health care professionals (HCPs) before and after implementation. In addition, purposeful sampling will be used for interviews and focus group discussions with managers, HCPs, patient representatives, and internal and external facilitators. Use of data from medical records and activity logs will be an additional data source.

Results
Recruitment of PHC centers began in March 2021 and ended in Spring 2022. Based on the planned timeline with the 12-month implementation strategy and 4-6-month follow-up, we expect to collect the final data in Summer 2023.

Conclusions
This study will explain implementation process and outcomes using a multifaceted implementation strategy for a healthy lifestyle-promoting practice in a real-world PHC context. The study is expected to provide new knowledge about the role of facilitators and their contribution to implementation outcomes. These findings can guide policy makers, managers, and PHC staff to integrate health promotion and disease prevention in PHC and provide methodological support to facilitators.

Trial Registration
ClinicalTrials.gov NCT04799860; https://clinicaltrials.gov/ct2/show/NCT04799860

International Registered Report Identifier (IRRID)
DERR1-10.2196/37634
Waiting Lists for Psychotherapy and Provider Attitudes Toward Low-Intensity Treatments as Potential Interventions: Survey Study
Authors: Peipert Allison , Krendl Anne C , Lorenzo-Luaces Lorenzo 
Published: August 2022

Background
Common mental disorders, including depression and anxiety, are leading causes of disability worldwide. Digital mental health interventions, such as web-based self-help and other low-intensity treatments (LITs) that are not digital (eg, bibliotherapy), have the potential to reach many individuals by circumventing common barriers present in traditional mental health care. It is unclear how often LITs are used in clinical practice, or whether providers would be interested in their use for treatment waiting lists.

Objective
The aims of this study were to (1) describe current practices for treatment waiting lists, (2) describe providers’ attitudes toward digital and nondigital LITs for patients on a waiting list, and (3) explore providers’ willingness to use digital and nondigital LITs and their decisions to learn about them.

Methods
We surveyed 141 practicing mental health care providers (eg, therapists and psychologists) and provided an opportunity for them to learn about LITs.

Results
Most participants reported keeping a waiting list. Few participants reported currently recommending digital or nondigital LITs, though most were willing to use at least one for patients on their waiting list. Attitudes toward digital and nondigital LITs were neutral to positive. Guided digital and nondigital LITs were generally perceived to be more effective but less accessible, and unguided interventions were perceived to be less effective but more accessible. Most participants selected to access additional information on LITs, with the most popular being web-based self-help.

Conclusions
Results suggest providers are currently not recommending LITs for patients on treatment waiting lists but would be willing to recommend them. Future work should explore barriers and facilitators to implementing digital and nondigital LITs for patients on treatment waiting lists.
Telehealth Frontiers: Social Telerobots in Developmental and Behavioral Pediatrics
Authors: Ahumada-Newhart Veronica , Marcin James 
Published: August 2022

Background
COVID-19 has severely impacted health in vulnerable demographics. As communities transition back to in-person work, learning, and social activities, pediatric patients who are restricted to their homes due to medical conditions face unprecedented isolation. Prior to the pandemic, it was estimated that each year, over 2.5 million US children remained at home due to medical conditions. Confronting gaps in health and technical resources is central to addressing the challenges faced by children who remain at home. Having children use mobile telemedicine units (telerobots) to interact with their outside environment (eg, school and play, etc) is increasingly recognized for its potential to support children’s development. Additionally, social telerobots are emerging as a novel form of telehealth. A social telerobot is a tele-operated unit with a mobile base, 2-way audio/video capabilities, and some semiautonomous features.

Objective
In this paper, we aimed to provide a critical review of studies focused on the use of social telerobots for pediatric populations.

Methods
To examine the evidence on telerobots as a telehealth intervention, we conducted electronic and full-text searches of private and public databases in June 2010. We included studies with the pediatric personal use of interactive telehealth technologies and telerobot studies that explored effects on child development. We excluded telehealth and telerobot studies with adult (aged >18 years) participants.

Results
In addition to telehealth and telerobot advantages, evidence from the literature suggests 3 promising robot-mediated supports that contribute to optimal child development—belonging, competence, and autonomy. These robot-mediated supports may be leveraged for improved pediatric patient socioemotional development, well-being, and quality-of-life activities that transfer traditional developmental and behavioral experiences from organic local environments to the remote child.

