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  • 文章类型: Journal Article
    未经结构修饰的治疗剂的自组装超分子水凝胶在生物医学应用中具有重要意义。然而,治疗分子的复杂构象和难以捉摸的相互作用限制了水凝胶的受控组装。与散装水溶液中的分子相比,界面处的分子可能具有不同的排列和组装。这可能会改变超分子多晶型物的选择性。然而,这种影响仍然没有得到很好的理解。这里,我们展示了用于水凝胶的界面诱导的纤维自组装,这与本体水溶液中的球形聚集体不同,使用头孢拉定(CEP)作为模型化合物。这种现象是由各向异性分子在界面处堆积引起的,它可用于控制超分子多态性,以直接自组装治疗剂的水凝胶。界面诱导的水凝胶表现出高度的可调节释放和长效杀菌效果。
    Self-assembled supermolecular hydrogels of therapeutic agents without structural modification are of great significance in biomedical applications. Nevertheless, the complex conformations and elusive interactions of therapeutic molecules limit the controlled assembly of hydrogels. Molecules at the interface might have different arrangements and assemblies compared to those in bulk aqueous solution, which could potentially alter the selectivity of supramolecular polymorphs. However, this effect is still not well understood. Here, we demonstrate the interface-induced self-assembly of fibers for hydrogels, which is distinct from the spherical aggregates in the bulk aqueous solution, using cephradine (CEP) as a model compound. This phenomenon is caused by the packing of anisotropic molecules at the interface, and it can be applied to control the supramolecular polymorphism for the direct self-assembly of hydrogels of therapeutic agents. The interface-induced hydrogel exhibits a high degree of adjustable release and a long-acting bactericidal effect.
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  • 文章类型: Journal Article
    Panulirus属的多刺龙虾(Decapoda:Palinuridae)是全球有利可图的渔业的目标,在热带和亚热带环境中具有相关的生态功能。只有少数,但是越来越多,他们拥有大量的遗传和基因组资源。核和线粒体基因组组装体可以提供对其系统发育关系的见解,并支持被大量开发的物种的渔业管理策略。在这里,使用Illumina短读数全基因组测序,我们组装了总共14个物种的核和线粒体基因组。从保存在克莱姆森大学甲壳动物馆藏的标本中提取基因组DNA,并在HiSeqXTen系统中进行测序。针对不同研究物种产生的配对末端(PE)读数的数量在P.argus中的219,917,346和P.cygnus中的70,215,423之间变化。核和线粒体基因组是“从头”组装的。核基因组范围在P.guttatus中的1,624,400,357bp和P.cygnus中的935,571,898bp之间,支架数量在P.versicolor中的466,583和P.longipes中的852,228之间变化。Pascuensis和P.versicolor的线粒体基因组在15,613bp和15,768bp之间变化,分别。短读的全部,核,和线粒体基因组组装可在NCBI的GenBank获得。
    Spiny lobsters (Decapoda: Palinuridae) in the genus Panulirus are targets of lucrative fisheries globally and have relevant ecological functions in tropical and subtropical environments. Only a few, but increasing, number of genetic and genomic resources exist for them. Nuclear and mitochondrial genome assemblies can provide insights into their phylogenetic relationships and support fishery management strategies in species that are heavily exploited. Herein, using Illumina short reads whole genome sequencing, we assembled the nuclear and mitochondrial genomes of a total of 14 species. Genomic DNA was extracted from specimens deposited at Clemson University Crustacean Collection and sequenced in a HiSeq X Ten system. The number of paired-end (PE) reads generated for the different studied species varied between 219,917,346 in P. argus and 70,215,423 in P. cygnus. Nuclear and mitochondrial genomes were \'de novo\' assembled. Nuclear genomes ranged between 1,624,400,357 bp in P. guttatus and 935,571,898 bp in P. cygnus with scaffold numbers varying between 466,583 in P. versicolor and 852,228 in P. longipes. Mitochondrial genomes varied between 15,613 bp and 15,768 bp in P. pascuensis and P. versicolor, respectively. The totality of the short reads, nuclear, and mitochondrial genome assemblies are available at NCBI\'s GenBank.
