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国家自然科学基金(20934004)

作品数:12 被引量:10H指数:2
相关作者:章林溪张冬冉诗勇梁好均王蕾更多>>
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发文基金:国家自然科学基金浙江省自然科学基金国家重点基础研究发展计划更多>>
相关领域:理学生物学一般工业技术化学工程更多>>

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12 条 记 录,以下是 1-10
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熵驱动下柱状高分子刷螺旋结构的研究被引量:1
2014年
自然界中广泛存在螺旋结构,在特定情形下熵能驱动高分子链形成螺旋结构.本文采用分子动力学方法研究柱状高分子刷吸附在无限长圆柱表面时的构象行为.发现其构象与嫁接支链条数、柱状高分子刷与圆柱表面之间的吸附能密切相关.在较弱的吸附能下,具有较多支链条数的柱状高分子刷能形成完整的螺旋结构,其本质就是熵驱动下形成的螺旋结构.该研究有助于加深对生物大分子螺旋结构的理解.
邓真渝翁乐纯张冬何林李章林溪
关键词:分子动力学
MICRODOMAIN MORPHOLOGY OF CYLINDER-FORMING DIBLOCK COPOLYMERS UNDER SPHERICAL SHELL CONFINEMENT
2011年
The topic of self-assembly of cylinder-forming diblock copolymers (DBCPs) under spherical shell confinement in different surface fields is explored using real-space self-consistent field theory calculations (SCFT). Using this approach we observed various microstructures of cylinder-forming DBCPs at different confinement dimensions and surface fields. From detailed searching for the microdomain morphologies, an obvious conclusion is that the interactions between the confinement surface and the polymers have a great effect on the self-assembly. Most of the microstructures are unique and not reported in bulk or under planar and cylindrical confinements.
章林溪
关键词:SELF-ASSEMBLY
Processes of DNA condensation induced by multivalent cations: Approximate annealing experiments and molecular dynamics simulations被引量:1
2013年
The condensation of DNA induced by spermine is studied by atomic force microscopy (AFM) and molecular dynamics (MD) simulation in this paper. In our experiments, an equivalent amount of multivalent cations is added to the DNA solutions in different numbers of steps, and we find that the process of DNA condensation strongly depends on the speed of adding cations. That is, the slower the spermine cations are added, the slower the DNA aggregates. The MD and steered molecular dynamics (SMD) simulation results agree well with the experimental results, and the simulation data also show that the more steps of adding multivalent cations there are, the more compact the condensed DNA structure will be. This investigation can help us to control DNA condensation and understand the complicated structures of DNA--cation complexes.
柴爱华冉诗勇张冬蒋杨伟杨光参章林溪
受限于圆柱体内半刚性高分子链的螺旋结构转变
2012年
采用非格点珠簧球链模型,结合Monte Carlo方法,研究了半刚性高分子链受限于无限长圆柱体的构象性质.模拟结果表明:在圆柱体内表面附近具有吸附能的情况下,当弯曲能b由小到大变化时,发现半刚性高分子链由开始时的无规则被吸附在圆柱体内表面,到逐渐出现螺旋结构,最后伸展成类似棒状的结构.同时计算了不同弯曲能b时的半刚性高分子链的平均螺旋数N_t,平均每条链单体的螺旋百分比P_h和能量涨落.发现高分子链螺旋结构的形成与转变,不仅与圆柱体半径R的大小有关,还与弯曲能b的大小有关.研究结果能有助于加深对受限生物大分子构象的认识.
仝焕平章林溪
关键词:CARLO方法
谐振势阱中的布朗运动——磁镊实验与模拟被引量:3
2012年
从磁镊实验和模拟角度研究了处于谐振势阱中的布朗运动.利用实验和模拟的结果验证了理论.然后通过理论与实验的对照,对磁镊实验中DNA分子的持久长度大小对小球位移分布的影响,以及磁镊实验中的测力误差作了相关分析.分析指出:持久长度的变化对沿DNA链方向上的布朗运动影响更大;小的外力作用下力的测量会出现较大误差.
