ASE-SPE/GC-MS/MS同时测定海洋沉积物中71种农药残留

建立了快速溶剂萃取(ASE)-固相萃取(SPE)/气相色谱-三重四极杆串联质谱同时测定海洋沉积物中71种农药残留的方法。结果表明,ASE的最佳萃取条件为:温度100℃,静态时间5 min,循环1次。在此条件下,样品经正己烷-丙酮(1∶1)萃取,石墨化碳柱净化,多离子反应监测(MRM)模式测定,各种农药在1.0~500.0μg·L-1范围内线性关系良好(r2>0.99),方法的检出限(LOD,3σ)为0.29~108.43μg·kg-1。空白样品在100μg·kg-1加标水平下的回收率为51.3%~104.6%,相对标准偏差(n=6)为0.1%~13.5%。应用建立的方法,对实际样品进行分析,共检测出31种农药。     

Surface-field-induced effects on morphologies of lamella-forming diblock copolymers in nanorod arrays

The surface-induced effect on the morphologies of lamella-forming diblock copolymers in nanorod arrays is studied by using the self-consistent field theory.In the simulation study,a rich variety of novel morphologies are observed by variations in the strength of the surface field for the diblock copolymers.Different surface-field-induced effects are examined for the diblock copolymers in the arrays with distinct preferential surfaces.It is observed that the majority-block preferential surfaces have more obvious induced effects than those of minority-block preferential surfaces.The strong surface fields exhibit different behaviours from those observed in the weak surface fields,by which the morphologies possess cylindrical symmetries.Results from this research deepen the knowledge of surface-induced effects in a confinement system,which may aid the fabrication of polymer-based nanomaterials.     

蛋白质三级结构对蛋白质内部形成紧密接触对速率的影响

通过蛋白质分子内两残基间距的概率分布函数P（r），计算了641个蛋白质分子内近程和远程紧密接触对的形成速率．分析了不同蛋白质结构，不同紧密接触对半径以及DNA的绑定对速率的影响．结果表明：不同结构类型蛋白近程和远程紧密接触对的形成速率的变化趋势恰好相反．近程紧密接触对的形成速率ks随着n（n≡｜j—i｜）的增大而增大，远程紧密接触对的形成速率kL随着n的增大而减小，并且远程紧密接触对的形成速率AL满足AL（n）∝^-γ的关系、γ值随着紧密接触对半径α的增大而变小，当α=0．6nm时，全α蛋白的γ值等于0．382，α/β蛋白的γ值等于0．343，全β和α＋β蛋白的γ值等于0．218．DNA的绑定使蛋白质分子内近程和远程紧密接触对的形成速率都减小．     

Dynamic scaling of migration-driven aggregate growth

We study the kinetic behaviour of the growth of aggregates driven by reversible migration between any two aggregates. For a simple model with the migration rate K(i;j)=K′(i;j)∝i^uj^v at which the monomers migrate from the aggregates of size i to those of size j, we find that the aggregate size distribution in the system with u+v≤3 and u<2 approaches a conventional scaling form, which reduces to the Smoluchovski form in the u=1 case. On the other hand, for the system with u<2, the average aggregate size S(t) grows exponentially in the u+v=3 case and as (tlnt)^{1/(5-2u)} in another special case of v=u-2. Moreover, this typical size S(t) grows as t^{1/(3-u-v)} in the general u-2相似文献   

Structural statistical properties of knotted proteins

The composition and residue-residue interactions of knotted proteins, compared with those of other proteins, can provide considerable insight into the driver of the knots in proteins. In this paper, we calculate the probabilities of 20 amino acids in 273 knotted entries from the Protein Data Bank (PDB). The collection of 273 entries contains all knotted structures in the PDB, and it is not a subset. With an appropriate value of Rc, the numbers of all residue-residue contacts are counted in all 273 knotted structures. To make an accurate comparison, we count up to 9000 other entries from the PDB as well, and these entries spread over all sorts. In knotted structures, Leu occupies a maximal proportion of 9.62% among all 20 amino acids, and Leu, Phe, Trp, Gly, His, Gln, Asp, Lys and Pro may all play a more important role. Also, we analyse the effects of amino acid residues on the long-range contacts. We observe a larger average number of long-range contacts in the knotted structures than that in other ones, implying their important role in achieving the knots. Accordingly, the average number of short-range contacts becomes small when the structure becomes knotted because it depends mainly on the short-haul sequence of amino acids to form the short-range contact. In addition, the shape distribution of knotted proteins and the contrast with the other proteins are also presented. A comparison shows that the knots may make structures more globular because the average shape factor is 0.059 for the knotted proteins, which is only about 1/3 of the average shape factor for the other proteins.     

Dynamics of aggregation－annihilation process with cluster removals

We have studied the kinetic behaviours of irreversible aggregation－annihilation models with cluster removals. In the models, an irreversible aggregation reaction occurs between any two clusters of the same species and an irreversible annihilation reaction occurs simultaneously between two different species; meanwhile, the clusters of large size are gradually removed from the system. In a mean-field limit, we obtain the general solutions of the cluster-mass distributions for the cases with an arbitrary removal probability. We found that the cluster-mass distribution of either species satisfies a generalized or modified scaling form. The results also indicate that the evolution behaviours of the systems depend strongly on the details of the reaction events.     

二维蛋白质分子的热力学性质研究

采用二维正方形格点模型 ,用完全计算法研究了蛋白质分子的热力学性质 .发现体系的配分函数 Z与链长 N存在关系 :ln Z=a N + b,其中 a,b仅与温度、相互作用有关 .总简并度 g0 (m)与链长 N存在关系 :g0 (m) =a· γN ,其中 a=0 .0 9,γ=2 .72 .同时计算了蛋白质分子在自然状态构象间的平均距离 ,发现当链长 N较大时 ,平均距离趋于 1.6 7.这为研究真实蛋白质分子的热力学性质提供了一种模型和方法     

基于哈密顿因子的蛋白质结构类研究

应用图论的哈密顿路模型研究了蛋白质结构类型,统计来自PDB的α型、β型、α+β型、α/β型单链蛋白质结构的哈密顿因子并进行方差分析,统计结果表明蛋白质结构不同类型的哈密顿因子存在显著差异,p值为0.0313.研究为蛋白质结构类研究提供了新的思路.