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Feature selection and classification approaches in gene expression of breast cancer 乳腺癌基因表达的特征选择与分类方法
IF 1.5 Q3 Biochemistry, Genetics and Molecular Biology Pub Date : 2021-01-01 DOI: 10.3934/biophy.2021029
Sarada Ghosh, Guruprasad Samanta, M. de La Sen
DNA microarray technology with biological data-set can monitor the expression levels of thousands of genes simultaneously. Microarray data analysis is important in phenotype classification of diseases. In this work, the computational part basically predicts the tendency towards mortality using different classification techniques by identifying features from the high dimensional dataset. We have analyzed the breast cancer transcriptional genomic data of 1554 transcripts captured over from 272 samples. This work presents effective methods for gene classification using Logistic Regression (LR), Random Forest (RF), Decision Tree (DT) and constructs a classifier with an upgraded rate of accuracy than all features together. The performance of these underlying methods are also compared with dimension reduction method, namely, Principal Component Analysis (PCA). The methods of feature reduction with RF, LR and decision tree (DT) provide better performance than PCA. It is observed that both techniques LR and RF identify TYMP, ERS1, C-MYB and TUBA1a genes. But some features corresponding to the genes such as ARID4B, DNMT3A, TOX3, RGS17 and PNLIP are uniquely pointed out by LR method which are leading to a significant role in breast cancer. The simulation is based on R-software.
具有生物数据集的DNA微阵列技术可以同时监测数千个基因的表达水平。微阵列数据分析在疾病表型分类中具有重要意义。在这项工作中,计算部分基本上通过识别高维数据集中的特征,使用不同的分类技术来预测死亡率的趋势。我们分析了从272个样本中捕获的1554个转录本的乳腺癌转录基因组数据。本文提出了使用逻辑回归(LR)、随机森林(RF)、决策树(DT)进行基因分类的有效方法,并构建了一个比所有特征加在一起准确率更高的分类器。这些基础方法的性能也与降维方法,即主成分分析(PCA)进行了比较。基于RF、LR和决策树(DT)的特征约简方法比PCA具有更好的性能。观察到,LR和RF技术都能识别TYMP、ERS1、C-MYB和TUBA1a基因。但一些与ARID4B、DNMT3A、TOX3、RGS17、PNLIP等基因相对应的特征被LR方法独特地指出,在乳腺癌中起重要作用。仿真是基于r软件进行的。
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引用次数: 0
A basic introduction to single particles cryo-electron microscopy 单粒子低温电子显微镜的基本介绍
IF 1.5 Q3 Biochemistry, Genetics and Molecular Biology Pub Date : 2021-01-01 DOI: 10.3934/biophy.2022002
Vittoria Raimondi, A. Grinzato
In the last years, cryogenic-electron microscopy (cryo-EM) underwent the most impressive improvement compared to other techniques used in structural biology, such as X-ray crystallography and NMR. Electron microscopy was invented nearly one century ago but, up to the beginning of the last decades, the 3D maps produced through this technique were poorly detailed, justifying the term “blobbology” to appeal to cryo-EM. Recently, thanks to a new generation of microscopes and detectors, more efficient algorithms, and easier access to computational power, single particles cryo-EM can routinely produce 3D structures at resolutions comparable to those obtained with X-ray crystallography. However, unlike X-ray crystallography, which needs crystallized proteins, cryo-EM exploits purified samples in solution, allowing the study of proteins and protein complexes that are hard or even impossible to crystallize. For these reasons, single-particle cryo-EM is often the first choice of structural biologists today. Nevertheless, before starting a cryo-EM experiment, many drawbacks and limitations must be considered. Moreover, in practice, the process between the purified sample and the final structure could be trickier than initially expected. Based on these observations, this review aims to offer an overview of the principal technical aspects and setups to be considered while planning and performing a cryo-EM experiment.
