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2021 11th International Conference on Bioscience, Biochemistry and Bioinformatics最新文献

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Using Genetic Algorithms to Model Microbiome Coevolutionary Dynamics and Dysbiosis Due to Environmental and Pharmaceutical Stressors 利用遗传算法模拟微生物组共同进化动力学和生态失调由于环境和药物的压力
Mithra V. Karamchedu
Several studies have established the critical role of microbiome in shaping human health. Steady state balance, a microbial homeostasis, of disparate microbial colonies is the outcome of coevolution and affects the continued health, chronic disease or susceptibility to ill-health. Environmental stressors, including infection and pharmaceuticals, can trigger imbalance and maladaptation of these microbial colonies. Microbial populations of related species are often associated with a specific biological outcome due to a shared biological function (clustered signal). Similarly, diverse interdependent species are also associated with a specific biological outcome (dense signal). When either deliberate or inadvertent influences disrupt the stable relative population of microbes, understanding the dynamics of coevolution in the altered state is important if we are to ultimately understand the longer-term effects of such a disruption. This study attempts to create a generalized approach to model the coevolutionary dynamics of the microbiome due externally triggered disruptions. Preliminary results suggest that the model is successful in simulating stable relative compositions and evaluating pair-wise competition/cooperation scores for microbiome species. The results support the prospect of simulating and predicting the prevalence of Inflammatory Bowel Disease (IBD) as a result of co-evolutionary dynamics. The results further support the possibility of using such a computational approach to model antibiotic induced disruptions to the microbiome.
一些研究已经确立了微生物组在塑造人类健康方面的关键作用。稳态平衡是不同微生物菌落的微生物稳态,是共同进化的结果,影响持续健康、慢性疾病或对不健康的易感性。环境压力因素,包括感染和药物,可以引发这些微生物菌落的不平衡和不适应。由于共同的生物学功能(聚类信号),相关物种的微生物种群往往与特定的生物学结果相关联。同样,不同的相互依赖的物种也与特定的生物学结果(密集信号)有关。当有意或无意的影响破坏了相对稳定的微生物种群时,如果我们要最终了解这种破坏的长期影响,了解这种改变状态下的共同进化动力学是很重要的。本研究试图创建一种通用的方法来模拟微生物组由于外部触发的破坏的共同进化动力学。初步结果表明,该模型成功地模拟了稳定的相对组成,并评估了微生物组物种的成对竞争/合作得分。该结果支持模拟和预测炎症性肠病(IBD)的流行作为共同进化动力学的结果的前景。结果进一步支持了使用这种计算方法来模拟抗生素引起的微生物组破坏的可能性。
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引用次数: 0
Constructing Crystalline Molecular Dipolar Rotor Arrays with Ultra-Large Dipole Moments 构建具有超大偶极矩的晶体分子偶极转子阵列
Tong Gao
We aim to synthesize a series of dipolar crystalline molecular rotors with substituted benzene rotators in an extended structure. By taking advantage of the porosity of metal organic frameworks (MOFs), we can fine-tune a large cavity for the dynamic rotator to rotate efficiently in the crystalline phase. This would not only allow one to further investigate the dipole-dipole interactions in these dipolar rotors but also their dynamics at various temperatures. We presume that the ideal MOF pillars with ultra-large dipole moment will allow one to investigate the ferroelectric or antiferroelectric properties even at room temperature. In addition, dynamic study of the rotors under an applied AC field will also be studied in order to further investigate any leads regarding externally controlled rotations in the crystalline phase.
我们的目的是合成一系列具有扩展结构的取代苯旋转体的偶极晶体分子转子。利用金属有机骨架(mof)的多孔性,我们可以微调一个大的空腔,使动态旋转器在晶体相中有效地旋转。这不仅使人们能够进一步研究这些偶极转子中的偶极-偶极相互作用,而且还可以研究它们在不同温度下的动力学。我们假设理想的具有超大偶极矩的MOF柱将允许人们在室温下研究铁电或反铁电性质。此外,为了进一步研究有关晶体相外部控制旋转的任何线索,还将研究转子在外加交流场下的动态研究。
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引用次数: 0
Evaluation of Upper Limb Muscle Function Based on Muscle Activation Sequence 基于肌肉激活序列的上肢肌肉功能评价
Zihan Wang, Yingfei Sun, Jiankang Wu, Kunkun Zhao
The assessment of muscle function is an important part of the rehabilitation of stroke patients. The study proposed two indexes, muscle activation sequence (MAS) and muscle activation duration (MAD), to evaluate the muscle function and the damage level of patients. EMG signals were collected from 6 upper limb muscles of 10 stroke and 10 healthy subjects. Then, the EMG signals were processed by the TKE operator. The MAS and MAD were obtained from each muscle of each subject. Results of the MAS and MAD between healthy and stroke subjects showed that MAS and MAD are more sensitive in evaluating the muscle function compared to other features. The study would promote the evaluation process of muscle function and assist in motor rehabilitation.
