Preparation and characterization of finely dispersed drugs. 5. Ethyl 3,5-di(acetylamino)-2,4,6-triiodobenzoate

Controlled precipitation of the diagnostic imaging agent ethyl 3,5-di(acetylamino)-2,4,6-triiodobenzoate has been used to produce fine particles of various sizes, morphologies, and degrees of crystallinity, which depended on experimental conditions. In addition, two distinct polymorphic forms of the drug have been fully characterized by single crystal X-ray diffraction studies, and evidence for a third polymorph was also observed. Some of the so prepared dry particles were coated with a thin layer of silica.     

制作高密度衍射光栅的光电式刻划控制的研究

高精度的光电式刻划控制系统是制作高密度母光栅的关键技术,以光栅干涉仪为控制核心,设计了光电式的光栅刻划控制系统,并对可能产生的加工误差进行了初步的分析;采用该控制系统的光栅刻划实践表明,所设计的光电式刻划控制系统已完全达到了高密度衍射光栅的亚微米栅距分度要求。     

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.     

Local adsorption sites and bondlength changes in Ni(1 0 0)/H/CO and Ni(1 0 0)/CO

The local adsorption geometry of CO adsorbed in different states on Ni(1 0 0) and on Ni(1 0 0) precovered with atomic hydrogen has been determined by C 1s (and O 1s) scanned-energy mode photoelectron diffraction, using the photoelectron binding energy changes to characterise the different states. The results confirm previous spectroscopic assignments of local atop and bridge sites both with and without coadsorbed hydrogen. The measured Ni–C bondlengths for the Ni(1 0 0)/CO states show an increase of 0.16 ± 0.04 Å in going from atop to bridge sites, while comparison with similar results for Ni(1 1 1)/CO for threefold coordinated adsorption sites show a further lengthening of the bond by 0.05 ± 0.04 Å. These changes in the Ni–CO chemisorption bondlength with bond order (for approximately constant adsorption energy) are consistent with the standard Pauling rules. However, comparison of CO adsorbed in the atop geometry with and without coadsorbed hydrogen shows that the coadsorption increases the Ni–C bondlength by only 0.06 ± 0.04 Å, despite the decrease in adsorption energy of a factor of 2 or more. This result is also reproduced by density functional theory slab calculations. The results of both the experiments and the density functional theory calculations show that CO adsorption onto the Ni(1 0 0)/H surface is accompanied by significant structural modification; the low desorption energy may then be attributed to the energy cost of this restructuring rather than weak local bonding.     

GLOBAL ATTRACTOR OF A SPATIALLY DISCRETIZED REACTION-DIFFUSION SYSTEM WITH HAMILTONIAN STRUCTURE

１ＨａｍｉｌｔｏｎｉａｎＳｔｒｕｃｔｕｒｅｉｎＲｅａｃｔｉｏｎ－ＤｉｆｕｓｉｏｎｓｙｓｔｅｍＣｏｎｓｉｄｅｒａｓｙｓｔｅｍｏｆｒｅａｃｔｉｏｎ－ｄｉｆｕｓｉｏｎｅｑｕａｔｉｏｎｓｕｔ＝ｕｘｘ＋ｆ（ｕ，ｖ）ｖｔ＝ｖｘｘ＋ｇ（ｕ，ｖ）｛（１．１）ｗｈｅｒ...     

共振原子蒸气中激光脉冲的时空特性

在柱对称条件下，利用耦合的布洛赫－麦克斯韦方程，研究了激光脉冲在原子蒸气介质中的共振传播。考察了脉中在时空中的演化。数值计算结果表明激光脉冲在传播中，由于自感应透明与光波的衍射效应，表现出复杂的相干现象。     

边界衍射波理论公式的准确性数值分析

利用数值分析的方法分析了由边界波理论公式所得的圆形光阑衍射场的光强分布.通过对边界波理论公式所得的光强分布曲线,对几何照明区与阴影区的光强分布曲线与面衍射积分公式所得的光强分布曲线进行比较,分析了边界波理论公式对衍射场描述的准确性.     

Crystal structure and magnetic ordering of RNi Si compounds

The element distributions and the magnetic ordering behaviour of compounds RNi₁₀Si₂ (R = Tb, Dy, Ho, Er, Tm) have been studied by neutron powder diffraction down to temperatures of 1.6 K. The compounds crystallize in an ordered variant of the ThMn₁₂ structure type in the tetragonal space group P4/nmm. An ordered 1:1 distribution of Ni and Si on sites 4d and 4e, respectively, corresponds to a modulation vector [0, 0, 1] with respect to the space group I4/mmm of the ThMn₁₂ structure. TbNi₁₀Si₂ orders antiferromagnetically below T _N = 4.5 K with a magnetic propagation vector of [0, 0, 1/2]. The magnetic Tb moments, 8.97(2) /Tb atom at 1.6 K, are aligned along the c-axis. The Ni sites in TbNi₁₀Si₂ do not carry any ordered magnetic moments. The compounds with R = Dy, Ho, Er, and Tm are paramagnetic down to 1.6 K and 3.0 K, respectively. Received 10 July 2002 / Received in final form 12 September 2002 Published online 29 October 2002     

Fractional programming and characterization of some vertices of the feasible region

This paper considers a problem of nonlinear programming in which the objective function is the ratio of two linear functions and the constraints define a bounded and connected feasible region. Using a coordinate transformation, this problem is transformed into a simpler one, whose geometric interpretation is of particular significance. The transformation leads to a characterization of some special vertices of the feasible region from both the theoretical and operational points of view.     

一种新型的二元光学器件——多位相光束分束器的制作

本文报道了用于多光束分束器的反射式16位相值二元光学器件的制作。该二元光学器件把一束光束分成5×5光束阵列。测量的衍射效率为76.16%,接近理论设计值79.68%。该二元光学器件的有效孔径为10mm×10mm。