Solid phase extraction and analysis of horse urine for aminocaproic acid

Summary A rapid and efficient procedure is described for extraction and determination of aminocaproic acid in horse urine. Urine was extracted by passing through a bonded silica column (Bond-Elut). The adsorbed drug was washed free of endogenous materials before being eluted. The extract was then examined by thin-layer chromatography and HPLC. The purity of the extract was determined by gas chromatography-mass spectrometry.     

X-ray spectroscopic characterization of Cu2+-phenanthroline complexes intercalated in α-zirconium phosphate

X-ray photoelectron spectroscopy provides evidence that when [Cu(phen)₂]²⁺(phen = 1,10-phenanthroline) is diffused between the layers of -zirconium phosphate, the complex species does not remain intact after intercalation, but some Cu-N bonds are broken, replaced with Cu-O bonds and the released nitrogen atoms can now interact with the PO₃-OH groups of the host. XPS also provides evidence for coordination of the Cu²⁺ ions when they are diffused by ion exchange in the phenanthroline--zirconium phosphate intercalation compound. Although Cu²⁺ and phen are in a 1 : 1 molar ratio in the interlayer region of the host, so that a 1 : 1 coordination could be expected between the two species, the characteristic peaks of the uncoordinated phenanthroline, even though at a low intensity, are still present. The differences between the two Cu(II)-intercalation compounds are discussed.     

稀土在中国高新材料研制开发中的应用

我国在稀土资源和稀土原料的生产方面都居世界领先地位，近年来稀土高新材料的研制与开发也取得重大进展。本文概述了我国在稀土高新材料开发与研究方面的成果，指出今后应把稀土应用基础研究、中重稀土的应用研究和稀土在能源领域的应用研究作为重点进一步开展工作。     

嵌合异硫氰酸罗丹明B核壳荧光纳米颗粒制备的新方法研究

随着纳米技术的发展,结合了纳米技术与材料制备技术而发展起来的荧光染料嵌合的核壳荧光纳米颗粒的制备为生物医学领域的研究提供了新的材料、技术和方法。何晓晓等以联钉吡啶配合物为核材料,制备了嵌合无机金属配合物的核壳荧光纳米颗粒,段菁华等用异硫氰酸荧光素FITC与蛋白质IgG相结合,     

Electron transfer reactivity of O2+O system in low-spin coupling: Ab Initio study at electron correlation level

The electron transfer reactivity of the O₂+O system in low-spin coupling is studied at the second-order unrestricted Møller–Plesset (full)/6-311+G* basis set level by using different transition state structures. The properties and stabilities of the encounter complexes are compared for the five selected coupling structures: two T type, collinear, parallel, and crossing. The activation barriers and the coupling matrix elements are also calculated. The results indicate that the structures of the encounter complexes directly affect the electron transfer mechanism and rate. These encounter complexes are structurally unstable, the contact distances between the acceptor O₂ and the donor O are generally large, the interaction is weak, and the structures are floppy. The electronic transmission factor for the reacting system, O₂+O, is less than unity; thus, the electron transfer reaction is nonadiabatic in nature. Analysis of the dependence of relevant kinetic parameters on various influencing factors has shown that the effect of the solvent medium on the coupling matrix element is small but that on the electron transfer rate is very large. Among the five selected transition state structures, the electron transfer is more likely to take place via T₁-type and P-type structures. In the low-spin coupling the favorable electronic states for two reacting species are ¹∑(O₂) and X²Π_g(O) instead of X³∑(O₂) and X²π_g(O), which are favorable for the high-spin (quartet state) coupling mechanism. ©1999 John Wiley & Sons, Inc. J Comput Chem 20: 989–998, 1999     

Microtubules of polyaniline doped with HCl and HBF4

Microtubules of polyaniline (PANI) doped with HCl, HBF₄, and β-naphthalene sulfonic acid (NSA) were synthesized by an improved in situ doping polymerization method. Ultraviolet-visible spectra, scanning electron microscopy, ESR, and X-ray diffraction characterized the molecular structure of the resulting PANI microtubules. These microtubules had a diameter of 1 ∼ 10 μm and a conductivity at room temperature of 0.2 ∼ 3.5 S/cm, depending on the molecular structure and concentration of the dopant. The degree of crystallinity of the PANI microtubules was enhanced by increasing the molecular size of the dopant; that is, the order PANI-NSA > PANI-HBF₄ > PANI-HCl was observed in the crystallinity of the microtubules. © 1999 John Wiley & Sons, Inc. J Polym Sci A: Polym Chem 37: 4605–4609, 1999     

Fe-Cu/ZSM-5催化剂的NH_3-SCR脱硝性能

通过浸渍法制备了Fe和Cu含量比不同的系列Fe-Cu/ZSM-5催化剂,利用XRD、H2-TPR、NH3-TPD和原位DRIFTS等技术对催化剂进行了表征,并对其NH3-SCR脱硝性能进行了研究。结果表明,双金属改性的Fe-Cu/ZSM-5催化剂活性温度窗口拓宽,其中,Fe-Cu/ZSM-5 1∶4催化剂脱硝性能优异,250-450℃下脱硝效率均超过90%,335℃时脱硝效率达到最大值96.46%。铜和铁物种能以无定型氧化物良好分散于载体表面,双金属负载改性催化剂保留了ZSM-5的晶体结构。Fe-Cu/ZSM-5 1∶4催化剂具备丰富的酸性位、良好的氧化还原性能,一定温度条件下NH3-SCR反应过程中同时存在E-R机理和L-H机理,且E-R机理反应起始温度低于L-H机理;200℃为催化脱硝反应的起活温度。     

建模思想在化学原理教学中的运用

通过竞争反应与海水晒盐2个案例,阐述了在化学原理教学过程中运用建模思想,可以使复杂的过程变得简洁、抽象,从而明晰现象背后的原理、规律。     

Generalized Hirshfeld Partitioning with Oriented and Promoted ProatomsSCI北大核心CSCD

In this study, we show how to generalize Hirshfeld partitioning methods to possibly include non-spherical proatom densities. While this generalization is numerically challenging(requiring global optimization of a large number of parameters), it is conceptually appealing because it allows the proatoms to be pre-polarized, or even promoted, to a state that more closely resembles the atom in a molecule. This method is based on first characterizing the convex set of proatom densities associated with the degenerate ground states of isolated atoms and atomic ions. The preferred orientation of the proatoms' densities are then obtained by minimizing the information–theoretic distance between the promolecular and molecular densities. If contributions from excited states(and not just degenerate ground states) are included in the convex set, this method can describe promoted atoms. While the procedure is intractable in general, if one includes only atomic states that have differing electron-numbers and/or spins, the variational principle becomes a simple convex optimization with a single unique solution.     

黄葆同归国始末：1950年代留美学生回国因素探析

黄葆同院士（1921-2005）是我国高分子化学领域的资深专家。早年留学美国,1955年回国后一直在中国科学院长春应用化学研究所工作。在乙丙橡胶合成等研究领域走在全国前列。基于对“老科学家学术成长资料采集工程”所存大量书信和日记等的解读分析,论文还原了黄葆同在美留学期间加入进步组织、争取回国的历史过程以及求学经历。并以此为缩影,探讨当时促使留美学生回国的个体与社会因素,具体而微地揭示了那一代中国留学生在困境之中的家国情怀。