冉诗勇
关键词:谐振势阱DNA
A multi-field approach to DNA condensation
2015年
DNA condensation is an important process in many fields including life sciences, polymer physics, and applied technology. In the nucleus, DNA is condensed into chromosomes. In polymer physics, DNA is treated as a semi-flexible molecule and a polyelectrolyte. Many agents, including multi-valent cations, surfactants, and neutral poor solvents, can cause DNA condensation, also referred to as coil–globule transition. Moreover, DNA condensation has been used for extraction and gene delivery in applied technology. Many physical theories have been presented to elucidate the mechanism underlying DNA condensation, including the counterion correlation theory, the electrostatic zipper theory, and the hydration force theory. Recently several single-molecule studies have focused on DNA condensation, shedding new light on old concepts. In this document, the multi-field concepts and theories related to DNA condensation are introduced and clarified as well as the advances and considerations of single-molecule DNA condensation experiments are introduced.
冉诗勇贾俊丽
关键词:POLYELECTROLYTESINGLE-MOLECULE
Phase behaviour of polyethylene knotted ring chains
2011年
The phase behaviour of polyethylene knotted ring chains is investigated by using molecular dynamics simulations. In this paper, we focus on the collapse of the polyethylene knotted ring chain, and also present the results of linear and ring chains for comparison. At high temperatures, a fully extensive knot structure is observed. The mean-square radius of gyration per bond (S2)/(Nb2) and the shape factor ((δ*) depend on not only the chain length but also the knot type. With temperature decreasing, chain collapse is observed, and the collapse temperature decreases with the chain length increasing. The actual collapse transition can be determined by the specific heat capacity Cv, and the knotted ring chain undergoes gas-liquid-solid-like transition directly. The phase transition of a knotted ring chain is only one-stage collapse, which is different from the polyethylene linear and ring chains. This investigation can provide some insights into the statistical properties of knotted polymer chains.
温晓会章林溪夏阿根陈宏平
半刚性高分子链螺旋结构诱导纳米棒的有序结构
2015年
在自然界中,螺旋结构广泛存在.在熵的驱动下,高分子链能在某些特殊情形下形成螺旋结构.采用分子动力学方法研究了高分子链诱导纳米棒的自组装行为,发现纳米棒/高分子链体系的构象与纳米棒的数量、高分子链的刚性等密切相关.当纳米棒与高分子链之间存在适度吸附能时,纳米棒能够形成三种完全不同的构象,特别是在半刚性高分子链诱导下纳米棒能够形成线型排列.研究结果对新型材料制备具有一定指导意义.
华昀峰张冬章林溪
关键词:纳米棒分子动力学
流场环境下复杂囊泡的动力学行为被引量:1
2015年
采用非平衡态分子动力学方法研究了二维复杂囊泡在剪切流中的动力学行为.模拟发现了复杂囊泡经典的翻滚(tumbling)、摇摆(trembling)和坦克履(tank-treading)行为,还观察到由坦克履行为向平动行为(translating)的转变.囊泡的平动行为与剪切率大小、复杂囊泡的形状密切相关.当大囊泡均匀嫁接较多数目的小囊泡后,其平动方式消失.该研究有益于加深对囊泡在剪切流场中复杂性行为的理解.
邓真渝章林溪
关键词:囊泡剪切流
Translocation of closed polymers through a nanopore under an applied external field被引量:2
2010年
The dynamic behaviours of the translocations of closed circular polymers and closed knotted polymers through a nanopore, under the driving of an applied field, are studied by three-dimensional Langevin dynamics sinmlations. The power-law scaling of the translocation time T with the chain length N and the distribution of translocation time are investigated separately. For closed circular polymers, a crossover scaling of translocation time with chain length is found to be T - N^a with the exponent a varying from a = 0.71 for relatively short chains to a = 1.29 for longer chains under driving force F = 5. The scaling behaviour for longer chains is in good agreement with experimental results, in which the exponent α= 1.27 for the transloeation of double-strand DNA. The distribution of translocation time D(τ) is close to a Gaussian function for duration time τ 〈 τp and follows a falling exponential function for duration time T 〉 wp. For closed knotted polymers, the scaling exponent a is 1.27 for small field force (F = 5) and 1.38 for large field force (F = 10). The distribution of translocation time D(τ) remarkably features two peaks appearing in the case of large driving force. The interesting result of multiple peaks can conduce to the understanding of the influence of the number of strands of polymers in the pore at the same time on translocation dynamic process and scaling property.
江绍钏章林溪夏阿根陈宏平成军
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