在过去的几年里,低温电子显微镜(cryo-EM)与结构生物学中使用的其他技术(如x射线晶体学和核磁共振)相比,经历了最令人印象深刻的改进。电子显微镜是近一个世纪前发明的,但直到最近几十年,通过这种技术产生的3D地图都很不详细,这证明了“斑点学”一词对冷冻电镜的吸引力。最近,由于新一代显微镜和探测器、更有效的算法和更容易获得的计算能力,单粒子冷冻电镜可以常规地产生3D结构,其分辨率可与x射线晶体学获得的分辨率相当。然而,与需要结晶蛋白质的x射线晶体学不同,冷冻电镜利用溶液中的纯化样品,允许研究难以结晶甚至不可能结晶的蛋白质和蛋白质复合物。由于这些原因,单粒子冷冻电镜通常是当今结构生物学家的首选。然而,在开始低温电镜实验之前,必须考虑许多缺点和局限性。此外,在实践中,纯化样品和最终结构之间的过程可能比最初预期的要棘手。基于这些观察,本综述旨在概述在计划和执行低温电镜实验时要考虑的主要技术方面和设置。
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引用次数: 1
2D vs 3D tracking in bacterial motility analysis 细菌运动分析中的二维与三维跟踪
IF 1.5 Q3 Biochemistry, Genetics and Molecular Biology Pub Date : 2021-01-01 DOI: 10.3934/biophy.2021030
J. Acres, J. Nadeau
Digital holographic microscopy provides the ability to observe throughout a large volume without refocusing. This capability enables simultaneous observations of large numbers of microorganisms swimming in an essentially unconstrained fashion. However, computational tools for tracking large 4D datasets remain lacking. In this paper, we examine the errors introduced by tracking bacterial motion as 2D projections vs. 3D volumes under different circumstances: bacteria free in liquid media and bacteria near a glass surface. We find that while XYZ speeds are generally equal to or larger than XY speeds, they are still within empirical uncertainties. Additionally, when studying dynamic surface behavior, the Z coordinate cannot be neglected.
数字全息显微镜提供了在没有重新聚焦的情况下观察整个大体积的能力。这种能力使我们能够同时观察大量微生物以一种基本上不受约束的方式游动。然而,用于跟踪大型四维数据集的计算工具仍然缺乏。在本文中,我们研究了在不同情况下通过跟踪细菌运动作为2D投影与3D体积所引入的误差:液体介质中无细菌和靠近玻璃表面的细菌。我们发现,虽然XYZ速度通常等于或大于XY速度,但它们仍在经验不确定性范围内。此外,在研究动态表面行为时,Z坐标是不可忽视的。
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引用次数: 3
Chest X-Ray image and pathological data based artificial intelligence enabled dual diagnostic method for multi-stage classification of COVID-19 patients 基于胸部x线图像和病理数据的人工智能实现了COVID-19患者多阶段分类的双重诊断方法
IF 1.5 Q3 Biochemistry, Genetics and Molecular Biology Pub Date : 2021-01-01 DOI: 10.3934/biophy.2021028
Swarnava Biswas, Debajit Sen, D. Bhatia, P. Phukan, M. Mukherjee
The use of Artificial Intelligence (AI) in combination with Internet of Things (IoT) drastically reduces the need to test the COVID samples manually, saving not only time but money and ultimately lives. In this paper, the authors have proposed a novel methodology to identify the COVID-19 patients with an annotated stage to enable the medical staff to manually activate a geo-fence around the subject thus ensuring early detection and isolation. The use of radiography images with pathology data used for COVID-19 identification forms the first-ever contribution by any research group globally. The novelty lies in the correct stage classification of COVID-19 subjects as well. The present analysis would bring this AI Model on the edge to make the facility an IoT-enabled unit. The developed system has been compared and extensively verified thoroughly with those of clinical observations. The significance of radiography imaging for detecting and identification of COVID-19 subjects with severity score tag for stage classification is mathematically established. In a Nutshell, this entire algorithmic workflow can be used not only for predictive analytics but also for prescriptive analytics to complete the entire pipeline from the diagnostic viewpoint of a doctor. As a matter of fact, the authors have used a supervised based learning approach aided by a multiple hypothesis based decision fusion based technique to increase the overall system's accuracy and prediction. The end to end value chain has been put under an IoT based ecosystem to leverage the combined power of AI and IoT to not only detect but also to isolate the coronavirus affected individuals. To emphasize further, the developed AI model predicts the respective categories of a coronavirus affected patients and the IoT system helps the point of care facilities to isolate and prescribe the need of hospitalization for the COVID patients.
