Computational approach

计算方法
  • 文章类型: Published Erratum
    [这修正了文章DOI:10.3389/fmolb.202.857320。].
    [This corrects the article DOI: 10.3389/fmolb.2022.857320.].
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  • 文章类型: Editorial
    暂无摘要。
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  • 文章类型: Journal Article
    疟疾控制可以显著受益于定量测量传播强度的整体和精确方法,这需要纳入时空变化的风险因素。在这项研究中,我们进行了系统的调查,以时空网络的观点来表征疟疾的传播强度,其中节点捕获由优势媒介物种产生的局部传输强度,人口密度,和土地覆盖,和边缘描述了跨区域的人类流动模式。推断的网络使我们能够从可用的经验观察中准确评估随时间和空间的传输强度。我们的研究重点是柬埔寨疟疾严重地区。使用我们的传播网络确定的疟疾传播强度在质量和数量上都揭示了其季节和地理特征:雨季的风险增加,旱季的风险减少;偏远和人口稀少的地区通常比其他地区表现出更高的传播强度。我们的研究结果表明:人类的流动性(例如,在种植/收获季节),环境(例如,temperature),和接触风险(人类和媒介发生的共存)在时空上不同程度地导致疟疾传播;这些影响因素与由此产生的疟疾传播风险之间的定量关系可以在正确的地点和时间为基于证据的量身定制的反应提供信息。
    Malaria control can significantly benefit from a holistic and precise way of quantitatively measuring the transmission intensity, which needs to incorporate spatiotemporally varying risk factors. In this study, we conduct a systematic investigation to characterize malaria transmission intensity by taking a spatiotemporal network perspective, where nodes capture the local transmission intensities resulting from dominant vector species, the population density, and land cover, and edges describe the cross-region human mobility patterns. The inferred network enables us to accurately assess the transmission intensity over time and space from available empirical observations. Our study focuses on malaria-severe districts in Cambodia. The malaria transmission intensities determined using our transmission network reveal both qualitatively and quantitatively their seasonal and geographical characteristics: the risks increase in the rainy season and decrease in the dry season; remote and sparsely populated areas generally show higher transmission intensities than other areas. Our findings suggest that: the human mobility (e.g., in planting/harvest seasons), environment (e.g., temperature), and contact risk (coexistences of human and vector occurrence) contribute to malaria transmission in spatiotemporally varying degrees; quantitative relationships between these influential factors and the resulting malaria transmission risk can inform evidence-based tailor-made responses at the right locations and times.
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  • 文章类型: Journal Article
    UNASSIGNED:帕金森病(PD)是一种常见的与年龄相关的慢性神经退行性疾病。目前没有负担得起的,有效,和较少侵入性的PD诊断测试。血液和基于血液的基因转录物中的代谢物谱分析被认为是诊断PD的理想方法。
    未经批准:在这项研究中,目的是通过分析PD患者样本的微阵列基因表达数据,确定PD的潜在诊断生物标志物.
    未经批准:一种计算方法,即,加权基因共表达网络分析(WGCNA)用于构建共表达基因网络,并从GSE99039数据集中鉴定与PD高度相关的关键模块。进行最小绝对收缩和选择算子(LASSO)回归分析以鉴定与PD强关联的关键模块中的中心基因。然后将选择的hub基因用于构建基于logistic回归分析的诊断模型,和受试者工作特征(ROC)曲线用于使用GSE99039数据集评估模型的功效。最后,使用逆转录聚合酶链反应(RT-PCR)来验证hub基因。
    未经评估:WGCNA确定了与炎症和免疫反应相关的两个关键模块。七个枢纽基因,从两个模块中识别出LILRB1、LSP1、SIPA1、SLC15A3、MBOAT7、RNF24和TLE3,并用于构建诊断模型。ROC分析表明,该诊断模型在训练和测试数据集上对PD具有良好的诊断性能。RT-PCR实验结果表明,七个hub基因中LILRB1,LSP1和MBOAT7的mRNA表达存在显着差异。
    未经证实:7基因组(LILRB1、LSP1、SIPA1、SLC15A3、MBOAT7、RNF24和TLE3)将作为PD的潜在诊断特征。
    UNASSIGNED: Parkinson\'s disease (PD) is a common age-related chronic neurodegenerative disease. There is currently no affordable, effective, and less invasive test for PD diagnosis. Metabolite profiling in blood and blood-based gene transcripts is thought to be an ideal method for diagnosing PD.
    UNASSIGNED: In this study, the objective is to identify the potential diagnostic biomarkers of PD by analyzing microarray gene expression data of samples from PD patients.