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  • 文章类型: Journal Article
    关于超基因的研究,非重组基因组区域包含控制复杂表型的紧密连锁基因,最近在基因组学中获得了突出的地位。异类地,在几个被子植物家庭中促进异形的花卉异形,受S基因座超基因控制。主要在密切相关的报春花物种中研究了S基因座,最近,在其他独立进化的群体中。然而,尚不清楚S基因座的遗传结构和组成是否在具有共同起源的物种之间保持不变,并随后在更大的时间尺度上分化。为了解决这个研究空白,我们提出了报春花的染色体尺度基因组组装,与报春花(已表征其S基因座)具有相同的异型起源,但在1800万年前与之不同。这两个物种之间的比较基因组分析使我们能够证明,第一次,S基因座可以在染色体之间跳跃(即易位),保持其控制异型的功能。此外,我们发现四个S基因座基因是保守的,但在超基因中重新改组,似乎不影响他们的表达,因此,我们无法检测到的变化解释缺乏自交不亲和。此外,我们证实S基因座没有发生遗传变性。最后,我们从全基因组复制和转座因子积累的角度研究了埃里卡利卡利斯内的埃德博吉杆菌进化史。总之,我们的工作为比较分析提供了宝贵的资源,旨在研究异型遗传以及超基因在塑造复杂表型进化中的关键作用。
    Research on supergenes, non-recombining genomic regions housing tightly linked genes that control complex phenotypes, has recently gained prominence in genomics. Heterostyly, a floral heteromorphism promoting outcrossing in several angiosperm families, is controlled by the S-locus supergene. The S-locus has been studied primarily in closely related Primula species and, more recently, in other groups that independently evolved heterostyly. However, it remains unknown whether genetic architecture and composition of the S-locus are maintained among species that share a common origin of heterostyly and subsequently diverged across larger time scales. To address this research gap, we present a chromosome-scale genome assembly of Primula edelbergii, a species that shares the same origin of heterostyly with Primula veris (whose S-locus has been characterized) but diverged from it 18 million years ago. Comparative genomic analyses between these two species allowed us to show, for the first time, that the S-locus can \'jump\' (i.e. translocate) between chromosomes maintaining its function in controlling heterostyly. Additionally, we found that four S-locus genes were conserved but reshuffled within the supergene, seemingly without affecting their expression, thus we could not detect changes explaining the lack of self-incompatibility in P. edelbergii. Furthermore, we confirmed that the S-locus is not undergoing genetic degeneration. Finally, we investigated P. edelbergii evolutionary history within Ericales in terms of whole genome duplications and transposable element accumulation. In summary, our work provides a valuable resource for comparative analyses aimed at investigating the genetics of heterostyly and the pivotal role of supergenes in shaping the evolution of complex phenotypes.
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  • 文章类型: Journal Article
    本研究描述了一个资源模块的开发,该模块是名为“NIGMSSandboxforCloud-basedLearning”(https://github.com/NIGMS/NIGMS-Sandbox)的学习平台的一部分。沙箱的整体起源在本补编开头的编辑NIGMS沙箱中进行了描述。该模块使用Nextflow以交互式格式提供有关从头转录组组装的学习材料,该格式使用适当的云资源进行数据访问和分析。云计算是一种强大的新手段,生物医学研究人员可以通过它访问以前无法实现或过于昂贵的资源和容量。为了利用这些资源,然而,生物医学研究界需要新的技能和知识。我们在这里介绍一个基于云的训练模块,与GoogleCloud共同开发,德勤咨询,和NIHSTRIDES计划,它使用从头转录组组装的生物学问题来演示和教授计算工作流(使用Nextflow)以及云服务的成本和资源高效使用(使用GoogleCloudPlatform)的概念。我们的工作强调了减少现场计算资源的必要性和基于云的基础设施对生物信息学应用的可访问性。
    This study describes the development of a resource module that is part of a learning platform named \"NIGMS Sandbox for Cloud-based Learning\" (https://github.com/NIGMS/NIGMS-Sandbox). The overall genesis of the Sandbox is described in the editorial NIGMS Sandbox at the beginning of this Supplement. This module delivers learning materials on de novo transcriptome assembly using Nextflow in an interactive format that uses appropriate cloud resources for data access and analysis. Cloud computing is a powerful new means by which biomedical researchers can access resources and capacity that were previously either unattainable or prohibitively expensive. To take advantage of these resources, however, the biomedical research community needs new skills and knowledge. We present here a cloud-based training module, developed in conjunction with Google Cloud, Deloitte Consulting, and the NIH STRIDES Program, that uses the biological problem of de novo transcriptome assembly to demonstrate and teach the concepts of computational workflows (using Nextflow) and cost- and resource-efficient use of Cloud services (using Google Cloud Platform). Our work highlights the reduced necessity of on-site computing resources and the accessibility of cloud-based infrastructure for bioinformatics applications.
