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桑蚕丝蛋白的聚丙烯酰胺凝胶电泳研究 Ⅰ.丝蛋白的非解离和解离系统电泳 被引量:3
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作者 封云芳 陈碧源 许红燕 《浙江丝绸工学院学报》 1991年第4期6-10,共5页
本文用聚丙烯酰胺凝脉电泳法(PAGE),对桑蚕绢丝腺蛋白和茧丝蛋白进行了研究。测定了主要谱带的分子量,并进行了讨论。
关键词 桑蚕丝蛋白 分子量 聚丙烯酰胺 凝胶电泳 非解离 解离系统电泳 PAGE
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O^3+与H2碰撞中非解离电荷转移过程的全量子计算 被引量:1
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作者 吴勇 刘玲 王建国 《物理学报》 SCIE EI CAS CSCD 北大核心 2008年第2期947-956,共10页
应用全量子的分子轨道强耦合方法,研究了基态的O3+(2s22p2P)与氢分子碰撞的非解离电荷转移过程,计算了不同方位角(25°,45°,89°),能量分别为100,500,1000和5000eV/u时的单电子俘获的振动分辨的态选择截面及相应的微分截面... 应用全量子的分子轨道强耦合方法,研究了基态的O3+(2s22p2P)与氢分子碰撞的非解离电荷转移过程,计算了不同方位角(25°,45°,89°),能量分别为100,500,1000和5000eV/u时的单电子俘获的振动分辨的态选择截面及相应的微分截面.分子轨道强耦合计算中采用了自旋耦合价带理论计算的三原子分子势能面和径向耦合矩阵元.对氢分子的自身转动,采用无限阶的冲量近似方法;对体系的电子运动同H2或H2+的振动之间的耦合,采用了振动冲量近似.结果发现,对不同的入射能量,振动态选择截面随振动量子数的分布发生了一定的改变;不同入射能量和不同方位角的振动态分辨的微分截面具有类似的结构,在极小的散射角附近出现一个最大值平台,然后散射截面随着散射角的增大而减小,并出现大量的震荡结构,其中第一个震荡结构对应的散射角位置随入射能量Ep以Ep-1/2的标度规律变化;微分截面的结构和大小对H2方位角α的变化敏感,这种性质为H2取向的诊断提供了一种可能的途径. 展开更多
关键词 非解离电荷转移过程 全量子的分子轨道强耦合方法 无限阶冲量近似 振动冲量近似
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氨合成反应非解离机理的Monte Carlo模拟
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作者 曾健青 《计算机与应用化学》 CAS CSCD 1998年第2期81-84,共4页
用MonteCarlo方法对氨合成反应的非解离机理进行了模拟,模拟结果表明,当氨合成反应按非解离机理进行时,将不存在动力学相变和反应速率的自振荡现象;模拟得到的反应速率随反应物分压的变化规律与理论推导结果完全一致.
关键词 氨合成 MONTE Carlo 模拟 非解离机理
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酚类污染物解离态与非解离态光解特性及其速率常数的预测 被引量:5
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作者 张燕 张耀斌 +1 位作者 赵慧敏 全燮 《环境科学》 EI CAS CSCD 北大核心 2010年第3期720-724,共5页
以氙灯为光源模拟太阳光,通过研究不同pH条件下3种酚类污染物直接光解的过程,探讨了酚类污染物的解离对其光解规律的影响,并建立了解离态与非解离态酚类污染物光解速率常数的计算方法及预测模式.结果表明,随着pH从4.0增加到9.0,五氯酚... 以氙灯为光源模拟太阳光,通过研究不同pH条件下3种酚类污染物直接光解的过程,探讨了酚类污染物的解离对其光解规律的影响,并建立了解离态与非解离态酚类污染物光解速率常数的计算方法及预测模式.结果表明,随着pH从4.0增加到9.0,五氯酚的光解速率常数随之从25.30×10-4min-1增加到82.90×10-4min-1,而对硝基酚的光解速率常数相应从11.90×10-4min-1降低到了3.18×10-4min-1.苯酚的光解趋势与对硝基酚相似,当pH从4.0增加到11.0时,其光解速率常数依次从32.50×10-4min-1降低至13.40×10-4min-1.3种酚类化合物的光解总速率常数与解离度之间均满足幂函数变化规律.任意解离度条件下的解离态和非解离态光解速率常数,可根据幂函数的切线方程来确定.解离对酚类物质降解规律的影响主要是通过氧负离子的形成,改变苯环以及其他取代基团的活性而造成的.该研究结果为进一步了解天然水环境中酚类污染物的环境行为提供了理论参考. 展开更多
关键词 酚类化合物 直接光解 解离 非解离
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二氯甲醛的光解离反应——三体协同非同步解离机理的第一个理论证据 被引量:2