肌肉功能评估是脑卒中患者康复治疗的重要内容。本研究提出肌肉激活序列(muscle activation sequence, MAS)和肌肉激活持续时间(muscle activation duration, MAD)两个指标来评价患者的肌肉功能和损伤程度。收集10例脑卒中患者和10例健康人上肢6块肌肉肌电图信号。然后,肌电信号经TKE算子处理。在每个受试者的每块肌肉上获取MAS和MAD。健康和脑卒中患者的MAS和MAD结果表明,MAS和MAD在评估肌肉功能方面比其他特征更敏感。该研究将促进肌肉功能的评估过程,并有助于运动康复。
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引用次数: 0
Motor Imagery EEG Classification Method Based on Adaptive Decision Surface of LDA Classifier 基于LDA分类器自适应决策面的运动意象脑电分类方法
Banghua Yang, Du Li, Baiheng Ma, Xuelin Gu, Dewen Kong
In order to solve the problem of reduced classification accuracy caused by the different spatial features of EEG motor imagery signals between the same subjects on different days, this paper proposes an EEG feature extraction and recognition method based on common spatial pattern (CSP) and decision surface adaptive linear discriminant analysis (DSALDA). The decision surface threshold of the linear discriminant analysis (LDA) classifier was updated by saving the CSP spatial feature of the different day's test data, and use parameters to control the proportion of CSP spatial features between the training data set and the different day’ test data set. The experiment collected EEG data of 24 subjects, each subject collected data on different days. The results show that the average accuracy of this method is improved by 6.35% compared with the CSP-LDA method, which effectively improves the accuracy and stability of the different day's motor imagery EEG classification. It has created conditions for the wide application of motor imagery brain-computer interface (BCI) system in the field of rehabilitation.
为了解决同一被试在不同时间段的脑电运动图像信号空间特征不同导致分类准确率降低的问题,本文提出了一种基于共同空间模式(CSP)和决策面自适应线性判别分析(DSALDA)的脑电特征提取与识别方法。通过保存不同日期测试数据的CSP空间特征来更新线性判别分析(LDA)分类器的决策面阈值,并利用参数控制CSP空间特征在训练数据集和不同日期测试数据集之间的比例。实验收集了24名受试者的脑电图数据,每个受试者在不同的日期收集数据。结果表明,与CSP-LDA方法相比,该方法的平均准确率提高了6.35%,有效提高了不同时段运动意象脑电分类的准确性和稳定性。为运动图像脑机接口(BCI)系统在康复领域的广泛应用创造了条件。
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引用次数: 1
High CD34 Expression Level Associated with Prolonged Liver and Stomach Cancer Survival CD34高表达水平与肝癌和胃癌生存期延长相关
Xin Sun
CD34 is a transmembrane phosphoglycoprotein that shows expression on early hematopoietic and vascular-associated tissues. Although tumor tissues usually possess upregulated CD34, little is known about this protein's exact function during the process of tumor development. Here, we carried out this study to find possible associations between tumor survival and the overexpressed CD34. We focused our data on patients with adenomas (and adenocarcinomas) occurring in liver or stomach, as these cancer types are common worldwide and contain a large amount of available patient statistics recorded in the TCGA database and we found that CD34 was among the group of proteins under significant upregulation in liver and stomach cancer. However, after constructing the survival curves comparing patient survival of high-level CD34 expression with low-level CD34 expression through a period of time, we observed that high CD34 expression level actually associates with a better tumor survival. This counter-intuitive relation between CD34 and patient survival rate implies a complicated cause-effect relationship behind, which suggests that the idea of designating CD34 as the target to develop therapies for treating cancer still needs more evaluations.