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  • 文章类型: Journal Article
    单壁碳纳米管(SWCNT)具有可穿戴和柔性设备所需的优异的电子和机械性能。SWCNT膜的制备是制造各种器件的第一步。这项工作开发了一种可扩展且可行的方法,基于表面张力梯度诱导的Marangoni流,在水表面上组装SWCNT薄膜。薄膜具有40厘米×30厘米(可延伸)的大面积,可调厚度为15~150nm,高达96%的高透明度,和一个体面的导电性。它们准备直接转移到各种基材上,包括灵活的。柔性应变传感器是用柔性衬底上的膜制造的。这些传感器具有高灵敏度和可重复性。通过实现多功能人体运动传感,包括回应声音,监测动脉搏动,检测关节和肌肉动作,组装的SWCNT薄膜显示了在智能设备中应用的潜力。
    Single-walled carbon nanotubes (SWCNTs) present excellent electronic and mechanical properties desired in wearable and flexible devices. The preparation of SWCNT films is the first step for fabricating various devices. This work developed a scalable and feasible method to assemble SWCNT thin films on water surfaces based on Marangoni flow induced by surface tension gradient. The films possess a large area of 40 cm × 30 cm (extensible), a tunable thickness of 15∼150 nm, a high transparency of up to 96%, and a decent conductivity. They are ready to be directly transferred to various substrates, including flexible ones. Flexible strain sensors were fabricated with the films on flexible substrates. These sensors worked with high sensitivity and repeatability. By realizing multi-functional human motion sensing, including responding to voices, monitoring artery pulses, and detecting knuckle and muscle actions, the assembled SWCNT films demonstrated the potential for application in smart devices.
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  • 文章类型: Journal Article
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  • 文章类型: Journal Article
    宏基因组群落分析,在测序技术持续发展的推动下,正在迅速提供微生物学许多方面的见解,并成为基石工具。Illumina,牛津纳米孔技术(ONT)和太平洋生物科学(PacBio)是领先的技术,每个人都有自己的优点和缺点。Illumina以低成本提供准确的读数,但是它们的长度太短,无法关闭细菌基因组。长读克服了这个限制,但这些技术产生的读取精度较低(ONT)或吞吐量较低(PacBio高保真读取)。在关键的第一步分析中,读段被组装以重建群落内的基因组或单个基因。然而,到目前为止,现有组装器的性能从未受到复杂模拟宏基因组的挑战。这里,我们评估当前使用short,在由227个具有不同程度相关性的细菌菌株组成的复杂模拟宏基因组上,长或两者都是阅读类型。我们表明,许多当前的组装者不适合处理这种复杂的宏基因组。此外,混合组件不能发挥其潜力。我们得出的结论是,用CANU组装的ONT读段和用SPAdes组装的Illumina读段为重建复杂宏基因组的基因组和个体基因提供了最佳价值。分别。
    Metagenome community analyses, driven by the continued development in sequencing technology, is rapidly providing insights in many aspects of microbiology and becoming a cornerstone tool. Illumina, Oxford Nanopore Technologies (ONT) and Pacific Biosciences (PacBio) are the leading technologies, each with their own advantages and drawbacks. Illumina provides accurate reads at a low cost, but their length is too short to close bacterial genomes. Long reads overcome this limitation, but these technologies produce reads with lower accuracy (ONT) or with lower throughput (PacBio high-fidelity reads). In a critical first analysis step, reads are assembled to reconstruct genomes or individual genes within the community. However, to date, the performance of existing assemblers has never been challenged with a complex mock metagenome. Here, we evaluate the performance of current assemblers that use short, long or both read types on a complex mock metagenome consisting of 227 bacterial strains with varying degrees of relatedness. We show that many of the current assemblers are not suited to handle such a complex metagenome. In addition, hybrid assemblies do not fulfil their potential. We conclude that ONT reads assembled with CANU and Illumina reads assembled with SPAdes offer the best value for reconstructing genomes and individual genes of complex metagenomes, respectively.