Conclusions
This review contributes to the creation of the first pediatric telehealth taxonomy of care that includes the personal use of telehealth technologies as a compelling form of telehealth care.
TAHAPAN PERKEMBANGAN KOGNITIF PADA MASA EARLY CHILDHOOD
Authors: Hijriati Hijriati 
Published: August 2022

Perkembangan kognitif sangat penting untuk mengembangkan kemampuan anak
dalam mengeksplorasi lingkungan, karena berkaitan dengan pikiran sadar
seorang anak. Semakin bertambah besarnya koordinasi dan pengendalian
motorik, maka dunia kognitif anak berkembang pesat, makin kreatif, bebas dan
imajinatif. Perkembangan kognitif pada Tahap Praoperasional (early childhood)
yang membentang selama usia 2 hingga 7 tahun, perubahan paling jelas yang
terjadi adalah peningkatan luar biasa dalam aktivitas representasi atau
simbolis.Pada masa early childhood merupakan tahap awal pembentukan konsep
secara stabil. Penalaran mental mulai muncul, egosentrisme mulai kuat dan
kemudian lemah, serta keyakinan terhadap hal yang magis terbentuk. Anak
sudah mulai memahami pengetahuan umum dan sains serta mengenal konsep
ukuran, bentuk, warna dan pola. Melalui perkembangan kognitif, fungsi pikir
anak dapat digunakan dengan cepat dan tepat untuk mengatasi suatu situasi
dalam memecahkan suatu masalah. Faktor yang mempengaruhi perkembangan
kognitifpada masa early childhood diantaranya faktor hereditas/keturunan faktor
lingkungan,faktor kematangan,faktor pembentukan,faktor kebebasan, dan faktor
minat dan bakat. Adapun tujuan perkembangan kognitif diarahkan pada
pengembangan auditory, visual, taktik, kinestetik, aritmetika, geometri, dan sains
permulaan.
PARROT: Prediction of enzyme abundances using protein-constrained metabolic models
Authors: Ferreira Maurício Alexander de Moura , Silveira Wendel Batista da , Nikoloski Zoran 
Published: August 2022

Motivation: Protein allocation determines activity of cellular
pathways and affects growth across all organisms. Therefore, a variety
of experimental and machine learning approaches has been developed to
quantify and predict protein abundances, respectively. Yet, despite
advances in protein quantification, it remains challenging to predict
condition-specific allocation of enzymes in metabolic networks.
Results: Here we propose a family of constrained-based
approaches, termed PARROT, to predict enzyme allocations based on the
principle of minimizing the enzyme allocation adjustment using protein
constrained metabolic models. To this end, PARROT variants model the
minimization of enzyme reallocation using four different (combinations
of) distance functions. We demonstrate that the PARROT variant that
minimizes the Manhattan distance of enzyme allocations outperforms
existing approaches based on the parsimonious distribution of fluxes or
enzymes for both Escherichia coli and Saccharomyces
cerevisiae. Further, we show that the combined minimization of flux and
enzyme allocation adjustment leads to poor and inconsistent predictions.
Together, our findings indicate that minimization of resource rather
than flux redistribution is a governing principle determining
steady-state pathway activity for microorganism grown in suboptimal
conditions.
Availability and implementation: The implementation of PARROT
can be found in the GitHub repository:
https://github.com/mauricioamf/PARROT
Associations of New-onset Atrial Fibrillation with Risks of Cardiovascular Disease, Chronic Kidney Disease and Mortality among Patients with Type 2 Diabetes
Authors: Geng Tingting , Wang Yi , Lu Qi , Zhang Yan-Bo , Chen Jun-Xiang , Zhou Yan-Feng , Wan Zhenzhen , Guo Kunquan , Yang Kun , Liu Liegang , Liu Gang , Pan An 
Published: August 2022

<p> </p>
<p><strong>Objective:</strong> Atrial fibrillation (AF) frequently occurs in patients with type 2 diabetes (T2D); however, the longitudinal associations of new-onset AF with risks of adverse health outcomes in patients with T2D remains unclear. This study aimed to determine the associations of new-onset AF with subsequent risks of atherosclerotic cardiovascular disease (ASCVD), heart failure, chronic kidney disease (CKD), and mortality among patients with T2D.</p>
<p><strong>Research design and methods: </strong>We included 16,551 adults with T2D, who were free of cardiovascular diseases (CVD) and CKD at recruitment from the UK Biobank study. Time-varying Cox regression models were used to assess the associations of incident AF with subsequent risks of incident ASCVD, heart failure, CKD, and mortality.</p>
<p><strong>Results:</strong> Among the patients with T2D, 1394 developed AF and 15,157 remained free of AF during the follow-up. Over median follow-up of 10.7-11.0 years, we documented 2872 ASCVD, 852 heart failure, 1548 CKD, and 1776 total death (409 CVD deaths). Among patients with T2D, those with incident AF had higher risks of ASCVD (HR, 1.85; 95% CI, 1.59-2.16), heart failure (HR, 4.40; 95% CI, 3.67-5.28), CKD (HR, 1.68; 95% CI, 1.41-2.01),all-cause mortality (HR, 2.91; 95% CI, 2.53-3.34), and CVD mortality (HR, 3.75; 95% CI, 2.93-4.80) compared with those without incident AF.</p>
<p><strong>Conclusion: </strong>Patients with T2D who developed AF had significantly increased risks of developing subsequent adverse cardiovascular events, CKD, and mortality. Our data underscore the importance of strategies of AF prevention to reduce macro- and microvascular complications in patients with T2D.</p>
Academic Integrity of Students during the COVID-19 Pandemic: A Mixed Method Analysis
Authors: San Jose Ariel Epan 
Published: August 2022