人工智能(AI)与物联网(IoT)的结合使用大大减少了人工测试COVID样本的需求,不仅节省了时间,还节省了金钱,最终节省了生命。在本文中,作者提出了一种新的方法来识别具有注释阶段的COVID-19患者,使医务人员能够手动激活受试者周围的地理围栏,从而确保早期发现和隔离。将x线摄影图像与用于COVID-19鉴定的病理数据结合使用,是全球任何研究小组首次做出的贡献。新颖性还在于对新冠肺炎患者进行了正确的阶段分类。目前的分析将使这个人工智能模型处于边缘,使该设施成为一个支持物联网的单元。所开发的系统已与临床观察结果进行了比较和广泛的彻底验证。用数学方法建立了影像学对COVID-19重症评分标签进行分期分类的检测和识别的意义。简而言之,整个算法工作流程不仅可以用于预测分析,还可以用于规范分析,从医生的诊断角度完成整个流程。事实上,作者使用了一种基于监督的学习方法,辅以基于多假设的决策融合技术来提高整个系统的准确性和预测能力。端到端价值链已置于基于物联网的生态系统之下,以利用人工智能和物联网的联合力量,不仅可以检测而且可以隔离受冠状病毒影响的个人。为了进一步强调,开发的人工智能模型预测了受冠状病毒影响的患者的各自类别,物联网系统帮助护理机构隔离并规定了COVID患者的住院需求。
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引用次数: 3
2021-end editorial: achievements, thanks, perspectives 2021年底社论:成就、感谢、展望
IF 1.5 Q3 Biochemistry, Genetics and Molecular Biology Pub Date : 2021-01-01 DOI: 10.3934/biophy.2022001
C. Bianca

This year, the first one as Editor-in-chief of AIMS Biophysics, comes to an end. This Editorial is devoted to summarize the main results of this year and the perspectives of the journal. Last but not least to the Thanks.

今年,他作为《AIMS生物物理》主编的第一个任期即将结束。这篇社论致力于总结今年的主要成果和该杂志的观点。最后但并非最不重要的是感谢。
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引用次数: 0
Enzyme-instructed self-assembly of peptides: Process, dynamics, nanostructures, and biomedical applications 酶指导的肽自组装:过程、动力学、纳米结构和生物医学应用
IF 1.5 Q3 Biochemistry, Genetics and Molecular Biology Pub Date : 2020-09-26 DOI: 10.3934/BIOPHY.2020028
Y. Chen, B. Liu, Lei Guo, Zhong-Liang Xiong, Gang We
Biomolecular self-assembly provides a potential way for the design and synthesis of functional biomaterials with uniform structure and unique properties, in which the self-assembly of peptide molecules is especially important ascribed to the controllable structural design and functional tailoring of peptide motifs. The self-assembly of peptides can be instructed by internal and external physical, chemical, and biological stimulations. Compared to both physical and chemical stimulations including light/thermal treatment, pH/ionic strength adjustment, and others, the biological mediation with enzymes exhibited great advantages due to its high bioactivity, excellent biocompatibility, high specificity, and in vivo reaction. Herein we summarize the advance in the enzyme-instructed peptide self-assembly for biomedical applications. For this aim, we introduce and discuss the self-assembly of peptide that controlled by both kinetics and dynamics, and then demonstrate the enzyme-induced preparation of peptide nanostructures such as nanofibers, nanotubes, vesicles, networks, and hydrogels. Finally, the biomedical applications of enzyme-induced self-assembled peptide nanomaterials for cancer diagnostics, cancer therapy, bioelectronic devices, and biosensors are presented. It is expected this work will inspire more studies on the using of bioactive enzymes for triggering the self-assembly of peptides to create various novel bionanomaterials, which could extend this interesting research field to others such as tissue engineering, biocatalysis, energy storage, and environmental science.
