supramolecular structures

  • 文章类型: Journal Article
    液晶已广泛用于各种应用,如光电器件,生物医学应用,传感器和生物传感器,和包装,在其他人中。液晶聚合物是液晶材料的一种,将其固有特性与聚合物柔性相结合,用于显示器和智能材料的高级应用。例如,液晶聚合物可以作为药物纳米载体,形成立方或六方中间相,可以为控制药物释放量身定做。液晶和液晶聚合物的进一步应用包括制备用于分离过程的膜,如废水处理。此外,这些材料由于其广泛类型的中间相可用作燃料电池或锂电池的离子导电膜。这篇综述旨在提供液晶和液晶聚合物的整体解释和分类。此外,这些材料的巨大潜力依赖于它们广泛的应用,这是由它们独特的属性决定的。此外,这项研究提供了液晶聚合物基膜及其应用的最新进展,特别关注燃料电池。此外,强调了各种液晶应用的未来方向。
    Liquid crystals have been extensively used in various applications, such as optoelectronic devices, biomedical applications, sensors and biosensors, and packaging, among others. Liquid crystal polymers are one type of liquid crystal material, combining their intrinsic properties with polymeric flexibility for advanced applications in displays and smart materials. For instance, liquid crystal polymers can serve as drug nanocarriers, forming cubic or hexagonal mesophases, which can be tailored for controlled drug release. Further applications of liquid crystals and liquid crystal polymers include the preparation of membranes for separation processes, such as wastewater treatment. Furthermore, these materials can be used as ion-conducting membranes for fuel cells or lithium batteries due to their broad types of mesophases. This review aims to provide an overall explanation and classification of liquid crystals and liquid crystal polymers. Furthermore, the great potential of these materials relies on their broad range of applications, which are determined by their unique properties. Moreover, this study provides the latest advances in liquid crystal polymer-based membranes and their applications, focusing especially on fuel cells. Moreover, future directions in the applications of various liquid crystals are highlighted.
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  • 文章类型: Journal Article
    环肽(CP)和自组装环肽纳米管(SCPNs)的研究对于推进生物医学等各个领域的应用至关重要。纳米电子学,和催化。认识到这些分子的实验研究的局限性,本文介绍了CYCLOPEpBuilder,一个全面的基于Web的应用程序,旨在促进设计,模拟,以及CP和SCPN的可视化。该工具用于生成分子拓扑,对于进行全原子到粗晶粒分辨率的分子动力学模拟至关重要。CYCLOPEpBuilder的友好用户界面简化了分子建模的复杂过程,为研究人员提供容易构建CP和SCPN的能力。该平台用途广泛,装备有各种力场,并且能够产生从单个CP到具有不同序列的复杂SCPN的结构,在它们之间提供平行和反平行的方向。通过增强分子组装的详细可视化能力,CYCLOPEpBuilder提高了对CP和SCPN分子相互作用的理解。这个工具是在普及复杂模拟方面向前迈出的一步,为从事超分子结构探索的科学界提供了宝贵的资源。可以在http://cyclope.com/上访问CYCLOPEp。
    The study of cyclic peptides (CPs) and self-assembling cyclic peptide nanotubes (SCPNs) is pivotal in advancing applications in diverse fields such as biomedicine, nanoelectronics, and catalysis. Recognizing the limitations in the experimental study of these molecules, this article introduces CYCLOPEp Builder, a comprehensive web-based application designed to facilitate the design, simulation, and visualization of CPs and SCPNs. The tool is engineered to generate molecular topologies, essential for conducting Molecular Dynamics simulations that span All-Atom to Coarse-Grain resolutions. CYCLOPEp Builder\'s user-friendly interface simplifies the complex process of molecular modeling, providing researchers with the ability to readily construct CPs and SCPNs. The platform is versatile, equipped with various force fields, and capable of producing structures ranging from individual CPs to complex SCPNs with different sequences, offering parallel and antiparallel orientations among them. By enhancing the capacity for detailed visualization of molecular assemblies, CYCLOPEp Builder improves the understanding of CP and SCPN molecular interactions. This tool is a step forward in democratizing access to sophisticated simulations, offering an invaluable resource to the scientific community engaged in the exploration of supramolecular structures. CYCLOPEp is accessible at http://cyclopep.com/.
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  • 文章类型: Journal Article
    细菌免疫系统的研究最近获得了势头,揭示了一个迷人的趋势:许多系统形成大型超分子组装体。这里,我们研究了支撑这些结构进化成功的潜在机制,与真核免疫相似,并提供新的观点来刺激未来对细菌免疫的研究。
    The study of bacterial immune systems has recently gained momentum, revealing a fascinating trend: many systems form large supramolecular assemblies. Here, we examine the potential mechanisms underpinning the evolutionary success of these structures, draw parallels to eukaryotic immunity, and offer fresh perspectives to stimulate future research into bacterial immunity.