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作者 王郁文 李全松 +1 位作者 陈雪波 方维海 《化学学报》 SCIE CAS CSCD 北大核心 2003年第9期1343-1345,共3页
用CASSCF以及B3LYP和MP2从头算方法 ,研究了Cl2 CO的基态 ,最低激发单态和三态S0 ,S1,T1的势能剖面 .结果表明 ,Cl2 CO光分解为Cl+Cl+CO ,这一反应是通过协同非同步的机理实现的 .就目前所知 ,本研究关于二氯甲醛光解离反应的研究提供... 用CASSCF以及B3LYP和MP2从头算方法 ,研究了Cl2 CO的基态 ,最低激发单态和三态S0 ,S1,T1的势能剖面 .结果表明 ,Cl2 CO光分解为Cl+Cl+CO ,这一反应是通过协同非同步的机理实现的 .就目前所知 ,本研究关于二氯甲醛光解离反应的研究提供了三体协同非同步解离的第一个理论证据 . 展开更多
关键词 二氯甲醛 解离反应 三体协同同步解离 解离机理 理论证据 从头计算
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染料分子固定基团-CN,-NH_2,-OH,-COOH,-SH在ZnO(10(1|ˉ) 0)表面吸附
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作者 李汝虎 王红艳 +2 位作者 刘其军 谌晓洪 黄整 《原子与分子物理学报》 CAS CSCD 北大核心 2014年第2期292-298,共7页
采用基于第一性原理的密度泛函理论系统研究了染料分子中的-CN,-NH2,-OH,-COOH和-SH这5种固定基团在ZnO(10-1 0)表面的吸附,分析了它们在ZnO(10-1 0)表面上的吸附机制.结果表明:5种基团在ZnO(10-1 0)表面都发生了化学吸附,其中-CN、-NH2... 采用基于第一性原理的密度泛函理论系统研究了染料分子中的-CN,-NH2,-OH,-COOH和-SH这5种固定基团在ZnO(10-1 0)表面的吸附,分析了它们在ZnO(10-1 0)表面上的吸附机制.结果表明:5种基团在ZnO(10-1 0)表面都发生了化学吸附,其中-CN、-NH2和-OH发生了非解离吸附,-COOH和-SH则是表面解离吸附.5种固定基团的吸附能分别是:-0.64eV,-1.28eV,-1.03eV,-1.21eV(-1.40eV)和-1.14eV.综上所述,以-COOH为固定基团的染料分子制备的染料敏化太阳能电池(DSSCs)具有更稳定的性能,这为ZnO染料敏化太阳能电池的设计和应用提供了理论基础. 展开更多
关键词 固定基团 ZNO 解离吸附 非解离吸附 吸附能
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类肝素化合物的傅立叶变换离子回旋共振-电喷雾质谱研究 被引量:5
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作者 闫存玉 俞飚 +3 位作者 刘淑莹 崔勐 宋凤瑞 刘志强 《分析化学》 SCIE CAS CSCD 北大核心 2008年第7期910-914,共5页
采用负离子模式的电喷雾傅立叶变换离子回旋共振质谱(ESI-FTICR-MS)对3个合成的肝素类化合物DHα、THα和THβ进行了全扫描一级谱和持续非共振辐照碰撞诱导解离(SORI-CID)串联质谱分析。样品浓度10μmol/L,流动泵注射直接进样。化合物... 采用负离子模式的电喷雾傅立叶变换离子回旋共振质谱(ESI-FTICR-MS)对3个合成的肝素类化合物DHα、THα和THβ进行了全扫描一级谱和持续非共振辐照碰撞诱导解离(SORI-CID)串联质谱分析。样品浓度10μmol/L,流动泵注射直接进样。化合物中的磺酸胺和磺酸酯结构容易在一般电喷雾条件下发生分解,失去一个或者多个SO3,一级全扫描谱图中得到的谱峰均是带有单电荷或者双电荷的准分子离子峰。在串联质谱中,部分双电荷离子发生解离时,其二级谱图中子离子由单电荷子离子和双电荷子离子共同组成。通过对谱峰的局部放大,利用同位素峰的峰间距,能直接给出子离子的带电荷情况。同时,结合FTICRMS提供的高质量精度质谱数据,能够对所选取母离子的碎裂途径进行确认。离子质荷比测量的平均误差小于3.0×10-6。为结构复杂的类肝素化合物的质谱分析提供了借鉴。 展开更多
关键词 傅立叶变换离子回旋共振质谱 肝素 电喷雾 串联质谱 持续共振辐照碰撞诱导解离
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Rational Solutions for the Discrete Painlevé Ⅱ Equation
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作者 赵玲玲 商朋见 《Chinese Quarterly Journal of Mathematics》 CSCD 1999年第3期24-29, ,共6页
The rational solutions for the discrete Painlevé Ⅱ equation are constructed based on the bilinear formalism. It is shown that they are expressed by a determinant whose entries are given by the Laguerre Polynomials.
