R programming

  • 文章类型: Journal Article
    硒蛋白P(SELENOP)作为一个关键的介质,将硒从肝脏分配到体内的其他组织。尽管其在硒代谢中的作用已确立,SELENOP在肝癌发展中的特定功能仍然是个谜。本研究旨在通过仔细检查SELENOP在肝细胞癌(HCC)中的表达与疾病特征的相关性,并研究与激素和脂质/甘油三酸酯代谢生物标志物的联系,以及其作为总体生存率和预测指标的潜力。缺氧。在372例肝癌患者中分析了SELENOPmRNA表达,这些患者来自癌症基因组图谱(TCGA),利用R编程中的统计方法和Python中的机器学习技术。SELENOP表达在HCC等级(p<0.000001)和种族群体(p=0.0246)之间显着变化,高年级和亚洲人的水平较低,分别。性别显著影响SELENOP表达(p<0.000001),与男性相比,女性表现出更低的表达改变。值得注意的是,Spearman相关性揭示了SELENOP与激素标志物的强正连接(AR,ESR1,THRB)和关键的脂质/甘油三酯代谢标志物(PPARA,APOC3、APOA5)。关于预后,SELENOP显示出与总生存期显著相关(p=0.0142),但只解释了有限比例的变异性(~10%)。机器学习表明其作为缺氧预测生物标志物的潜力,解释了大约18.89%的缺氧评分差异。未来的方向包括验证SELENOP在个性化肝癌治疗血清中的预后和诊断价值。将血清SELENOP水平与患者预后相关的大规模前瞻性研究至关重要,以及将它们与临床参数相结合,以提高预后准确性和量身定制的治疗策略。
    Selenoprotein P (SELENOP) acts as a crucial mediator, distributing selenium from the liver to other tissues within the body. Despite its established role in selenium metabolism, the specific functions of SELENOP in the development of liver cancer remain enigmatic. This study aims to unravel SELENOP\'s associations in hepatocellular carcinoma (HCC) by scrutinizing its expression in correlation with disease characteristics and investigating links to hormonal and lipid/triglyceride metabolism biomarkers as well as its potential as a prognosticator for overall survival and predictor of hypoxia. SELENOP mRNA expression was analyzed in 372 HCC patients sourced from The Cancer Genome Atlas (TCGA), utilizing statistical methodologies in R programming and machine learning techniques in Python. SELENOP expression significantly varied across HCC grades (p < 0.000001) and among racial groups (p = 0.0246), with lower levels in higher grades and Asian individuals, respectively. Gender significantly influenced SELENOP expression (p < 0.000001), with females showing lower altered expression compared to males. Notably, the Spearman correlation revealed strong positive connections of SELENOP with hormonal markers (AR, ESR1, THRB) and key lipid/triglyceride metabolism markers (PPARA, APOC3, APOA5). Regarding prognosis, SELENOP showed a significant association with overall survival (p = 0.0142) but explained only a limited proportion of variability (~10%). Machine learning suggested its potential as a predictive biomarker for hypoxia, explaining approximately 18.89% of the variance in hypoxia scores. Future directions include validating SELENOP\'s prognostic and diagnostic value in serum for personalized HCC treatment. Large-scale prospective studies correlating serum SELENOP levels with patient outcomes are essential, along with integrating them with clinical parameters for enhanced prognostic accuracy and tailored therapeutic strategies.