CD34是一种跨膜磷酸糖蛋白,在早期造血和血管相关组织中表达。尽管肿瘤组织通常具有上调的CD34,但对该蛋白在肿瘤发生过程中的确切功能知之甚少。在这里,我们开展了这项研究,以发现肿瘤存活与过表达CD34之间可能的关联。我们将数据集中于肝或胃腺瘤(和腺癌)患者,因为这些癌症类型在世界范围内很常见,并且在TCGA数据库中记录了大量可用的患者统计数据,我们发现CD34是肝癌和胃癌中显著上调的一组蛋白之一。然而,通过构建一段时间内高水平CD34表达与低水平CD34表达患者的生存曲线,我们发现高水平CD34表达实际上与更好的肿瘤生存相关。CD34与患者生存率之间的这种反直觉关系暗示了背后复杂的因果关系,这表明将CD34作为靶点来开发治疗癌症的疗法的想法仍需要更多的评估。
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引用次数: 0
The Progress of IPS Therapy on the Heart and Neural Disease IPS治疗心脏和神经系统疾病的研究进展
Chang-Quan Sun
Heart and brain (AD) diseases are easier to happen to people who are aged. Traditional therapies are not able to cure the disease and the stem cell is chosen to be applied as new therapy. However, there are many moral problems related to stem cells, so another typical therapy is developed, which is IPS therapy. IPS therapy is mainly about inducing stem cells from the somatic cells of patients then deriving them into typical cells we need to treat diseases, which avoid many moral problems. In this article, IPS therapy on treating heart disease on different species and its application on AD are summarized. Though there are disadvantages of IPS therapy, IPS therapy is promising based on the current progress.
老年人群更容易患心脏和大脑疾病。传统的治疗方法无法治愈这种疾病,因此选择了干细胞作为新的治疗方法。但是,由于干细胞存在许多道德问题,因此开发了另一种典型的治疗方法,即IPS治疗。IPS疗法主要是从患者的体细胞中诱导干细胞,然后将其培育成我们治疗疾病所需的典型细胞,从而避免了许多道德问题。本文就IPS治疗不同种类心脏疾病及其在AD中的应用作一综述。虽然IPS治疗有缺点,但从目前的进展来看,IPS治疗是有前景的。
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引用次数: 0
Machine Learning Facilitates Imputation of Gene Expression Levels across Multiple Environments 机器学习促进了跨多种环境的基因表达水平的Imputation
Ziang Xu, H. Qi
Gene expression level reflects the active biological processes in a live cell. It is of great importance to quantify gene expression levels across multiple environments. However, for technical reasons, the expression level in some environments/strains of species may not be measured correctly because of sequence diversity or technical reasons in mRNA-seq, qPCR, or microarray. Therefore, it would be highly beneficial if we could infer the missing expression level from existing data, and this process of filling in such missing values is called imputation. Imputation is a very active field in machine learning, and many tech companies use imputation to infer customer preferences for products/movies, etc. Here we apply multiple state-of-the-art imputation methods and compare their performance in predicting gene expression levels across multiple environments. Using a multi-environment expression dataset of Saccharomyces cerevisiae across 13 environments, we randomly removed 5%, 20%, 50%, and 75% of the expression level from the dataset and applied various imputation methods to predict the missing values and use root mean squared error for comparison of model performances. We found that SVD works the best among the five methods, followed by KNN with five nearest neighbors and KNN with two nearest neighbors. In contrast, univariate mean and univariate median works the worse and perform similarly. Although the latter two univariate methods were very commonly used in practice, our result highlights the benefit of using machine learning methods for imputation for better predictions of expression levels across environments.
基因表达水平反映了活细胞中活跃的生物过程。在多种环境中,基因表达水平的定量研究具有重要意义。然而,由于技术原因,在mRNA-seq、qPCR或微阵列中,由于序列多样性或技术原因,可能无法正确测量某些环境/菌株的物种表达水平。因此,如果我们能从现有的数据中推断出缺失的表达水平,这将是非常有益的,这个填补缺失值的过程被称为imputation。Imputation是机器学习中一个非常活跃的领域,许多科技公司使用Imputation来推断客户对产品/电影等的偏好。在这里,我们应用了多种最先进的计算方法,并比较了它们在预测多种环境下基因表达水平方面的表现。利用酿酒酵母在13个环境中的多环境表达数据集,我们从数据集中随机去除5%、20%、50%和75%的表达水平,并应用各种imputation方法预测缺失值,并使用均方根误差对模型性能进行比较。我们发现,在5种方法中,SVD的效果最好,其次是5近邻KNN和2近邻KNN。相比之下,单变量均值和单变量中位数效果更差,表现相似。尽管后两种单变量方法在实践中非常常用,但我们的结果强调了使用机器学习方法进行imputation的好处,可以更好地预测不同环境下的表达水平。
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引用次数: 0
Rapid Identification of Potential Inhibitors of Bruton's Tyrosine Kinase (BTK) by Structure-based Virtual Screening 基于结构的虚拟筛选快速鉴定布鲁顿酪氨酸激酶(BTK)潜在抑制剂
Yuhao Wang
Bruton's Tyrosine Kinase (BTK) is one of the non-receptor intracellular kinases expressing mainly in B cells and it regulates cell proliferation, apoptosis, and several cellular activities. Abnormal BTK activation is known to play a pivotal role in B cell malignant tumors. Herein, we used computer-aided drug design (CADD) to discover potential inhibitors against the BTK protein. By first acquiring ligand resources from the SPECS library, the ligand preparation and protein preparation on schrödinger were performed. Then the multi-stage docking from high-throughput virtual screening to extra precision were processed through virtual screening workflow. Subsequently, the interaction between the top four satisfied compounds with high docking scores and the BTK protein were analyzed based on results of multi-stage docking and comprehensive details were also discussed accordingly. This paper might lay a foundation for the following study in designing small molecules targeted B cell malignant tumors.