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  • 文章类型: Journal Article
    将纳米粒子构建块的自组装控制为宏观软物质结构是一个悬而未决的问题,对于纳米医学和下一代能量存储等领域具有根本重要性。在巨大的纳米粒子库中,富勒烯是一类准球形碳同素异形体,C60.在这里,证明了一种简便的一锅法可用于功能化不同大小的富勒烯(C60,C70,C84和C90-92),产生在水溶液中自组装成具有不同分层结构的超分子水凝胶的衍生物。表明,这些所得结构的机械性能根据起始材料而急剧变化。这项工作为通过调整纳米级构建块来寻求控制宏观软物质结构开辟了新途径。
    Controlling the self-assembly of nanoparticle building blocks into macroscale soft matter structures is an open question and of fundamental importance to fields as diverse as nanomedicine and next-generation energy storage. Within the vast library of nanoparticles, the fullerenes-a family of quasi-spherical carbon allotropes-are not explored beyond the most common, C60. Herein, a facile one-pot method is demonstrated for functionalizing fullerenes of different sizes (C60, C70, C84, and C90-92), yielding derivatives that self-assemble in aqueous solution into supramolecular hydrogels with distinct hierarchical structures. It is shown that the mechanical properties of these resultant structures vary drastically depending on the starting material. This work opens new avenues in the search for control of macroscale soft matter structures through tuning of nanoscale building blocks.
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  • 文章类型: Journal Article
    本文分析了氢键和超分子结构在酶催化和模型系统中的作用。氢键在许多酶促反应中起着至关重要的作用。然而,直到最近,科学家们才试图在均相催化体系中利用氢键的力量。最新的方向之一与通过影响金属络合物的“第二配位球”来控制催化剂性能的尝试有关。H键的作用,以及由于分子间H键而建立稳定的超分子纳米结构,通过AFM(原子力显微镜)方法评估了在烃氧化过程中形成的催化活性杂铁(Fe)或镍(Ni)配合物,这是本手稿的作者提出和应用的。本文还讨论了氢键和超分子结构在杂配体Ni和Fe配合物催化的氧化反应中的作用,它们不仅是有效的均相催化剂,而且是氧化酶的结构和功能模型。
    The article analyzes the role of hydrogen bonds and supramolecular structures in enzyme catalysis and model systems. Hydrogen bonds play a crucial role in many enzymatic reactions. However, scientists have only recently attempted to harness the power of hydrogen bonds in homogeneous catalytic systems. One of the newest directions is associated with attempts to control the properties of catalysts by influencing the \"second coordination sphere\" of metal complexes. The role H-bonding, and the building of stable supramolecular nanostructures due to intermolecular H-bonds, based on catalytic active heteroligand iron (Fe) or nickel (Ni) complexes formed during hydrocarbon oxidations were assessed via the AFM (Atomic-force microscopy) method, which was proposed and applied by authors of this manuscript. Th is article also discusses the roles of hydrogen bonds and supramolecular structures in oxidation reactions catalyzed by heteroligand Ni and Fe complexes, which are not only effective homogeneous catalysts but also structural and functional models of Oxygenases.
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  • 文章类型: Journal Article
    内毒素或脂多糖(LPS),在革兰氏阴性细菌细胞壁的外膜中发现,可以刺激人类先天免疫系统,导致危及生命的症状.因此,内毒素含量的监管限值适用于可注射药物,和过量的LPS必须在商业化之前去除。大多数可用的内毒素去除系统是基于LPS对带电和/或疏水表面的非特异性吸附。尽管有效去除内毒素,缺乏特异性可导致从药物制剂中不必要的必需蛋白的损失。在这项工作中,我们开发了与抗脂质A抗体缀合的微粒用于选择性去除内毒素。使用流式细胞术和显微镜技术表征抗脂质A颗粒。这些颗粒表现出>6×103内毒素单位/mg颗粒从水中消耗的能力,如通过两种独立的方法(Limulus细胞裂解物测试和纳米颗粒追踪分析)所确定的。此外,我们将这些颗粒与非特异性内毒素去除系统在一系列日益复杂的制剂中进行了比较:牛血清白蛋白在水中<胰岛素在缓冲液中<桦树花粉提取物。我们证明了特异性抗脂质A颗粒显示出更高的蛋白质回收率,而不会损害其内毒素去除能力。因此,我们相信,通过抗脂质A抗体整合的特异性层可能有利于提高产品产量。
    Endotoxins or lipopolysaccharides (LPS), found in the outer membrane of Gram-negative bacterial cell walls, can stimulate the human innate immune system, leading to life-threatening symptoms. Therefore, regulatory limits for endotoxin content apply to injectable pharmaceuticals, and excess LPS must be removed before commercialization. The majority of available endotoxin removal systems are based on the non-specific adsorption of LPS to charged and/or hydrophobic surfaces. Albeit effective to remove endotoxins, the lack of specificity can result in the unwanted loss of essential proteins from the pharmaceutical formulation. In this work, we developed microparticles conjugated to anti-Lipid A antibodies for selective endotoxin removal. Anti-Lipid A particles were characterized using flow cytometry and microscopy techniques. These particles exhibited a depletion capacity > 6 ×103 endotoxin units/mg particles from water, as determined with two independent methods (Limulus Amebocyte Lysate test and nanoparticle tracking analysis). Additionally, we compared these particles with a non-specific endotoxin removal system in a series of formulations of increasing complexity: bovine serum albumin in water < insulin in buffer < birch pollen extracts. We demonstrated that the specific anti-Lipid A particles show a higher protein recovery without compromising their endotoxin removal capacity. Consequently, we believe that the specificity layer integrated by the anti-Lipid A antibody could be advantageous to enhance product yield.