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  • 文章类型: Journal Article
    宫颈癌是影响全球女性的普遍妇科恶性肿瘤,通常与持续的人乳头瘤病毒感染有关。与宫颈癌相关的生物标志物,包括VEGF-A,VEGF-B,VEGF-C,VEGF-D,和VEGF-E,显示上调,并与血管生成和淋巴管生成有关。本研究旨在采用计算机内方法靶向酪氨酸激酶受体蛋白VEGFR-1,VEGFR-2和VEGFR-3,并鉴定血管内皮生长因子受体(VEGFR)的新型抑制剂。进行了一项全面的文献研究,确定了26种已建立的VEGFR-1,VEGFR-2和VEGFR-3受体蛋白抑制剂。具有高亲和力得分的化合物,包括PubChemID-25102847、369976和208908是从现有化合物中选择的,用于创建基于深度学习的模型。RD-Kit,深度学习算法,用于产生针对VEGFR-1、VEGFR-2和VEGFR-3靶标的4300万个化合物。对每个靶标的前10个分子进行分子对接研究以验证受体-配体结合亲和力。分子对接的结果表明,PubChemIDs-71465,645和11152946表现出很强的亲和力,将它们指定为最有效的分子。为了进一步调查他们的潜力,进行分子动力学模拟以评估构象稳定性,并且还对灌输相互作用进行了药效分析。
    Cervical cancer stands as a prevalent gynaecologic malignancy affecting women globally, often linked to persistent human papillomavirus infection. Biomarkers associated with cervical cancer, including VEGF-A, VEGF-B, VEGF-C, VEGF-D, and VEGF-E, show upregulation and are linked to angiogenesis and lymphangiogenesis. This research aims to employ in-silico methods to target tyrosine kinase receptor proteins-VEGFR-1, VEGFR-2, and VEGFR-3, and identify novel inhibitors for Vascular Endothelial Growth Factors receptors (VEGFRs). A comprehensive literary study was conducted which identified 26 established inhibitors for VEGFR-1, VEGFR-2, and VEGFR-3 receptor proteins. Compounds with high-affinity scores, including PubChem ID-25102847, 369976, and 208908 were chosen from pre-existing compounds for creating Deep Learning-based models. RD-Kit, a Deep learning algorithm, was used to generate 43 million compounds for VEGFR-1, VEGFR-2, and VEGFR-3 targets. Molecular docking studies were conducted on the top 10 molecules for each target to validate the receptor-ligand binding affinity. The results of Molecular Docking indicated that PubChem IDs-71465,645 and 11152946 exhibited strong affinity, designating them as the most efficient molecules. To further investigate their potential, a Molecular Dynamics Simulation was performed to assess conformational stability, and a pharmacophore analysis was also conducted for indoctrinating interactions.
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  • 文章类型: Journal Article
    本教程是为熟悉R编程语言的语音科学家设计的,他们希望在R中构建实验接口。我们首先讨论在R中构建实验接口的一些好处-包括R的现有语音数据分析工具。平台独立性,适合基于Web的测试,以及R是开源的事实。我们解释了R中反应式编程的基本概念,我们通过详细描述两个样本实验的发展来应用这些原理。这些实验中的第一个包括语音制作任务,其中要求参与者阅读具有不同情绪的单词。第二个样本实验涉及语音感知任务,参与者聆听录制的演讲,并通过强制选择问题和信心等级来识别谈话者表达的情绪。在本教程中,我们推出了新的R包speechcollectr,它提供了唯一适合基于Web的语音数据收集的功能。该软件包通过提供常见任务的功能来简化语音实验所需的代码,例如记录参与者的同意,收集参与者的人口统计信息,录制音频,检查参与者的麦克风或耳机的充分性,并呈现音频刺激。最后,我们描述了远程语音数据收集的一些困难,随着解决方案,我们已经纳入到speechcollectr,以应对这些挑战。
    This tutorial is designed for speech scientists familiar with the R programming language who wish to construct experiment interfaces in R. We begin by discussing some of the benefits of building experiment interfaces in R-including R\'s existing tools for speech data analysis, platform independence, suitability for web-based testing, and the fact that R is open source. We explain basic concepts of reactive programming in R, and we apply these principles by detailing the development of two sample experiments. The first of these experiments comprises a speech production task in which participants are asked to read words with different emotions. The second sample experiment involves a speech perception task, in which participants listen to recorded speech and identify the emotion the talker expressed with forced-choice questions and confidence ratings. Throughout this tutorial, we introduce the new R package speechcollectr, which provides functions uniquely suited to web-based speech data collection. The package streamlines the code required for speech experiments by providing functions for common tasks like documenting participant consent, collecting participant demographic information, recording audio, checking the adequacy of a participant\'s microphone or headphones, and presenting audio stimuli. Finally, we describe some of the difficulties of remote speech data collection, along with the solutions we have incorporated into speechcollectr to meet these challenges.