关键词 Painlevé equation discrete Painlevé equation rational solution
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Functional Separable Solutions to Nonlinear Diffusion Equations by Group Foliation Method 被引量:5
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作者 HU Jia-Yi QU Chang-Zheng YIN Hui 《Communications in Theoretical Physics》 SCIE CAS CSCD 2007年第2期193-199,共7页
We consider the functional separation of variables to the nonlinear diffusion equation with source and convection term: ut = (A(x)D(u)ux)x + B(x)Q(u), Ax ≠ 0. The functional separation of variables to thi... We consider the functional separation of variables to the nonlinear diffusion equation with source and convection term: ut = (A(x)D(u)ux)x + B(x)Q(u), Ax ≠ 0. The functional separation of variables to this equation is studied by using the group foliation method. A classification is carried out for the equations which admit the function separable solutions. As a consequence, some solutions to the resulting equations are obtained. 展开更多
关键词 group foliation method functional separation of variable nonlinear diffusion equation symmetry group
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Minimum distance constrained nonnegative matrix factorization for hyperspectral data unmixing 被引量:2
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作者 于钺 SunWeidong 《High Technology Letters》 EI CAS 2012年第4期333-342,共10页
This paper considers a problem of unsupervised spectral unmixing of hyperspectral data. Based on the Linear Mixing Model ( LMM), a new method under the framework of nonnegative matrix fac- torization (NMF) is prop... This paper considers a problem of unsupervised spectral unmixing of hyperspectral data. Based on the Linear Mixing Model ( LMM), a new method under the framework of nonnegative matrix fac- torization (NMF) is proposed, namely minimum distance constrained nonnegative matrix factoriza- tion (MDC-NMF). In this paper, firstly, a new regularization term, called endmember distance (ED) is considered, which is defined as the sum of the squared Euclidean distances from each end- member to their geometric center. Compared with the simplex volume, ED has better optimization properties and is conceptually intuitive. Secondly, a projected gradient (PG) scheme is adopted, and by the virtue of ED, in this scheme the optimal step size along the feasible descent direction can be calculated easily at each iteration. Thirdly, a finite step ( no more than the number of endmem- bers) terminated algorithm is used to project a point on the canonical simplex, by which the abun- dance nonnegative constraint and abundance sum-to-one constraint can be accurately satisfied in a light amount of computation. The experimental results, based on a set of synthetic data and real da- ta, demonstrate that, in the same running time, MDC-NMF outperforms several other similar meth- ods proposed recently. 展开更多
关键词 hyperspectral data nonnegative matrix factorization (NMF) spectral unmixing convex function projected gradient (PG)
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Interaction Behaviors Between Special Dromions in the(2+1)-Dimensional Broer-Kaup-Kupershmidt Equation 被引量:1
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作者 陈未路 张雯婷 +1 位作者 张李溥 戴朝卿 《Communications in Theoretical Physics》 SCIE CAS CSCD 2013年第1期68-72,共5页
A modified mapping method is used to obtain variable separation solution with two arbitrary functions of the(2+1)-dimensional Broer-Kaup-Kupershmidt equation.Based on the variable separation solution and by selecting ... A modified mapping method is used to obtain variable separation solution with two arbitrary functions of the(2+1)-dimensional Broer-Kaup-Kupershmidt equation.Based on the variable separation solution and by selecting appropriate functions,we discuss the completely elastic head-on collision between two dromion-lattices,non-completely elastic "chase and collision" between two multi-dromion-pairs and completely non-elastic interaction phenomenon between anti-dromion and dromion-pair. 展开更多
关键词 Broer-Kaup-Kupershmidt equation modified mapping method variable separation solutions interactive dromions
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Some nonlinear elliptic systems with right-hand side integrable data with respect to the distance to the boundary 被引量:1
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作者 LI FengQuan 《Science China Mathematics》 SCIE 2014年第9期1891-1910,共20页