布鲁顿酪氨酸激酶(Bruton's Tyrosine Kinase, BTK)是一种主要表达于B细胞的非受体胞内激酶,它调节细胞增殖、凋亡和多种细胞活性。已知异常BTK激活在B细胞恶性肿瘤中起关键作用。在此,我们使用计算机辅助药物设计(CADD)来发现针对BTK蛋白的潜在抑制剂。首先从SPECS文库中获取配体资源,在schrödinger上进行配体制备和蛋白质制备。然后通过虚拟筛选工作流程进行高通量虚拟筛选与超精密虚拟筛选的多级对接。随后,根据多级对接结果,分析了对接得分最高的4个满意化合物与BTK蛋白的相互作用,并对其进行了全面的细节讨论。本研究可为后续小分子靶向B细胞恶性肿瘤的设计研究奠定基础。
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引用次数: 0
Automatic Assistance Method for Disease Diagnosis Based on a Deep Learning Fusion Model and Chinese Electronic Medical Record 基于深度学习融合模型和中文电子病历的疾病诊断自动辅助方法
Yiping Wang, Guixia Kang, Lijun Liu, Qingsong Huang
Extracting disease characteristics from large-scale Electronic Medical Records and achieving disease-assisted diagnoses have significant research value. Due to the complex multi-feature items and unbalanced data distribution of Electronic Medical Records, feature representation and disease diagnosis are difficult. Our study proposes a deep feature fusion (DFF) model based on the feature partition and deep feature extraction. First, the feature partition is performed, and different feature representation algorithms are adopted for different types of data. The discrete feature items are directly mapped into real-valued vectors, and the continuous feature items are represented by GCNN-based VAE. Then, the two parts are fused. Finally, the assisted diagnosis results are output through a supervised learning classification method based on the XGBoost framework. The dataset of our study is from the 18,590 real and effective clinical Electronic Medical Record of Huangshi Central Hospital. The experimental results show that the method can perform clinical Assisted diagnosis accurately and efficiently, which are superior to some other state-of-the-art approaches, can better meet the needs of practical clinical diagnosis applications.
从大规模电子病历中提取疾病特征,实现疾病辅助诊断具有重要的研究价值。由于电子病历的特征项复杂多,数据分布不均衡,给特征表示和疾病诊断带来了困难。本文提出了一种基于特征分割和深度特征提取的深度特征融合(DFF)模型。首先进行特征划分,针对不同类型的数据采用不同的特征表示算法;离散特征项直接映射为实值向量,连续特征项用基于gcnn的VAE表示。然后,这两部分融合在一起。最后,通过基于XGBoost框架的监督学习分类方法输出辅助诊断结果。本研究数据来源于黄石市中心医院18590份真实有效的临床电子病历。实验结果表明,该方法能够准确、高效地进行临床辅助诊断,优于其他先进方法,能够更好地满足临床实际诊断应用的需要。
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引用次数: 0
Investigation of Potential Inhibitors of Brown Adipose Tissue Induced Thermogenesis 棕色脂肪组织诱导产热的潜在抑制剂的研究
Chang-xun Chen
Obesity is a worldwide problem that causes damage to quality of life and the national health care system. There is no effective treatment for obesity, and the development of novel treatment is necessary. Thermogenesis is a process that happens in thermogenic adipose tissue by transferring energy storage into heat and is a potential target for obesity treatment. In this paper, I screened for potential thermogenic inhibitors by cross comparing human and mouse unbiased proteomic profiling to get 3 out of 7 potential inhibitors. By designing genetic engineering approaches, I acquired gain-of-function and loss-of-function tools for further molecular biology regulation studies of my candidates
肥胖是一个世界性的问题,它对生活质量和国家卫生保健系统造成损害。肥胖没有有效的治疗方法,开发新的治疗方法是必要的。产热是发生在产热脂肪组织中的一个过程,通过将储存的能量转化为热量,是肥胖治疗的潜在目标。在本文中,我通过交叉比较人和小鼠无偏倚蛋白质组学分析筛选潜在的产热抑制剂,以获得7个潜在抑制剂中的3个。通过设计基因工程方法,我获得了功能获得和功能丧失工具,以便进一步研究我的候选人的分子生物学调控
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引用次数: 0
期刊
2021 11th International Conference on Bioscience, Biochemistry and Bioinformatics
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