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  • 文章类型: Journal Article
    开放科学技能对于生态学和进化生物学(EEB)的职业生涯越来越重要,因为公开提供数据和分析的努力变得越来越普遍。在EEB中学习核心概念时,学生也有望获得技能进行开放科学,为未来的职业生涯做准备。核心开放科学技能,如编程,数据共享,和促进再现性的实践可以与EEB的核心概念一起教授给本科生。然而,这些技能并不总是在生物学本科课程中教授,同时开发开放科学技能和学习EEB概念的主要挑战是与同时学习多个不同概念相关的高认知负荷。一个解决方案是为学生提供易于消化的,脚手架,以小插图和交互式教程的形式预先格式化的代码。这里,我们为EEB的本科生提供了六个开源教学教程。这些教程教授基本的生态概念,数据素养,编程(使用R软件),和使用公开可用数据集的分析技能,同时向学生介绍开放的科学概念和工具。跨越各种EEB主题和技能水平,这些教程为教育工作者整合开放科学工具提供了示例和资源,编程,将数据素养融入到本科EEB教学中。
    Open science skills are increasingly important for a career in ecology and evolutionary biology (EEB) as efforts to make data and analyses publicly available continue to become more commonplace. While learning core concepts in EEB, students are also expected to gain skills in conducting open science to prepare for future careers. Core open science skills like programming, data sharing, and practices that promote reproducibility can be taught to undergraduate students alongside core concepts in EEB. Yet, these skills are not always taught in biology undergraduate programs, and a major challenge in developing open science skills and learning EEB concepts simultaneously is the high cognitive load associated with learning multiple disparate concepts at the same time. One solution is to provide students with easily digestible, scaffolded, pre-formatted code in the form of vignettes and interactive tutorials. Here, we present six open source teaching tutorials for undergraduate students in EEB. These tutorials teach fundamental ecological concepts, data literacy, programming (using R software), and analysis skills using publicly available datasets while introducing students to open science concepts and tools. Spanning a variety of EEB topics and skill levels, these tutorials serve as examples and resources for educators to integrate open science tools, programming, and data literacy into teaching EEB at the undergraduate level.
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  • 文章类型: Journal Article
    随着高分辨率质谱的重大进步,从天然产物中获得的化学成分数据数量大幅增加。因此,从大量高分辨率质谱数据中快速有效地提取有价值的质谱信息具有至关重要的意义。本研究说明了金皮石斛生物碱和倍半萜组分代谢产物的靶向注释(D。nobile)通过整合内部数据库在小鼠血清中的水提取物,R编程,一个虚拟的代谢产品库,多边形质量缺陷过滤,和肯德里克质量缺陷策略。研究过程涉及最初建立生物碱和倍半萜组分的文库,并使用R编程模拟生物体内71个潜在的代谢反应,从而创建一个虚拟代谢产品数据库。随后,采用允许多边形质量缺陷过滤的虚拟代谢产品库,快速筛选血清中1705种生物碱的潜在代谢产物和3044种倍半萜的潜在代谢产物。此外,基于D.nobile的化学成分数据库和在线质谱数据库,95个化合物,包括生物碱,倍半萜,和内源性成分,被表征。最后,利用Kendrick质量缺陷分析结合已知生物碱和倍半萜靶向筛选209去甲基化,甲基化,和第一阶段代谢中的氧化产物,和146个葡萄糖醛酸化和谷胱甘肽缀合产物在II期代谢中。这项研究为快速准确地注释天然产物中的化学成分及其代谢产物提供了有价值的见解。
    With significant advancements in high-resolution mass spectrometry, there has been a substantial increase in the amount of chemical component data acquired from natural products. Therefore, the rapid and efficient extraction of valuable mass spectral information from large volumes of high-resolution mass spectrometry data holds crucial significance. This study illustrates a targeted annotation of the metabolic products of alkaloid and sesquiterpene components from Dendrobium nobile (D. nobile) aqueous extract in mice serum through the integration of an in-houses database, R programming, a virtual metabolic product library, polygonal mass defect filtering, and Kendrick mass defect strategies. The research process involved initially establishing a library of alkaloids and sesquiterpenes components and simulating 71 potential metabolic reactions within the organism using R programming, thus creating a virtual metabolic product database. Subsequently, employing the virtual metabolic product library allowed for polygonal mass defect filtering, rapidly screening 1705 potential metabolites of alkaloids and 3044 potential metabolites of sesquiterpenes in the serum. Furthermore, based on the chemical composition database of D. nobile and online mass spectrometry databases, 95 compounds, including alkaloids, sesquiterpenes, and endogenous components, were characterized. Finally, utilizing Kendrick mass defect analysis in conjunction with known alkaloids and sesquiterpenes targeted screening of 209 demethylation, methylation, and oxidation products in phase I metabolism, and 146 glucuronidation and glutathione conjugation products in phase II metabolism. This study provides valuable insights for the rapid and accurate annotation of chemical components and their metabolites in vivo within natural products.