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  • 文章类型: Journal Article
    在我们目前的工作中,我们已经开发了一个支持的1-棕榈酰-2-油酰基-sn-甘油-3-磷酸胆碱(POPC)双层与嵌入血红蛋白,通过洗涤剂介导的方法重建。显微镜研究表明,血红蛋白分子可以在没有任何标记试剂的情况下可视化。重构的蛋白质自身组装成超分子结构以适应脂质双层环境。非离子洗涤剂,用于插入血红蛋白的正辛基-β-d-葡萄糖苷(NOG)在这些结构的形成中起重要作用。当浓度的脂质,蛋白质和洗涤剂增加了四倍,我们通过蛋白质-蛋白质组装观察到双层内蛋白质分子的相分离。这种相分离过程表现出极其缓慢的动力学,以形成大的稳定区域,其相关时间约为数分钟。共聚焦Z扫描图像显示这些超分子结构产生膜畸形。UV-Vis,荧光和圆二色性(CD)测量表明微小的结构变化以暴露蛋白质的疏水区域以调节脂质环境的疏水应力,而小角度中子散射(SANS)结果表明血红蛋白分子在系统中保持其整体四聚体形式。总之,我们声明,这项调查使我们能够密切检查一些罕见但值得注意的现象,如超分子结构的形成,大畴形成和膜变形等。
    In our current work we have developed a supported 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) bilayer with embedded hemoglobin, reconstituted via detergent-mediated method. Microscopic studies revealed that the hemoglobin molecules could be visualized without any labelling agents. The reconstituted proteins assemble themselves as supramolecular structures to adapt to lipid bilayer environment. The nonionic detergent, n-octyl-β-d-glucoside (NOG) used for insertion of hemoglobin played an important role in formation of these structures. When concentrations of lipid, protein and detergent were raised by four folds, we observed phase separation by protein molecules within bilayer via protein-protein assembly. This phase separation process exhibited extremely slow kinetics to form large stable domains with correlation times in the order of minutes. Confocal Z-scanning images showed that these supramolecular structures generated membrane deformities. UV-Vis, Fluorescence and Circular Dichroism (CD) measurement indicated minor structural change to expose the hydrophobic regions of the protein to adjust the hydrophobic stress of the lipid environment whilst Small Angle Neutron Scattering (SANS) results indicated that the hemoglobin molecules retained their overall tetrameric form in the system. In conclusion, we state that this investigation allowed us to closely inspect some rare but noteworthy phenomena like the formation of supramolecular structures, large domain formation and membrane deformation etc.