This study explored the academic integrity of tertiary students during the pandemic. Sixty-six students and nine faculty members were participants in the study. Two adapted survey questionnaires and a validated researcher-made interview guide were used to obtain pertinent data. Quantitative results revealed that most students committed academic dishonesty; however, they considered those misconducts moderate cheating. Teachers observed that students committed cheating more than once; however, they only call students’ attention. Qualitative information showed that most students knew the importance of academic integrity; lack of time, procrastination, lack of comprehension, lack of study habits, having a job, low self-esteem, and having the desire to get better marks were the reasons why students committed academic misconduct. Students suggested that the academic institution needs to initiate innovations and implement stricter sanctions on those who committed academic misconduct. A pledge of academic honesty was developed for students to commit to academic integrity.
Impact of psoas muscle evaluation on clinical outcomes in patients undergoing left ventricular assist device implantation
Authors: Minol Jan-Philipp , Dalyanoglu Hannan , Yilmaz Esma , Dalyanoglu Ismail , Immohr Moritz Benjamin , Korbmacher Bernhard , Aissa Joel , Boeken Udo , Akhyari Payam , Lichtenberg Artur , Sugimura Yukiharu 
Published: August 2022

Aims
The measurement of muscle mass reflects the physical components of frailty, which might affect postoperative outcomes in patients undergoing left ventricular assist device (LVAD) implantation. The aim of this study was to investigate the relationship between preoperative skeletal muscle evaluation and clinical outcomes in patients undergoing LVAD implantation.

Methods
From January 2010 to December 2017, a total of 63 patients were enrolled in this single-centre study. A retrospective analysis of preoperative abdominal computed tomography (CT) for psoas muscle index (PSMI) and Hounsfield-Units of the Psoas Muscle (PSHU) at the level of the mid-L4 vertebra was performed.

Results
Sixty-three patients (male; n = 49, 78%), with a mean age of 58.0 ± 11.8 years, were treated with LVAD due to dilated (32%) or ischemic cardiomyopathy (68%). Among them, 43 patients (68.3%) were categorized in the Interagency Registry for Mechanically Assisted Circulatory Support profile I. The survival rate was 73.0% at 30 days and 44.4% at 1 year. Receiver-operating characteristic (ROC) curve analyses revealed that PSMI was a significant numeric predictor of 1-year mortality (P = 0.04). In contrast, PSHU displayed a significant predictive potential for pericardial effusion (P = 0.03) and respiratory insufficiency (P = 0.01). In addition, comparative ROC curve analysis revealed no significant difference in the predictive potential of PSMI and PSHU.

Conclusion
Preoperative PSMI might be a predictor of 1-year mortality in patients undergoing LVAD implantation. In contrast, the PSHU seemed to potentially assume postoperative adverse events in this study. Thus, the evaluation of the preoperative psoas muscle using CT appears to be promising.
Precision Machining Technology of Jewelry on CNC Machine Tool Based on Mathematical Modeling
Authors: Qian Nianhua , Zhou Ningrui 
Published: August 2022

Abstract
This article establishes the actual movement mathematical model of CNC machine tools for the precision processing of jewelry. Through analyzing the general geometric error analysis model of CNC machine tools with less than five axes and the method of solving precision CNC instructions, the operating principle of the CNC machine tools is studied. At the same time, we use a transformation matrix to express the relationship between the various moving bodies. The article abstracts the complex motion relationship between entities as the relationship between mathematical matrices. The experimental results show that the theoretical method proposed in this paper can increase the machining accuracy of the machine tool by more than 50%.
The Law of Large Numbers in Children’s Education
Authors: Luo Yuenian , Almasadeh Ali , Erkir Sarp 
Published: August 2022

Abstract
Based on the R language, the article designs two universal random simulation functions for the law of large numbers, LLN-mean and LLN-graph, used to calculate related variables and draw simulation graphs. At the same time, the law of large numbers is applied to children’s education. At the same time, through correlation or correlation analysis, we can find the leading internal factors and highly correlated external factors of children’s educational activities. This provides technical support for educational decision-making, educational management, and educational research. The study results found that the law of large numbers has a good test effect on the influencing factors of children’s educational activities.
Data structure simulation for the reform of the teaching process of university computer courses
Authors: Ma Guofeng , Guo Qiongqiong , Alshalabi Riyad 
Published: August 2022

Abstract
Initially we applied the same data structure to grid generation, with further research, we found that the overall calculation efficiency of such a design is not high, and it is difficult to maintain. Finally, we designed different data structures based on the different characteristics of the two parts, in the grid generation, more consideration is given to flexibility and maintainability, a method to determine the flux function through the boundary of a triangular mesh is given. This method first obtains the two-dimensional Euler equations in the normal direction of the boundary of the control volume element, in the system of projection equations, the flux along the tangent to the boundary can be regarded as passive convection, therefore, the one-dimensional Riemann problem solver can be directly used to calculate the flux function passing through the boundary of the triangular control unit. This method under various flow conditions, including supersonic pipe flow and subsonic isentropic flow with strong shock waves, all have high precision and good stability.