What crystals of small analogs are trying to tell us about cellulose structure

The molecular geometries from crystal structures of 23 small molecules such as cellobiose were reviewed and extrapolated to give model cellulose chains. Within a given model, all monosaccharide units and their linkages are identical so the models are regular helices. Despite fairly large ranges for the glycosidic linkage torsion angles and , 29° and 57°, respectively, there is little variation in the n and h parameters of the model helices. They are extended, with h values (the advance per residue along the helix axis) of 5.04–5.27 Å. Some models were slightly right-handed, with n values up to 2.12 residues per helix turn. Left-handed models were in the majority, and their n values were as large as –2.91. These results are consistent with known structures of cellulose and its derivatives. An exception comes from a heavily derivatized cellobiose molecule. It yields right-handed helices with n 4.5 and h 3 Å. Because one half turn of this helix reverses the direction of the chain in a compact region, the linkage geometry is a model for chain-folding. Other derivatives that are unable to form the O3O5 hydrogen bond gave left-handed helices. The puckering of the glucose rings was also surveyed. A number of rings in small molecule structures are puckered to a degree that is similar to the puckering determined for methyl cellotrioside, cellotetraose, cellulose I and cellulose II.     

Molecular structure of simple mono- and diphenyl meso-substituted porphyrin diacids: influence of protonation and substitution on the distorsion

The crystal and molecular structures of three simple porphyrin diacids have been determined from X-ray diffraction data to delineate how the peripheral substituents of the porphyrin affect the overall molecular flexibility. Di-meso-substituted [DPPH₄]²⁺(CF₃CO₂⁻)₂ and, mono-meso-substituted [MPPH₄]²⁺(CF₃CO₂⁻)₂ and [dedmMPPH₄]²⁺(CF₃CO₂⁻)₂ porphyrin diacids show increasingly saddled core conformation. Some of the spectroscopic properties (NMR and UV-visible) of the porphyrin diacids are also discussed in terms of the observed structures.     

Sensing nanomaterials of wearable glucose sensors

The metabolic disorder of glucose in human body will cause diseases such as diabetes and hyperglycemia.Hence the determination of glucose content is very important in clinic diagnosing.In recent years,researchers have proposed various non-invasive wearable sensors for rapid and real-time glucose monitoring from human body fluids.Unlike those reviews which discussed performances,detection environments or substrates of the wearable glucose sensor,this review focuses on the sensing nanomaterials since they are the key elements of most wearable glucose sensors.The sensing nanomaterials such as carbon,metals,and conductive polymers are summarized in detail.And also the structural characteristics of different sensing nanomaterials and the corresponding wearable glucose sensors are highlighted.Finally,we prospect the future development requirements of sensing nanomaterials for wearable glucose sensors.This review would give some insights to the further development of wearable glucose sensors and the modern medical treatment.     

影响多肽与花粉钙调素亲和性的因素──多肽的圆二色性及核磁共振研究

钙调素 ( Ca M)存在于所有真核细胞生物体内 ,它可与很多天然的生物活性肽结合 ,如 β-内啡肽、胰高血糖素和某些昆虫毒液肽等 [1] .有关 Ca M与多肽相互作用的研究普遍认为 ,对 Ca M有高亲和性的多肽应该具有形成α螺旋结构的显著倾向[2 ] .为进一步确认多肽的主链构象对 Ca M亲和能力的影响 ,我们采用圆二色性光谱和核磁共振波谱分析了荞麦花粉碱性十二肽 BPP-1和它的类似物 BPP-3的结构特征 ,配合多肽对花粉钙调素 ( p Ca M)的结合能力 ,发现肽链的可塑性和 C端的极性是影响多肽与 p Ca M亲和能力的因素 ,而形成 α螺旋结构的倾…     

Molecular Dynamics Simulation of Temperature-dependent Flexibility of Thermophilic Xylose Isomerase

构建了嗜热栖热菌木糖异构酶与底物木糖的复合物模型,并运用NAMD2.5软件对其在300 和360 K下进行了10 ns的分子动力学模拟. 对该酶的回旋半径、亚基间相互作用及残基柔性进行了计算与统计分析,确定了该酶在360 K时柔性残基及区域. 研究发现与300 K相比,360 K时木糖异构酶中B-因子增幅较大的残基主要可分为两组：一组位于催化结构域,是由残基55～80组成的helex-loop-helix区域,另一组位于其亚基界面上. 研究表明高温下该酶催化结构域回旋半径增加,可能加速了活性中心的运动从而有利于D-木糖的异构化反应.在360 K时亚基界面上减少了8个氢键和5个离子对,这可能也是高温下其整体结构刚性下降并且活性升高的主要原因,该结果也对文献报道的该酶E372G突变体冷适应的实验现象进行了解释. 研究结果揭示了嗜热栖热菌木糖异构酶温度和结构柔性之间的关系.     

