The Crystal Structure of N-Benzoyl-N''-(2-hydroxyethyl)-thiourea

Thiourea compounds are excellent agents of bioactive substance. A number of biological activities are associated with substituted thiourea derivatives. A survey of literature reveals that some work has been reported on benzoylthiourea, which has found plenty of applications as a facile and simple ligand in determination of trances of the transition metal and as an available starting material in preparation of a wide variety of metal complexes. In recent years,N-benzoyl-N'-(2-hydroxyethyl)-thiourea has attracted considerable attention as selective reagents for the liquid-liquid extraction and preconcentration of platinum group metals and its antifungle activity.As a part of our works in studying coordination behaviours of N-benzoyl-N'-(2-hydroxyethyl)-thiourea and its bioactivity, in view of these observations and in continuation of our previous works on it, the present work was reported on the crystal structure of N-benzoyl-N'-( 2-hydroxyethyl)-thiourea.The crystals structure in the monoclinic system and space group of P21/c of N-benzoyl-N'-(2-hydroxyethyl)- thiourea (C10H12N2O2S) was determined from single-crystal X-ray diffraction analysis, a = 17.083 (3) A, b = 4.5490 (10) A, c = 14.279 (3)A, a = 90.00°, a = 102.44(3)°, a = 90.00 °, Ⅴ = 1083.6 (4)A3, Z = 4, Dc = 1.375 Mg/m3, i (Mo Ka)= 0.280 mm-1, F(000) =472. The final R and u R are 0.0399 and 0.0881 for 783 observed reflections [Ⅰ＞26(Ⅰ)].Fig. 1 shows the molecular crystal structure of N-benzoyl-N'-(2-hydroxyethyl)thiourea indicating that the carbonyl and thiocarbonyl moieties are pointing in approximate opposite directions. The six atoms in the ring structure hydrogen bonded are almost in one plane. The N(2)-H proton pendant arm extends to the carbonyl oxygen atom, forms hydrogen bond between them.The existence of hydrogen bond in benzoyl-thiourea molecular six-membered ring structure has significant implications on coordination properties, suggest the possibility of intramolecular hydrogen bond controlled coordination behaviors of these potentially bidentate ligands. In the coordination compound reported by Bourne et al.,cis-bis(N-benzoyl-N'-propylthiourea)dichloroplatinum(Ⅱ), the two ligand molecules bind to Pt(Ⅱ)via the sulfur atoms only, the carbonyl oxygen atom being locked into hydrogen bond similar to that in the free ligands.     

On General Mixed Quasivariational Inequalities

In this paper, we suggest and analyze several iterative methods for solving general mixed quasivariational inequalities by using the technique of updating the solution and the auxiliary principle. It is shown that the convergence of these methods requires either the pseudomonotonicity or the partially relaxed strong monotonicity of the operator. Proofs of convergence is very simple. Our new methods differ from the existing methods for solving various classes of variational inequalities and related optimization problems. Various special cases are also discussed.     

Conjugacy relationship between M-convex and L-convex functions in continuous variables

By extracting combinatorial structures in well-solved nonlinear combinatorial optimization problems, Murota (1996,1998) introduced the concepts of M-convexity and L-convexity to functions defined over the integer lattice. Recently, Murota–Shioura (2000, 2001) extended these concepts to polyhedral convex functions and quadratic functions in continuous variables. In this paper, we consider a further extension to more general convex functions defined over the real space, and provide a proof for the conjugacy relationship between general M-convex and L-convex functions.Mathematics Subject Classification (1991): 90C10, 90C25, 90C27, 90C35This work is supported by Grant-in-Aid of the Ministry of Education, Culture, Sports, Science and Technology of Japan     

Analysis of end point vibrations of a two-link manipulator by integrated CAD/CAE procedures

In this work, the effect of flexibility on the trajectory of a planar two-link manipulator is studied using integrated computer-aided design/analysis (CAD/CAE) procedures. The solid models and finite element models of the parts of the manipulator are created by using the CAD/CAE software I-DEAS. The assembly is defined, and knowing the payload and the end point trajectory, the velocities and accelerations of the parts, joint forces and driving torques are calculated using the rigid body dynamics. All the time dependent nodal forces acting on the parts including distributed gravity and inertia forces are created in files with the I-DEAS program file format. The finite element vibration analysis of the parts is performed by I-DEAS. The end point vibrations and the deviations from the rigid-body trajectory are analyzed for different types of end point acceleration curves. A circular trajectory is considered as an example. It is observed that the precision of the manipulator can be increased by testing different end point acceleration curves without changing the trajectory and the duration of the end point work. The procedure explained in this work can be used for this purpose successfully.     

Analysis of finite dimensional approximations to a class of partial differential equations

In this paper, a unified approach for analysing finite dimensional approximations to a class of partial differential equations boundary value problems (second‐kind Fredholm differential equations) is introduced. The approach is shown to be general despite of its extremely simple form. In particular, it is expected to be useful in the convergence analysis of finite element methods for solving PDE problems. Three specific examples are presented to illustrate the broad applicability of the approach. Copyright © 2004 John Wiley & Sons, Ltd.     

微全分析系统检测方法的研究进展

综述了不同类型的检测方法在微全分析系统的应用，并简述了各类型的检测方法的优缺点。引用文献92篇。     

Space time-index plots for probing dynamical nonstationarity

We propose a simple method to efficiently probe dynamical nonstationarity in observed time series. In a space time-index plot, the density distributions as a function of normalized time-index are V-shaped due to nonstationarity. We show that this method is workable for short data sets and typical examples are illustrated.     

层次分析中广义最小偏差法的性质

广义最小偏差法（GLDM）是层次分析中一种重要的排序方法．本文讨论了广义最小偏差法的性质和灵敏度分析问题．     

Cu基形状记忆合金中析出相的研究

本文利用 X 射线衍射分析、透射电镜等技术,研究了几种热处理制度下 Cu—27.84 Al—3.82 Ni(at%)合金中析出相;用会聚束(CBED)技术测定了析出相与马氏体的取向关系。结果表明:分级处理试样中析出相 r_2是复杂立方结构,晶格参数 a=0.87nm;大量弥散的折出相引起共格应变场,从而使分极处理试样 X 射线衍射峰型宽化;r_2与2H 马氏体的取向关系为;[00]2H‖[001]_r_2,(10)_(2H)‖(300)_r_2。     

用壳聚糖重量法测定硅酸盐中的二氧化硅

采用壳聚糖为凝聚剂，重量法测定二氧化硅，试验了凝聚剂用量，溶液酸度、蒸发体积．放置时间及温度等对硅酸凝聚的影响，得出了最佳的沉淀条件，并测定了标准样品，测定结果的偏差较小．