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  • 文章类型: Journal Article
    背景:神经科学方法在历史上引发了创造力和艺术体验概念的变化,这可以通过注意到这些研究领域在全球趋势等变量方面的交集来揭示,方法论,研究对象,或新技术的应用;然而,这些神经科学方法仍然经常被认为是与艺术和人文科学分离的学科。在这种情况下,问题是,神经技术的历史在创造力和审美体验的交汇处提供了什么证据。
    方法:我们对发表在Scopus数据库中的多学科研究中的关键参数进行了长达一个世纪的文献计量分析。从1922年到2022年,基于PRISMA方法和高级数据分析技术的筛选技术被应用于3612个文档元数据。我们将算法和聚类过程应用于关键字和作者关系,对结果进行了图形表示。
    结果:根据分析,我们发现a)从注重个性的定量分析到注重领域的定性方法的转变,考虑到诸如艺术之类的话题,感知,美学和美丽;b)近年来,功能磁共振成像支持的神经解剖学的兴趣点已经转向基于机器学习和深度学习的脑电图技术和模型;c)研究方法中确定了四个主要集群:人文,创造性,神经美学和医学;d)神经美学集群是最核心和最相关的,在创造力和神经科学之间进行调解;e)神经美学和神经伦理学是新词中的两个,它们更好地表征了这种研究趋同将在未来几年面临的挑战。
    结论:通过纵向分析,我们证明了神经科学对艺术和人文科学主题方向的巨大影响。所呈现的观点显示了该领域如何得到巩固,并有助于将其定义为未来研究人员的巨大潜力的新机会。
    BACKGROUND: Neuroscientific approaches have historically triggered changes in the conception of creativity and artistic experience, which can be revealed by noting the intersection of these fields of study in terms of variables such as global trends, methodologies, objects of study, or application of new technologies; however, these neuroscientific approaches are still often considered as disciplines detached from the arts and humanities. In this light, the question arises as to what evidence the history of neurotechnologies provides at the intersection of creativity and aesthetic experience.
    METHODS: We conducted a century-long bibliometric analysis of key parameters in multidisciplinary studies published in the Scopus database. Screening techniques based on the PRISMA method and advanced data analysis techniques were applied to 3612 documents metadata from the years 1922 to 2022. We made graphical representations of the results applying algorithmic and clusterization processes to keywords and authors relationships.
    RESULTS: From the analyses, we found a) a shift from a personality-focus quantitative analysis to a field-focus qualitative approach, considering topics such as art, perception, aesthetics and beauty; b) The locus of interest in fMRI-supported neuroanatomy has been shifting toward EEG technologies and models based on machine learning and deep learning in recent years; c) four main clusters were identified in the study approaches: humanistic, creative, neuroaesthetic and medical; d) the neuroaesthetics cluster is the most central and relevant, mediating between creativity and neuroscience; e) neuroaesthetics and neuroethics are two of the neologism that better characterizes the challenges that this convergence of studies will have in the next years.
    CONCLUSIONS: Through a longitudinal analysis, we evidenced the great influence that neuroscience is having on the thematic direction of the arts and humanities. The perspective presented shows how this field is being consolidated and helps to define it as a new opportunity of great potential for future researchers.
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  • 文章类型: Journal Article
    目的:希望药剂师在整个职业生涯中进行快速准确的计算。要达到熟练的技能水平,学生药剂师需要充足和多样的机会来练习药物计算。然而,实践模式的创建对于教师来说可能是耗时和劳动密集型的。
    方法:我们使用统计分析编程语言R创建了一种有效的方法来生成现有计算问题的多种变体。作为为期11周的计算课程的一部分,与一组学生药剂师一起评估了该方法。
    结果:最初设置此过程可能具有挑战性。该方法能够生成每个计算问题的100多个变体。参加试点研究的学生药剂师发现该方法易于使用,有助于实践药物计算。
    结论:我们开发了一种有效的方法来生成现有计算问题的多种变体。这种方法可以用来创造更多样化和更具挑战性的实践模式,这可以帮助学生药剂师培养他们在未来职业生涯中执行准确计算所需的技能。
    Pharmacists are expected to perform quick and accurate calculations throughout their careers. To achieve a proficient skill level, student pharmacists need ample and varied opportunities to practice pharmaceutical calculations. However, the creation of practice modalities can be time-consuming and labor-intensive for instructors.
    We used the statistical analysis programming language R to create an efficient method to generate multiple variations of existing calculation questions. The method was evaluated with a group of student pharmacists as part of an 11-week calculations course.
    This process can be challenging to set up initially. The method was able to generate over 100 variations of each calculation question. The student pharmacists who participated in the pilot study found the method to be easy to use and helpful for practicing pharmaceutical calculations.
    We have developed an efficient method to generate multiple variations of existing calculation questions. This method can be used to create practice modalities that are more varied and challenging, which can help student pharmacists develop the skills they need to perform accurate calculations in their future careers.