在“高聚物的结构与性能”课程中讲透高聚物的特点

通过对高分子链的柔性、聚合物独有的熵弹性、显著的粘弹性、特有的描述链段运动的WLF方程,可能实现的大尺寸取向和小尺寸解取向、银纹、单链凝聚态、折叠链片晶和伸直链晶体、分子量的多分散性、高分子溶液特性和高聚物熔体的弹性行为等的讨论,希望能突出“高聚物的结构与性能”课程中高聚物的特点。     

Long range correlation of hydrophilicity and flexibility along the calcium binding protein chains

Long range correlation concerning hydrophilicity and flexibility along a number of 80 calcium binding protein sequences is confirmed by using spectral analysis and detrended fluctuations analysis methods, as well as by Hurst exponent calculations. There are no significant differences between the correlation properties concerning these properties for the two structural subfamilies, extended and compact, of the calcium binding proteins and they are also similar with the correlation properties revealed by other investigated proteins. This result sustains the hypothesis that the long range correlation of hydrophilicity and flexibility along the chain is a common feature of proteins.     

An economic evaluation model of supply chain flexibility

With the advent of the supply chain management concepts, business communities have been realizing that being competitive as a single company is no longer adequate; instead, competitiveness requires consideration of all channels in the supply chain. Despite its importance, the availability of the literature addressing supply chain flexibility is still limited to date. Although relationships between various types of flexibilities have been established, the degree to which one type of flexibility affects the other types and the system performance remains to be investigated. In particular, there is a lack of rigorous analytical models elucidating the relationships between the degree of flexibility in a system and the system level of performance. In this paper, a supply chain flexibility model is developed comprising labor flexibility, machine flexibility, routing flexibility, and information technology, with total system flexibility measured by an economic index. Outputs from the model can assist in making suitable production decisions to produce multiple products under an uncertain environment. Example solutions are given. This paper can help economic evaluation when supply chain flexibility and the factors affecting flexibility are to be improved. It can also assist in making supply chain flexibility-promotion decisions.     

碳纳米管透明导电薄膜的可控制备

碳纳米管具有优秀的导电性能、 透光性能和十分突出的柔性, 在柔性透明导电薄膜中有着良好的应用前景. 如何制备同时拥有良好导电性能和透光性能的碳纳米管薄膜是这一领域研究的核心问题. 本综述介绍了碳纳米管薄膜的制备方法, 并重点讨论了基于漂浮催化剂化学气相沉积法的碳纳米管薄膜的可控制备. 在生长过程中限制碳纳米管的团聚、 增加碳纳米管的长度、 降低杂质的含量是提高碳纳米管薄膜性能的主要策略.     

Shallow Flows Over a Permeable Medium: The Hydrodynamics of Submerged Aquatic Canopies

Aquatic flow over a submerged vegetation canopy is a ubiquitous example of flow adjacent to a permeable medium. Aquatic canopy flows, however, have two important distinguishing features. Firstly, submerged vegetation typically grows in shallow regions. Consequently, the roughness sublayer, the region where the drag length scale of the canopy is dynamically important, can often encompass the entire flow depth. In such shallow flows, vortices generated by the inflectional velocity profile are the dominant mixing mechanism. Vertical transport across the canopy–water interface occurs over a narrow frequency range centered around f _v (the frequency of vortex passage), with the vortices responsible for more than three-quarters of the interfacial flux. Secondly, submerged canopies are typically flexible, coupling the motion of the fluid and canopy. Importantly, flexible canopies can exhibit a coherent waving (the monami) in response to vortex passage. This waving reduces canopy drag, allowing greater in-canopy velocities and turbulent stresses. As a result, the waving of an experimental canopy reduces the canopy residence time by a factor of four. Finally, the length required for the set-up and full development of mixing-layer-type canopy flow is investigated. This distance, which scales upon the drag length scale, can be of the same order as the length of the canopy. In several flows adjacent to permeable media (such as urban canopies and reef systems), patchiness of the medium is common such that the fully developed condition may not be representative of the flow as a whole. This paper has previously been published in Transp Porous Med (2009) 78: 309–326; DOI .