生物分子自组装为设计和合成具有统一结构和独特性能的功能生物材料提供了一条潜在的途径,其中肽分子的自组装由于肽基序的可控结构设计和功能定制而显得尤为重要。多肽的自组装可以通过内部和外部的物理、化学和生物刺激来指导。与光/热处理、pH/离子强度调节等物理和化学刺激相比,酶生物介导具有生物活性高、生物相容性好、特异性高、体内反应等优势。本文综述了酶导肽自组装技术在生物医学领域的研究进展。为此,我们介绍并讨论了由动力学和动力学控制的肽的自组装,然后展示了酶诱导制备的肽纳米结构,如纳米纤维、纳米管、囊泡、网络和水凝胶。最后,介绍了酶诱导的自组装肽纳米材料在癌症诊断、癌症治疗、生物电子器件和生物传感器等方面的生物医学应用。期望这项工作将激发更多的研究,利用生物活性酶来触发肽的自组装,以创造各种新的生物纳米材料,并将这一有趣的研究领域扩展到其他领域,如组织工程、生物催化、能源储存和环境科学。
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引用次数: 0
Thermodynamic, kinetic and docking studies of some unsaturated fatty acids-quercetin derivatives as inhibitors of mushroom tyrosinase 一些不饱和脂肪酸-槲皮素衍生物作为蘑菇酪氨酸酶抑制剂的热力学、动力学和对接研究
IF 1.5 Q3 Biochemistry, Genetics and Molecular Biology Pub Date : 2020-09-01 DOI: 10.3934/biophy.2020027
Morteza Vaezi, G. Behbehani, A. Farasat, N. Gheibi, Cellular
Inhibition of activity and stability structure of mushroom tyrosinase (MT) is highly important, since it is a key enzyme of melanogenesis playing various roles in organisms. In this study, thermodynamic stability and diphenolase activities were investigated in the presence of quercetin-7-linoleate (ligand I) and quercetin-7-oleate (ligand II) on mushroom tyrosinase by experimental and computational methods. Kinetic analyses showed that the inhibition mechanism of these ligands is reversible and competitive manner. The inhibition constants values (KiI = 0.31 and KiII = 0.43 mM) and the half maximal inhibitory concentration (IC50 = 0.58 and 0.71 mM) were determined for ligand I and ligand II respectively. Thermal denaturation for the sole and modified enzyme were performed by using fluorescence spectroscopy to obtain the thermodynamic parameters of denaturation. Type of interactions and orientation of ligands were determined by molecular docking simulations. The binding affinities of the MT–ligand complexes during docking were calculated. In the computational studies performed using the MT (PDBID: 2Y9X) from which tropolone was removed, we showed that the ligands occupied different pockets in MT other than the active site. The best binding energies with values of −9 and −7.9 kcal/mol were calculated and the MolDock scores of the best poses with the lowest root mean square deviation (RMSD) were obtained as −172.70 and −165.75 kcal/mol for complexes of MT–ligand I and MT–ligand II, respectively. Computational simulations and experimental analysis demonstrated that the ligands increased the mushroom tyrosinase stability by reducing the activity of enzyme. In this regard, ligand I showed the potent inhibitory and played an important role in enzyme stability.