    UNASSIGNED: A computational approach, namely, Weighted Gene Co-expression Network Analysis (WGCNA) was used to construct co-expression gene networks and identify the key modules that were highly correlated with PD from the GSE99039 dataset. The Least Absolute Shrinkage and Selection Operator (LASSO) regression analysis was performed to identify the hub genes in the key modules with strong association with PD. The selected hub genes were then used to construct a diagnostic model based on logistic regression analysis, and the Receiver Operating Characteristic (ROC) curves were used to evaluate the efficacy of the model using the GSE99039 dataset. Finally, Reverse Transcription-Polymerase Chain Reaction (RT-PCR) was used to validate the hub genes.
    UNASSIGNED: WGCNA identified two key modules associated with inflammation and immune response. Seven hub genes, LILRB1, LSP1, SIPA1, SLC15A3, MBOAT7, RNF24, and TLE3 were identified from the two modules and used to construct diagnostic models. ROC analysis showed that the diagnostic model had a good diagnostic performance for PD in the training and testing datasets. Results of the RT-PCR experiments showed that there were significant differences in the mRNA expression of LILRB1, LSP1, and MBOAT7 among the seven hub genes.
    UNASSIGNED: The 7-gene panel (LILRB1, LSP1, SIPA1, SLC15A3, MBOAT7, RNF24, and TLE3) will serve as a potential diagnostic signature for PD.
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  • 文章类型: Journal Article
    中国本地地名词典长期以来一直被学者广泛用于调查本地产品,文化,经济,还有更多.面对当今大规模的数字化资源,研究人员可以以新颖的方式探索历史文本。在本文中,我们提出了一种计算方法,以便对嵌入中国地方地名词典的植物知识进行大规模定量分析。我们根据记录中的出现情况选择典型的水稻品种,解释他们的共同特征,并利用数据聚类算法研究品种间的内在联系。我们对江苏省8个世纪以来的水稻品种记录数据集进行了案例研究,中国。我们发现,尽管在江苏省种植早稻是普遍的做法,当地稻农更关心颜色,质量,和使用品种比他们的播种时间。此外,并非所有记录中经常提到的水稻品种都是当地植物。从其他省份或国家进口的植物也因其良好的质量和特殊的特点而被高度记录。我们的研究为历史研究提供了实用的指导和参考,也为现代农业提供了有用的线索。
    Chinese local gazetteers have long been widely used by scholars to investigate the local products, culture, economy, and much more. Confronted with large-scale digitized resources nowadays, researchers can explore historical texts in a novel way. In this paper, we propose a computational approach in order to perform large-scale quantitative analysis of plant knowledge embedded in Chinese local gazetteers. We select the typical rice cultivars by their occurrences in the records, interpret their common features, and leverage the data clustering algorithm to investigate the inner connections among cultivars. We conduct a case study on a dataset of records of rice cultivars over 8 centuries in Jiangsu Province, China. We find that although planting early-season rice in Jiangsu province was the common practice, the local rice farmers cared more about the color, quality, and uses of cultivars than their sowing time. In addition, not all the rice varieties mentioned frequently in records are local plants. Plants imported from other provinces or countries were also highly recorded because of their good quality and special characteristics. Our study offers a practical guide and reference to history study as well as useful clues for modern agriculture.
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  • 文章类型: Journal Article
    空间转录组学技术的发展使遗传研究从单细胞数据水平转变为二维空间坐标系,促进了不同环境和器官中各种细胞亚群组成和功能的研究。这些空间转录组学技术产生的大规模数据,其中包含空间基因表达信息,引起了对空间分辨方法的需求,以满足计算和生物数据解释的要求。这些要求包括处理数据的爆炸性增长,以确定细胞水平和基因水平的表达,纠正内部批处理效果和表达式丢失,以提高数据质量,在单细胞和全组织层面进行有效的解释和深入的知识挖掘,并进行多组学集成分析,为深入了解生物过程提供可扩展的框架。然而,为满足这些要求而专门为空间转录组学技术设计的算法仍处于起步阶段。这里,我们根据相应的问题和挑战回顾了这些问题的计算方法,并对算法开发提出前瞻性见解。
    The development of spatial transcriptomics (ST) technologies has transformed genetic research from a single-cell data level to a two-dimensional spatial coordinate system and facilitated the study of the composition and function of various cell subsets in different environments and organs. The large-scale data generated by these ST technologies, which contain spatial gene expression information, have elicited the need for spatially resolved approaches to meet the requirements of computational and biological data interpretation. These requirements include dealing with the explosive growth of data to determine the cell-level and gene-level expression, correcting the inner batch effect and loss of expression to improve the data quality, conducting efficient interpretation and in-depth knowledge mining both at the single-cell and tissue-wide levels, and conducting multi-omics integration analysis to provide an extensible framework toward the in-depth understanding of biological processes. However, algorithms designed specifically for ST technologies to meet these requirements are still in their infancy. Here, we review computational approaches to these problems in light of corresponding issues and challenges, and present forward-looking insights into algorithm development.