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  • 文章类型: Journal Article
    流行病学研究问题通常集中在评估二元结果,然而,课程和科学文献并不总是为在这些情景中选择和计算适当的关联度量提供明确的指导或示例。报告不适当的措施可能导致误导性的统计结论。我们提供了一个动手教程,其中包括用开源统计编程语言(R)编写的带注释的代码,向读者展示如何应用,比较,并了解用于估计风险或患病率比率(或差异)的四种方法,而不是呈现赔率比。我们将提供有关何时使用每种方法的指导,讨论每种方法的优点和局限性,并比较它们获得的结果。最终,我们的目标是帮助学员,公共卫生研究人员,和跨学科的专业人士开发了这些方法的直觉,并授权他们在自己的研究中实施和解释这些方法。
    Epidemiologic research questions often focus on evaluating binary outcomes, yet curricula and scientific literature do not always provide clear guidance or examples on selecting and calculating an appropriate measure of association in these scenarios. Reporting inappropriate measures may lead to misleading statistical conclusions. We present a hands-on tutorial that includes annotated code written in an open-source statistical programming language (R) showing readers how to apply, compare, and understand four methods used to estimate a risk or prevalence ratio (or difference), rather than presenting an odds ratio. We will provide guidance on when to use each method, discussing the strengths and limitations of each approach, and compare the results obtained across them. Ultimately, we aim to help trainees, public health researchers, and interdisciplinary professionals develop an intuition for these methods and empower them to implement and interpret these methods in their own research.
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  • 文章类型: Journal Article
    胶质母细胞瘤(GBM)是WHOIV级肿瘤,能见度低,合并症的高风险,并表现出有限的治疗选择。二流神经胶质瘤的表面修复最初被归类为强制性或选择性。最近对个性化医学的兴趣促使研究转向基于生物标志物分层的个性化疾病治疗。已经研究了GBM生物标志物在预后分层中的潜在效用,推动靶向治疗和定制治疗的发展。由于在神经胶质瘤发生中具有明确功能的特定EGFRvIII突变变异的可用性,最近的研究表明,EGFR有可能成为GBM的预后因素,而其他人则没有显示EGFR和生存率之间的临床联系。具有较高亲和力评分的预先存在的药物拉帕替尼(PubChemID:208,908)用于虚拟筛选。因此,当前的研究揭示了一种新筛选的化学物质(PubChemCID:59,671,768),其亲和力高于先前已知的分子。当两种化合物比较时,前者的重新排名得分最低。使用分子动力学模拟研究了虚拟筛选的化学物质和已建立的化合物的时间分辨特征。两种化合物是等效的,根据ADMET的研究。该报告暗示,虚拟筛选的化学物质可能是一种有前途的胶质母细胞瘤治疗。
    Glioblastoma (GBM) is a WHO Grade IV tumor with poor visibility, a high risk of comorbidity, and exhibit limited treatment options. Resurfacing from second-rate glioma was originally classified as either mandatory or optional. Recent interest in personalized medicine has motivated research toward biomarker stratification-based individualized illness therapy. GBM biomarkers have been investigated for their potential utility in prognostic stratification, driving the development of targeted therapy and customizing therapeutic treatment. Due to the availability of a specific EGFRvIII mutational variation with a clear function in glioma-genesis, recent research suggests that EGFR has the potential to be a prognostic factor in GBM, while others have shown no clinical link between EGFR and survival. The pre-existing pharmaceutical lapatinib (PubChem ID: 208,908) with a higher affinity score is used for virtual screening. As a result, the current study revealed a newly screened chemical (PubChem CID: 59,671,768) with a higher affinity than the previously known molecule. When the two compounds are compared, the former has the lowest re-rank score. The time-resolved features of a virtually screened chemical and an established compound were investigated using molecular dynamics simulation. Both compounds are equivalent, according to the ADMET study. This report implies that the virtual screened chemical could be a promising Glioblastoma therapy.
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  • 文章类型: Journal Article
    猴痘病毒在非洲流行。然而,自2022年5月以来,该病毒已在全球范围内传播,现已在109个国家/地区(截至2022年9月22日)得到确认。因此,需要紧急调查确诊病例的爆发模式和病毒感染的证据。这项研究调查了猴痘在109个国家的传播情况,包括15个亚太国家,通过检查案件数量,感染的症状,以及诊断和死亡之间的时间。
    The monkeypox virus is endemic in Africa. However, the virus has spread worldwide since May 2022, and it has now been confirmed in 109 countries (as of September 22, 2022). Thus, an urgent investigation of the outbreak patterns of confirmed cases and evidence of viral infection is needed. This study investigated the spread of monkeypox in 109 countries, including 15 Asian-Pacific countries, by examining the number of cases, symptoms of infection, and the period between diagnosis and death.
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