抑制蘑菇酪氨酸酶(MT)的活性和稳定结构是非常重要的,因为它是黑色素生成的关键酶,在生物体中发挥着各种作用。本研究采用实验和计算方法,研究了槲皮素-7-亚麻酸盐(配体I)和槲皮素-7-油酸盐(配体II)对蘑菇酪氨酸酶的热力学稳定性和二酚酶活性。动力学分析表明,这些配体的抑制机制是可逆和竞争的。分别测定配体I和配体II的抑制常数值(KiI=0.31和KiII=0.43mM)和半最大抑制浓度(IC50=0.58和0.71mM)。利用荧光光谱法对鞋底和改性酶进行热变性,得到变性的热力学参数。通过分子对接模拟确定了配体的相互作用类型和取向。计算对接过程中MT-配体复合物的结合亲和力。在使用MT(PDBID:2Y9X)进行的计算研究中,我们发现配体在MT中占据了除活性位点之外的不同口袋。计算了值为−9和−7.9 kcal/mol的最佳结合能,并且对于MT–配体I和MT–配体II的配合物,具有最低均方根偏差(RMSD)的最佳姿势的MolDock得分分别为−172.70和−165.75 kcal/mol。计算模拟和实验分析表明,配体通过降低酶的活性来提高蘑菇酪氨酸酶的稳定性。在这方面,配体I显示出强大的抑制作用,并在酶的稳定性中发挥重要作用。
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引用次数: 7
Nanoparticle-based delivery platforms for mRNA vaccine development 用于mRNA疫苗开发的基于纳米粒子的递送平台
IF 1.5 Q3 Biochemistry, Genetics and Molecular Biology Pub Date : 2020-08-16 DOI: 10.3934/biophy.2020023
S. Okay, Ö. Özcan, M. Karahan
Conventional vaccines have saved millions of lives, and new vaccines have also been developed; however, an urgent need for an efficient vaccine against SARS-CoV-2 showed us that vaccine development technologies should be improved more to obtain prophylactic agents rapidly during pandemic diseases. One of the next-generation vaccine technologies is utilization of mRNA molecules encoding antigens. The mRNA vaccines offer many advantages compared to conventional and other subunit vaccines. For instance, mRNA vaccines are relatively safe since they do not cause disease and mRNA does not integrate into the genome. mRNA vaccines also provide diverse types of immune responses resulting in the activation of CD4+ and CD8+ T cells. However, utilization of mRNA molecules also has some drawbacks such as degradation by ubiquitous nucleases in vivo. Nanoparticles (NPs) are delivery platforms that carry the desired molecule, a drug or a vaccine agent, to the target cell such as antigen presenting cells in the case of vaccine development. NP platforms also protect mRNA molecules from the degradation by nucleases. Therefore, efficient mRNA vaccines can be obtained via utilization of NPs in the formulation. Although lipid-based NPs are widely preferred in vaccine development due to the nature of cell membrane, there are various types of other NPs used in vaccine formulations, such as virus-like particles (VLPs), polymers, polypeptides, dendrimers or gold NPs. Improvements in the NP delivery technologies will contribute to the development of mRNA vaccines with higher efficiency.
常规疫苗挽救了数百万人的生命,也开发了新的疫苗;然而,对有效的严重急性呼吸系统综合征冠状病毒2型疫苗的迫切需求表明,应该进一步改进疫苗开发技术,以便在大流行性疾病期间快速获得预防剂。下一代疫苗技术之一是利用编码抗原的信使核糖核酸分子。与传统疫苗和其他亚单位疫苗相比,信使核糖核酸疫苗具有许多优势。例如,信使核糖核酸疫苗是相对安全的,因为它们不会引起疾病,而且信使核糖核酸不会整合到基因组中。信使核糖核酸疫苗还提供不同类型的免疫反应,导致CD4+和CD8+T细胞的活化。然而,信使核糖核酸分子的利用也有一些缺点,例如在体内被普遍存在的核酸酶降解。纳米粒子(NP)是在疫苗开发的情况下将所需分子、药物或疫苗剂携带到靶细胞(如抗原呈递细胞)的递送平台。NP平台还保护信使核糖核酸分子免受核酸酶的降解。因此,可以通过在制剂中利用NP来获得有效的mRNA疫苗。尽管由于细胞膜的性质,基于脂质的NP在疫苗开发中被广泛优选,但在疫苗制剂中也有各种类型的其他NP,如病毒样颗粒(VLP)、聚合物、多肽、树枝状聚合物或金NP。NP递送技术的改进将有助于开发更高效的信使核糖核酸疫苗。
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引用次数: 11
Effects of treated water with neodymium magnets (NdFeB) on growth characteristics of pepper (Capsicum annuum) 钕铁硼处理水对辣椒生长特性的影响
IF 1.5 Q3 Biochemistry, Genetics and Molecular Biology Pub Date : 2020-07-07 DOI: 10.3934/biophy.2020021
Etimad M. Alattar, Khitam Alwasife, Eqbal Radwan