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  • 文章类型: Journal Article
    胃癌(GC)是最常见的恶性肿瘤之一,在全球癌症死亡率中排名第三。虽然,在胃癌的诊断和治疗方面取得了很多进步,目前仍缺乏理想的胃癌诊断和治疗的生物标志物。由于预后不良,存活率没有多大提高。环状RNA(circularRNAs)是具有共价闭环结构的单链RNA,不具有5'-3'极性和3'polyA尾巴。由于它们的圆形结构,circRNAs比线性RNAs更稳定。以前的研究发现circRNAs参与了几个生物过程,如细胞周期,扩散,凋亡,自噬,不同癌症的迁移和侵袭,并参与一些分子机制,包括海绵微小RNA(miRNA),蛋白质翻译和与RNA结合蛋白的结合。一些研究报道circRNAs在不同类型癌症的发生和发展中起着至关重要的作用。虽然,一些研究报道了几种circRNAs在胃癌中,在寻找胃癌诊断和治疗的新生物标志物方面还需要更多的研究。这里,我们使用从5个成对的GC样本中收集的下一代测序(NGS)数据,调查了GC的潜在circRNA生物标志物.在所有样品中鉴定了总共45,783个circRNAs,其中478个差异表达(DE)。对DEcircRNAs的宿主基因进行的基因本体论(GO)分析表明,一些基因在几个重要的生物过程中被富集,分子功能和细胞成分。京都基因和基因组百科全书(KEGG)途径分析显示,一些宿主基因富集在几种GC相关途径中。circRNA-miRNA-基因相互作用网络分析显示两个circCEACAM5和circCOL1A1与胃癌相关的miRNAs相互作用,它们的宿主基因也是GC的重要治疗和预后生物标志物。实验结果还验证了与邻近正常组织相比,这两种circRNAs在GC中是DE。总的来说,我们的研究结果表明,这两个circRNAcirCEACAM5和circCOL1A1可能是诊断和治疗GC的潜在生物标志物。
    Gastric cancer (GC) is one of the most common malignant tumors and ranks third in cancer mortality globally. Although, a lot of advancements have been made in diagnosis and treatment of gastric cancer, there is still lack of ideal biomarker for the diagnosis and treatment of gastric cancer. Due to the poor prognosis, the survival rate is not improved much. Circular RNAs (circRNAs) are single-stranded RNAs with a covalently closed loop structure that don\'t have the 5\'-3\' polarity and a 3\' polyA tail. Because of their circular structure, circRNAs are more stable than linear RNAs. Previous studies have found that circRNAs are involved in several biological processes like cell cycle, proliferation, apoptosis, autophagy, migration and invasion in different cancers, and participate in some molecular mechanisms including sponging microRNAs (miRNAs), protein translation and binding to RNA-binding proteins. Several studies have reported that circRNAs play crucial role in the occurrence and development of different types of cancers. Although, some studies have reported several circRNAs in gastric cancer, more studies are needed in searching new biomarkers for gastric cancer diagnosis and treatment. Here, we investigated potential circRNA biomarkers for GC using next-generation sequencing (NGS) data collected from 5 paired GC samples. A total of 45,783 circRNAs were identified in all samples and among them 478 were differentially expressed (DE). The gene ontology (GO) analysis of the host genes of the DE circRNAs showed that some genes were enriched in several important biological processes, molecular functions and cellular components. The Kyoto encyclopedia of genes and genomes (KEGG) pathway analysis revealed that some host genes were enriched in several GC related pathways. The circRNA-miRNA-gene interaction network analysis showed that two circRNAs circCEACAM5 and circCOL1A1 were interacted with gastric cancer related miRNAs, and their host genes were also the important therapeutic and prognostic biomarkers for GC. The experimental results also validated that these two circRNAs were DE in GC compared to adjacent normal tissues. Overall, our findings suggest that these two circRNAs circCEACAM5 and circCOL1A1 might be the potential biomarkers for the diagnosis and treatment of GC.