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  • 文章类型: Journal Article
    在工业5.0的背景下,我们的研究通过将多目标优化与自然启发的算法和数字人体建模工具相结合来推进制造工厂布局规划。这种方法旨在克服传统规划方法的局限性,通常依赖于工程师的专业知识和公司各种职能的投入,导致缓慢的过程和人为错误的风险。通过将多目标优化集中在三个主要目标上,我们的方法促进客观有效的布局规划,同时考虑工人的福祉和系统性能效率。通过踏板车组装站布局案例进行说明,我们展示了布局规划如何转变为透明的,跨学科,和自动化活动。该方法提供了多目标决策支持,展示了制造工厂布局设计实践的重要一步。
    原理:在制造布局计划中集成多目标优化可同时考虑生产率,工人福祉,和空间效率,超越传统,依赖专家的方法,往往忽视关键的设计方面。利用自然启发的算法和数字人体建模工具,这项研究提出了一个整体,自动化设计过程符合工业5.0。目的:本研究展示了一种创新的制造布局优化方法,该方法同时考虑了工人的福祉和系统性能。利用非支配排序遗传算法II(NSGA-II)和粒子群优化(PSO)以及数字人体建模(DHM)工具,这项研究提出了同样优先考虑人体工程学因素的布局,生产力,和面积利用。方法:通过一个踏板车装配站案例,这项研究说明了布局规划向透明的过渡,跨学科,和自动化的过程。该方法提供了客观的决策支持,同时平衡不同的目标。结果:从NSGA-II和PSO算法获得的优化结果代表了布局建议的可行非主导解决方案,与NSGA-II算法在所有目标中找到优于专家工程师设计的布局开始解决方案的解决方案。这证明了所提出的方法可以显着完善布局规划实践。结论:该研究验证了多目标优化与数字人建模相结合在制造布局规划中的有效性。与工业5.0强调以人为本的流程保持一致。它证明了运营效率和工人福祉可以同时考虑,并提出了未来潜在的制造设计进步。这种方法强调了多目标考虑优化布局实现的必要性,标志着在满足现代制造业复杂需求方面迈出了一步。
    OCCUPATIONAL APPLICATIONSIn the context of Industry 5.0, our study advances manufacturing factory layout planning by integrating multi-objective optimization with nature-inspired algorithms and a digital human modeling tool. This approach aims to overcome the limitations of traditional planning methods, which often rely on engineers\' expertise and inputs from various functions in a company, leading to slow processes and risk of human errors. By focusing the multi-objective optimization on three primary targets, our methodology promotes objective and efficient layout planning, simultaneously considering worker well-being and system performance efficiency. Illustrated through a pedal car assembly station layout case, we demonstrate how layout planning can transition into a transparent, cross-disciplinary, and automated activity. This methodology provides multi-objective decision support, showcasing a significant step forward in manufacturing factory layout design practices.
    Rationale: Integrating multi-objective optimization in manufacturing layout planning addresses simultaneous considerations of productivity, worker well-being, and space efficiency, moving beyond traditional, expert-reliant methods that often overlook critical design aspects. Leveraging nature-inspired algorithms and a digital human modeling tool, this study advances a holistic, automated design process in line with Industry 5.0. Purpose: This research demonstrates an innovative approach to manufacturing layout optimization that simultaneously considers worker well-being and system performance. Utilizing the Non-dominated Sorting Genetic Algorithm II (NSGA-II) and Particle Swarm Optimization (PSO) alongside a Digital Human Modeling (DHM) tool, the study proposes layouts that equally prioritize ergonomic factors, productivity, and area utilization. Methods: Through a pedal car assembly station case, the study illustrates the transition of layout planning into a transparent, cross-disciplinary, and automated process. This method offers objective decision support, balancing diverse objectives concurrently. Results: The optimization results obtained from the NSGA-II and PSO algorithms represent feasible non-dominated solutions of layout proposals, with the NSGA-II algorithm finding a solution superior in all objectives compared to the expert engineer-designed start solution for the layout. This demonstrates the presented method’s capacity to refine layout planning practices significantly. Conclusions: The study validates the effectiveness of combining multi-objective optimization with digital human modeling in manufacturing layout planning, aligning with Industry 5.0’s emphasis on human-centric processes. It proves that operational efficiency and worker well-being can be simultaneously considered and presents future potential manufacturing design advancements. This approach underscores the necessity of multi-objective consideration for optimal layout achievement, marking a progressive step in meeting modern manufacturing’s complex demands.