In this paper,we study the very weak solutions to some nonlinear elliptic systems with righthand side integrable data with respect to the distance to the boundary.Firstly,we study the existence of the approximate solu... In this paper,we study the very weak solutions to some nonlinear elliptic systems with righthand side integrable data with respect to the distance to the boundary.Firstly,we study the existence of the approximate solutions.Secondly,a priori estimates are given in the framework of weighted spaces.Finally,we prove the existence,uniqueness and regularity of the very weak solutions. 展开更多
关键词 very weak solutions existence and uniqueness REGULARITY nonlinear elliptic systems distance to the boundary integrable data
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DETERMINANT SOLUTIONS OF THE NONAUTONOMOUS DISCRETE TODA EQUATION ASSOCIATED WITH THE DEAUTONOMIZED DISCRETE KP HIERARCHY
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作者 Satoshi TSUJIMOTO 《Journal of Systems Science & Complexity》 SCIE EI CSCD 2010年第1期153-176,共24页
It is shown that the nonautonomous discrete Toda equation and its Backlund transformation can be derived from the reduction of the hierarchy of the discrete KP equation and the discrete two-dimensional Toda equation. ... It is shown that the nonautonomous discrete Toda equation and its Backlund transformation can be derived from the reduction of the hierarchy of the discrete KP equation and the discrete two-dimensional Toda equation. Some explicit examples of the determinant solutions of the nonautonomous discrete Toda equation including the Askey-Wilson polynomial are presented. Finally we discuss the relationship between the nonautonomous discrete Toda system and the nonautonomous discrete Lotka- Volterra equation. 展开更多
关键词 Askey-Wilson polynomial Darboux transformation discrete KP hierarchy nonautonomous discrete Lotka-Volterra equation nonautonomous discrete Toda equation.
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Separation Transformation and New Exact Solutions of the (N+1)-dimensional Dispersive Double sine-Gordon Equation
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作者 田野 陈静 张志飞 《Communications in Theoretical Physics》 SCIE CAS CSCD 2012年第9期398-404,共7页
In this paper, the separation transformation approach is extended to the (N + 1)-dimensional dispersive double sine-Gordon equation arising in many physical systems such as the spin dynamics in the B phase of SHe s... In this paper, the separation transformation approach is extended to the (N + 1)-dimensional dispersive double sine-Gordon equation arising in many physical systems such as the spin dynamics in the B phase of SHe superfluid. This equation is first reduced to a set of partial differential equations and a nonlinear ordinary differential equation. Then the general solutions of the set of partial differential equations are obta/ned and the nonlinear ordinary differential equation is solved by F-expansion method. Finally, many new exact solutions of the (N + 1)-dimensional dispersive double sine-Gordon equation are constructed explicitly via the separation transformation. For the case of N 〉 2, there is an arbitrary function in the exact solutions, which may reveal more novel nonlinear structures in the high-dimensional dispersive double sine-Gordon equation. 展开更多
关键词 dispersive double sine-Gordon equation separation transformation Jacobian elliptic function F-expansion method
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Bilateral self-amalgamation of a Heegaard splitting and Hempel distance
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作者 ZOU YanQing LIU XiMin 《Science China Mathematics》 SCIE CSCD 2015年第7期1499-1510,共12页
A closed orientable Haken 3-manifold containing a non separating incompressible closed surface has two canonical Heegaard splittings, which are called self-amalgamation and bilateral self-amalgamation.Heegaard distanc... A closed orientable Haken 3-manifold containing a non separating incompressible closed surface has two canonical Heegaard splittings, which are called self-amalgamation and bilateral self-amalgamation.Heegaard distance introduced by Hempel is a useful index in studying Heegaard splitting. This paper studies the stabilization problem for the bilateral self-amalgamation, and proves that if the distance of bilateral selfamalgamation of a Heegaard splitting is at least 9, then it is unstabilized, weakly reducible and irreducible. 展开更多
关键词 STABILIZATION Heegaard distance subsurface projection
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