This study was conducted to investigate the effect of magnetic water treatment on growth characteristics of pepper (Capsicum annuum) plants. One week old pepper plants were selected and divided into four groups in a complete randomized design. In our study, we took normal tap water and divided it into four parts. The first group received given non-magnetically treated water (as a control), while the remaining groups received magnetized water at 3, 6, and 9 magnets, respectively. Four pipes and 18 permanent magnets with a flux density of 70 mT were used for this system. The results of the current study showed that magnetized water caused significant increases in all studied parameters, except plant length and dry weight, when compared to non-magnetized water. The results revealed that magnetizing water with 6 magnets was effective than others in increasing the number of fruits and leaves per plant, whereas magnetizing water with 9 magnets was effective than others in increasing the fresh weight of produces fruits. The impact of magnetic water treatment depends on the number of magnets used to magnetizing water. It appears that the utilization of magnetically treated water can lead to improving the quantity and quality of pepper fruits. Therefore, applying magnetized water could be one of the most promising ways to enhance agricultural production in an environmentally friendly way.
本试验研究了磁水处理对辣椒生长特性的影响。选取1周龄辣椒植株,采用完全随机设计分为4组。在我们的研究中,我们把普通的自来水分成四部分。第一组接受了未经磁化处理的水(作为对照),而其余组分别接受了3、6和9个磁体的磁化水。该系统使用了4根管道和18块永磁体,磁通密度为70mt。目前的研究结果表明,与未磁化的水相比,磁化水引起了除植物长度和干重外的所有研究参数的显著增加。结果表明,6磁体磁化水在增加单株果实和叶片数量方面比其他磁化水有效,而9磁体磁化水在增加果实鲜重方面比其他磁化水有效。磁水处理的效果取决于对水进行磁化的磁体的数量。结果表明,利用磁处理后的水可以提高辣椒果实的数量和质量。因此,应用磁化水可能是最有希望以环保方式提高农业生产的方法之一。
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引用次数: 6
Macromolecular sizes of serum albumins in its aqueous solutions 血清白蛋白水溶液中的大分子尺寸
IF 1.5 Q3 Biochemistry, Genetics and Molecular Biology Pub Date : 2020-06-23 DOI: 10.3934/biophy.2020017
O. Khorolskyi, N. P. Malomuzh
Changes in the structure and sizes of human and bovine serum albumins as well as polyvinyl alcohol macromolecules in aqueous solutions depending on temperature, concentration, and acid-base balance (pH) of the solutions are discussed. It is taken into consideration that the change in the hydrodynamic radius of a macromolecule is one of the indicators of structural phase transformations of globular proteins. The methods of the macromolecular radii determination from the shear viscosity and the self-diffusion of macromolecules in solutions are discussed. The hydrodynamic radius values of albumin and polyvinyl alcohol macromolecules obtained by the above methods are thoroughly compared. Consideration of these questions provides us with important information on the nature of the binding of water molecules with protein macromolecules.
讨论了人血清白蛋白和牛血清白蛋白以及聚乙烯醇大分子在水溶液中的结构和大小随溶液的温度、浓度和酸碱平衡(pH)的变化。考虑到大分子流体动力半径的变化是球状蛋白结构相变的指标之一。讨论了由剪切粘度和溶液中大分子的自扩散来确定大分子半径的方法。对上述方法得到的白蛋白和聚乙烯醇大分子的水动力半径值进行了比较。考虑这些问题为我们提供了有关水分子与蛋白质大分子结合性质的重要信息。
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引用次数: 8
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AIMS Biophysics
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