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  • 文章类型: Journal Article
    Ulcerative colitis is a common inflammatory bowel disease with a complex genetic and immune etiology. Immune infiltration plays a vital role in the development of ulcerative colitis. To explore potential biomarkers for ulcerative colitis and analyze characteristics of immune cell infiltration, we used bioinformatic analyses, including machine learning algorithms, cell type deconvolution methods, and pathway enrichment methods. In this study, we identified 216 differentially expressed mRNAs (DEMs), of which 153 were upregulated, and 63 were downregulated genes. DEMs were mainly enriched in infiltrating neutrophils and regulation of leukocyte migration. Moreover, eight candidate biomarkers, DPP10, MST1L, DPP10-AS1, CEP55, ACSL1, MGP, OLFM4, and SGK1, were identified. Of these candidate biomarkers, MST1L, OLFM4, and DPP10 were then validated in the GSE48958 dataset and were predicted to be strongly correlated with infiltrating immune cells of ulcerative colitis. The underlying mechanism of these key genes in the development of colitis was also predicted by gene set variation analysis. To further validate these biomarkers\' expression in ulcerative colitis, we determined mRNA levels of SGK1, CEP55, ACSL1, OLFM4, and DPP10 in lipopolysaccharides (LPS)-stimulated Raw264.7 cells by quantitative reverse transcription-polymerase chain reaction. We also examined SGK1, CEP55, ACSL1, OLFM4, DPP10, and MGP expression in the colon tissues of dextran sodium sulfate-induced colitis mice. Consistent with the predicted computational results, the mRNA levels of these candidate genes were markedly changed in LPS-stimulated Raw264.7 cells and inflamed colon tissues. Hence, our findings indicated that these critical genes may act as diagnostic biomarkers for ulcerative colitis and that differential immune infiltration cells may help illustrate the progression of ulcerative colitis.
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  • 文章类型: Journal Article
    数以百万计的实验动物被广泛用于评估医疗技术中人造纳米材料的毒理学或生物学效应。然而,近年来,动物意识已经增强,并成为一个值得争论的问题。目前,3Rs的原则(即,reduction,精致,和替换)的应用,以确保更道德的人道动物研究的应用。为了避免不道德的程序,替代动物试验的策略已被用来克服动物试验的缺点。本文提供了当前替代策略,以替代或减少在评估纳米毒性中使用实验动物。目前可用的替代方法包括体外和计算机模拟方法,这可以作为符合3R原则的成本效益高的方法。这些方法被视为非动物方法,并已在许多国家实施用于科学目的。与纳米毒性测定相关的体外实验涉及细胞培养测试和组织工程,而计算机模拟方法是指使用分子对接进行预测,分子动力学模拟,和定量结构-活性关系(QSAR)建模。常用的新的基于细胞的方法和计算方法有可能帮助减少使用实验动物进行纳米材料毒性评估。
    Millions of experimental animals are widely used in the assessment of toxicological or biological effects of manufactured nanomaterials in medical technology. However, the animal consciousness has increased and become an issue for debate in recent years. Currently, the principle of the 3Rs (i.e., reduction, refinement, and replacement) is applied to ensure the more ethical application of humane animal research. In order to avoid unethical procedures, the strategy of alternatives to animal testing has been employed to overcome the drawbacks of animal experiments. This article provides current alternative strategies to replace or reduce the use of experimental animals in the assessment of nanotoxicity. The currently available alternative methods include in vitro and in silico approaches, which can be used as cost-effective approaches to meet the principle of the 3Rs. These methods are regarded as non-animal approaches and have been implemented in many countries for scientific purposes. The in vitro experiments related to nanotoxicity assays involve cell culture testing and tissue engineering, while the in silico methods refer to prediction using molecular docking, molecular dynamics simulations, and quantitative structure-activity relationship (QSAR) modeling. The commonly used novel cell-based methods and computational approaches have the potential to help minimize the use of experimental animals for nanomaterial toxicity assessments.
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  • 文章类型: Journal Article
    Translational medicine describes a bench-to-bedside approach that eventually converts findings from basic scientific studies into real-world clinical research. It encompasses new treatments, advanced equipment, medical procedures, preventive and diagnostic approaches creating a bridge between basic studies and clinical research. Despite considerable investment in basic science, improvements in technology, and increased knowledge of the biology of human disease, translation of laboratory findings into substantial therapeutic progress has been slower than expected, and the return on investment has been limited in terms of clinical efficacy. In this review, we provide a fresh perspective on some experimental and computational approaches for translational medicine. We cover the analysis, visualization, and modeling of high-dimensional data, with a focus on single-cell technologies, sequence, and structure analysis. Current challenges, limitations, and future directions, with examples from cancer and fibrotic disease, will be discussed.
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