Molecular dynamics model structures for the molten globule state of {alpha}-lactalbumin: aromatic residue clusters I and II

To model the molten globule structure of -lactalbumin, moleculardynamics (MD) simulations were carried out for the protein inexplicit water at high temperature. In these simulations, long-rangeCoulomb interactions were evaluated explicitly with an originalmethod (particle–particle and particle–cell: PPPC)to avoid artifacts caused by the cut-off. The MD simulationswere started from two initial conditions to verify that similarresults would be obtained. From the last 150 ps trajectoriesof the two MD simulations, two partially unfolded average structureswere obtained. These structures had the following common structuralfeatures which are characteristic of the molten globule state.The radii of gyration for these conformations were 7.4 and 9.6%larger than that of the native state. These values were almostthe same as the experimental value (9.6%) observed recentlyby small-angle X-ray scattering (Kataoka,M., Kuwajima,K., Tokunaga,F.and Goto,Y., 1997, Protein Sci., 6, 422–430). Furthermore,aromatic residues of clusters I and II in these structures werefar apart from each other except for Try103–Trp104. Thisresult is in good agreement with NMR experimental results forthe acid-denatured molten globule state (Alexandrescu et al.,1992, 1993); that is, NOE signals between the aromatic residueswere not observed, except for that of Try103–Trp104 inthe molten globule state. Other structural features of thesemodels for the molten globule state are discussed with referenceto native state structures.     

Prediction of mean square radius of gyration of tree-like polymers by a general kinetic approach

This paper describes a kinetic method to predict the z-average molecular mean square radius of gyration of tree-like polymers formed by irreversible reactions, assuming Gaussian chains. It is based on the population balance equations for the two-sided molecular distributions of pendant chains associated with every chemically distinguishable kind of bonds. An automated method for the solution of those equations is valid both before as well as after gelation for complex kinetic schemes. Examples of its use are presented with polycondensation systems leading to hyperbranched polymers, the anionic polymerization of mono- and divinyl monomers and a radical polymerization with terminal branching and transfer to polymer.     

900/100旋回破碎机排放口工艺的调整

900/100旋回破碎机排放口调整的原工艺是采用热胀冷缩原理进行的,该工艺原始、落后.现使用3台液压油缸,利用液压力替代人力,分解开缝螺帽和螺帽外套,调整排放口.新工艺经济、安全、方便.     

EX220-3型液压挖掘机的回转控制

本文介绍了EX220-3型液压挖掘机回转过程中回转停放制动器的控制与回转缓冲的控制。     

Making Nonwoven Fibrous Poly(ε‐caprolactone) Constructs for Antimicrobial and Tissue Engineering Applications by Pressurized Melt Gyration

A pressurized melt gyration process has been used for the first time to generate poly(ε‐caprolactone) (PCL) fibers. Gyration speed, working pressure, and melt temperature are varied and these parameters influence the fiber diameter and the temperature enabled changing the surface morphology of the fibers. Two types of nonwoven PCL fiber constructs are prepared. First, Ag‐doped PCL is studied for antibacterial activity using Gram‐negative Escherichia coli and Pseudomonas aeruginosa microorganisms. The melt temperature used to make these constructs significantly influences antibacterial activity. Neat PCL nonwoven scaffolds are also prepared and their potential for application in muscular tissue engineering is studied with myoblast cells. Results show significant cell attachment, growth, and proliferation of cells on the scaffolds.

     

Polymer interface changes in electrophoretic deposition

A Monte Carlo computer simulation model for the electrophoretic deposition of polymer chains on a discrete lattice is used to study the polymer density profile, interface growth, and its dependence on field, temperature, and molecular weight. The interface width (W) decreases WE^−1/2 on increasing the field (E). Width (W) depends non-monotonically on the temperature (T): a power-law decay is followed by a power-law increase on raising the temperature. Monotonic decay of the interface width with the molecular weight is possibly a stretched exponential. Conformation and dynamics of a tracer chain is used to probe its characteristics in interface to bulk region. The root mean square (rms) displacement of the center of mass of the tracer chain shows an ultra-slow motion, Rt^ν (ν0.1–0.01 at E=0.1–1.0) as the driven chain moves deeper from interface to bulk. Longitudinal compression of the radius of gyration (R_g) of the chain increases with the field; transverse components (R_gx, R_gy) are larger than the longitudinal component (R_gz). The transverse component (R_gx(y)) becomes oscillatory due to periodic squeezing at high fields as the field competes with the polymer barriers.     

羧甲基纤维素与丙烯酰胺接枝共聚及共聚物的性能

研究了羧甲基纤维素-丙烯酰胺接枝共聚反应。优化反应条件为:单体浓度20%,引发剂用量300m g/L,初始温度40℃,初始pH值8。通过红外光谱分析、热分析、X射线衍射分析对接枝共聚物结构进行了验证,并对接枝共聚物特性黏数和大分子回旋半径进行了研究。实验得出接枝共聚物回旋半径随聚丙烯酰胺回旋半径与羧甲基纤维素回旋半径变化的关系式,同时证明接枝共聚物在特性黏数、抗温及抗盐性质方面均优于羧甲基纤维素和聚丙烯酰胺。     

盾构机吊装安全控制技术研究

盾构机吊装一般采用解体后单件吊装,但单件最大重量仍然在100 t左右,加上在深基坑边缘作业,周边空间又十分狭小,是高风险的作业活动.文章根据苏州近年来较丰富的吊装经验,总结了盾构机吊装的技术与安全控制方法,供生产实践中参考.     

车床主轴回转误差对加工精度的影响

通过分析车床主轴回转误差对加工精度的影响 ,提出了提高车床主轴回转精度应注意的问题。