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  • 文章类型: Journal Article
    It has recently been shown that the titer of the SARS-CoV-2 virus decreases in a cell culture when the cell suspension is irradiated with electromagnetic waves at a frequency of 95 GHz. We assumed that a frequency range in the gigahertz and sub-terahertz ranges was one of the key aspects in the \"tuning\" of flickering dipoles in the dispersion interaction process of the surfaces of supramolecular structures. To verify this assumption, the intrinsic thermal radio emission in the gigahertz range of the following nanoparticles was studied: virus-like particles (VLP) of SARS-CoV-2 and rotavirus A, monoclonal antibodies to various RBD epitopes of SARS-CoV-2, interferon-α, antibodies to interferon-γ, humic-fulvic acids, and silver proteinate. At 37 °C or when activated by light with λ = 412 nm, these particles all demonstrated an increased (by two orders of magnitude compared to the background) level of electromagnetic radiation in the microwave range. The thermal radio emission flux density specifically depended on the type of nanoparticles, their concentration, and the method of their activation. The thermal radio emission flux density was capable of reaching 20 μW/(m2 sr). The thermal radio emission significantly exceeded the background only for nanoparticles with a complex surface shape (nonconvex polyhedra), while the thermal radio emission from spherical nanoparticles (latex spheres, serum albumin, and micelles) did not differ from the background. The spectral range of the emission apparently exceeded the frequencies of the Ka band (above 30 GHz). It was assumed that the complex shape of the nanoparticles contributed to the formation of temporary dipoles which, at a distance of up to 100 nm and due to the formation of an ultrahigh strength field, led to the formation of plasma-like surface regions that acted as emitters in the millimeter range. Such a mechanism makes it possible to explain many phenomena of the biological activity of nanoparticles, including the antibacterial properties of surfaces.
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  • 文章类型: Journal Article
    与相应的单组分体系相比,多组分超分子体系可用于实现不同的性能和新行为。这里,我们使用两组分系统,表明非胶凝组分改变了胶凝组分的组装,允许接近不能单独由胶凝组分形成的共组装结构。我们描述了跨多个长度尺度的系统,从分子水平通过核磁共振和CD光谱,通过SANS达到微观结构水平,最后使用纳米压痕和流变学达到材料水平。通过利用通过添加第二组分而获得的增强的机械性能,我们形成的多组分面条具有优于单组分体系形成的机械性能。此外,可以触发非胶凝组分在多组分面条内结晶,让我们准备新类型的分层复合面条。本文受版权保护。保留所有权利。
    Multicomponent supramolecular systems can be used to achieve different properties and new behaviors compared to their corresponding single component systems. Here, a two-component system is used, showing that a non-gelling component modifies the assembly of the gelling component, allowing access to co-assembled structures that cannot be formed from the gelling component alone. The systems are characterized across multiple length scales, from the molecular level by NMR and CD spectroscopy to the microstructure level by SANS and finally to the material level using nanoindentation and rheology. By exploiting the enhanced mechanical properties achieved through addition of the second component, multicomponent noodles are formed with superior mechanical properties to those formed by the single-component system. Furthermore, the non-gelling component can be triggered to crystallize within the multicomponent noodles, allowing the preparation of new types of hierarchical composite noodles.
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  • 文章类型: Journal Article
    基于有机染料的生物相容性发光体,具有对溶剂化介质的特性高度敏感的荧光特性,特别感兴趣的是高度敏感,选择性,和易于使用的分析剂。我们发现BODIPY二聚体(2,2\'-,2,3'-3,3'-CH2-bis(BODIPY)(1-3))显示出荧光特性,对极性溶剂的存在具有很高的敏感性。1-3在非极性/低极性溶剂中的强烈荧光在极性介质(丙酮,DMF,和DMSO)。已经确定,CH2-bis(BODIPY)荧光猝灭的主要原因是供电子分子(Solv)对染料的特定溶剂化,并形成稳定的超分子CH2-bis(BODIPY)·2Solv结构。使用稳态吸收和荧光光谱,时间分辨荧光光谱,和计算建模,形成机制,composition,CH2-bis(BODIPY)·2Solv超分子配合物的结构得到证实,并对其稳定性进行了评估。结果表明,有望开发基于CH2-bis(BODIPY)的荧光探针,以检测溶液中有毒的含N/O化合物。
    Biocompatible luminophores based on organic dyes, which have fluorescence characteristics that are highly sensitive to the properties of the solvating medium, are of particular interest as highly sensitive, selective, and easy-to-use analytical agents. We found that BODIPY dimers (2,2\'-, 2,3\'-3,3\'-CH2-bis(BODIPY) (1-3)) demonstrate fluorescence characteristics with a high sensitivity to the presence of polar solvents. The intense fluorescence of 1-3 in nonpolar/low-polarity solvents is dramatically quenched in polar media (acetone, DMF, and DMSO). It has been established that the main reason for CH2-bis(BODIPY) fluorescence quenching is the specific solvation of dyes by electron-donating molecules (Solv) with the formation of stable supramolecular CH2-bis(BODIPY)·2Solv structures. Using steady-state absorption and fluorescence spectroscopy, time-resolved fluorescence spectroscopy, and computational modeling, the formation mechanism, composition, and structure of CH2-bis(BODIPY)·2Solv supramolecular complexes have been substantiated, and their stability has been evaluated. The results show the promise of developing fluorescent probes based on CH2-bis(BODIPY)s for detecting toxic N/O-containing compounds in solutions.
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