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  • 文章类型: Journal Article
    公开可用的细菌基因组序列数量惊人(在撰写本文时,仅在NCBI的GenBank中就有200万个程序集),沉积速率继续增加。这些丰富的数据需要进行系统发育分析,以将这些序列置于进化背景下。系统发育位置不仅有助于分类学分类,但告知新表型的进化,选择的目标,和水平基因转移。从多基因密码子比对构建树木是一项艰巨的任务,需要生物信息学专业知识,严格的直系同源物策展,和繁重的计算。使问题复杂化的是缺乏可以简化从大规模基因组数据构建树木的这些过程的工具。这里我们介绍OrthoPhyl,它采用细菌基因组组装并从全基因组密码子比对重建树。分析流程可以通过识别跨越组件子集的多样性并使用这些基因组来构建基因模型以推断完整数据集中的直向同源物,来分析任意数量的输入基因组(此处测试的>1200)。为了说明OrthoPhyl的多功能性,我们展示了三个用例:大肠杆菌/志贺氏菌,布鲁氏菌/嗜铬杆菌,和Rickettsiales订单。我们使用替代方法将用OrthoPhyl生成的树与用kSNP3和GToTree生成的树以及已发布的树进行比较。我们证明了OrthoPhyl树与其他方法是一致的,同时结合了更多的数据,允许更多的输入基因组,更灵活的分析。
    There are a staggering number of publicly available bacterial genome sequences (at writing, 2.0 million assemblies in NCBI\'s GenBank alone), and the deposition rate continues to increase. This wealth of data begs for phylogenetic analyses to place these sequences within an evolutionary context. A phylogenetic placement not only aids in taxonomic classification, but informs the evolution of novel phenotypes, targets of selection, and horizontal gene transfer. Building trees from multi-gene codon alignments is a laborious task that requires bioinformatic expertise, rigorous curation of orthologs, and heavy computation. Compounding the problem is the lack of tools that can streamline these processes for building trees from large scale genomic data. Here we present OrthoPhyl, which takes bacterial genome assemblies and reconstructs trees from whole genome codon alignments. The analysis pipeline can analyze an arbitrarily large number of input genomes (>1200 tested here) by identifying a diversity spanning subset of assemblies and using these genomes to build gene models to infer orthologs in the full dataset. To illustrate the versatility of OrthoPhyl, we show three use-cases: E. coli/Shigella, Brucella/Ochrobactrum, and the order Rickettsiales. We compare trees generated with OrthoPhyl to trees generated with kSNP3 and GToTree along with published trees using alternative methods. We show that OrthoPhyl trees are consistent with other methods while incorporating more data, allowing for greater numbers of input genomes, and more flexibility of analysis.
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  • 文章类型: Journal Article
    农药投放智能系统的开发在提高农药利用效率和减轻环境风险方面取得了重大进展。在此,提出了一种酸响应性农药递送系统,该系统使用由埃洛石粘土纳米管(HNT)的自组装形成的微球。杀虫剂阿维菌素(AVM)和除草剂prometryn(PMT)被用作疏水性农药的两种模型,并被封装在多孔微球中,然后是单宁酸/铁(TA/FeIII)复合膜的涂层,以产生两种控释农药,被命名为HCEAT和HCEPT,导致AVM和PMT的负载能力分别为113.3和120.3mgg-1。HCEAT和HCEPT都表现出对弱酸的响应性,在pH值为5.5时,24h释放率分别为85.8%和80.5%。实验和仿真结果表明,EDTA2-与Ca2+之间的配位相互作用促进了HNTs的球形聚集。此外,这些新型农药制剂表现出更好的抗紫外线(UV)辐射,较高的叶面亲和力,浸出效果较小,载体材料对植物和陆地生物的影响可以忽略不计。这项工作提出了一种有希望的方法来开发高效和生态友好的农药制剂,为农业的可持续发展做出了巨大贡献。
    The development of smart systems for pesticidal delivery presents a significant advancement in enhancing the utilization efficiency of pesticides and mitigating environmental risks. Here an acid-responsive pesticidal delivery system using microspheres formed by the self-assembly of halloysite clay nanotubes (HNTs) is proposed. Insecticide avermectin (AVM) and herbicide prometryn (PMT) are used as two models of hydrophobic pesticide and encapsulated within the porous microspheres, followed by a coating of tannic acid/iron (TA/FeIII) complex films to generate two controlled-release pesticides, named as HCEAT and HCEPT, resulting in the loading capacity of AVM and PMT being 113.3 and 120.3 mg g-1, respectively. Both HCEAT and HCEPT exhibit responsiveness to weak acid, achieving 24 h-release ratios of 85.8% and 80.5% at a pH of 5.5. The experiment and simulation results indicate that the coordination interaction between EDTA2- and Ca2+ facilitates the spherical aggregation of HNTs. Furthermore, these novel pesticide formulations demonstrate better resistance against ultraviolet (UV) irradiation, higher foliar affinity, and less leaching effect, with negligible impact of the carrier material on plants and terrestrial organisms. This work presents a promising approach toward the development of efficient and eco-friendly pesticide formulations, greatly contributing to the sustainable advancement of agriculture.
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