First-order mean-spherical approximation for interfacial phenomena: a unified method from bulk-phase equilibria study

The recently proposed first-order mean-spherical approximation (FMSA) [Y. Tang, J. Chem. Phys. 121, 10605 (2004)] for inhomogeneous fluids is extended to the study of interfacial phenomena. Computation is performed for the Lennard-Jones fluid, in which all phase equilibria properties and direct correlation function for density-functional theory are developed consistently and systematically from FMSA. Three functional methods, including fundamental measure theory for the repulsive force, local-density approximation, and square-gradient approximation, are applied in this interfacial investigation. Comparisons with the latest computer simulation data indicate that FMSA is satisfactory in predicting surface tension, density profile, as well as relevant phase equilibria. Furthermore, this work strongly suggests that FMSA is very capable of unifying homogeneous and inhomogeneous fluids, as well as those behaviors outside and inside the critical region within one framework.     

Reversible anion exchanges between the layered organic-inorganic hybridized architectures: syntheses and structures of manganese(II) and copper(II) complexes containing novel tripodal ligands

Six noninterpenetrating organic-inorganic hybridized coordination complexes, [Mn(3)(2)(H(2)O)(2)](ClO(4))(2).2 H(2)O (5), [Mn(3)(2)(H(2)O)(2)](NO(3))(2) (6), [Mn(3)(2)(N(3))(2)].2 H(2)O (7), [Cu(3)(2)(H(2)O)(2)](ClO(4))(2) (8), [Mn(4)(2)(H(2)O)(SO(4))].CH(3)OH.5 H(2)O (9) and [Mn(4)(2)](ClO(4))(2) (10) were obtained through self-assembly of novel tripodal ligands, 1,3,5-tris(1-imidazolyl)benzene (3) and 1,3-bis(1-imidazolyl)-5-(imidazol-1-ylmethyl)benzene (4) with the corresponding metal salts, respectively. Their structures were determined by X-ray crystallography. The results of structural analysis of complexes 5, 6, 7, and 8 with rigid ligand 3 indicate that their structures are mainly dependant on the nature of the organic ligand and geometric need of the metal ions, but not influenced greatly by the anions and metal ions. While in complexes 9 and 10, which contain the flexible ligand 4, the counteranion plays an important role in the formation of the frameworks. Entirely different structures of complexes 5 and 10 indicate that the organic ligands greatly affect the structures of assemblies. Furthermore, in complexes 5 and 6, the counteranions located between the cationic layers can be exchanged by other anions. Reversible anion exchanges between complexes 5 and 6 without destruction of the frameworks demonstrate that 5 and 6 can act as cationic layered materials for anion exchange, as determined by IR spectroscopy, elemental analyses, and X-ray powder diffraction.     

DNA TURNOVER IN BUFFER-HELD ESCHERICHIA COLI AND ITS EFFECT ON REPAIR OF UV DAMAGE

Abstract— Continuous DNA degradation and resynthesis, without a net change in cellular DNA content, were observed in buffer-held, non-irradiated E. coli B/r. This constant DNA turnover probably involves most of the genome and reflects random sites of DNA repair due to the polA-dependent excision-resynthesis repair pathway. Under these non-growth conditions, it appears that at any given time there is a minimum of one repair site per 6.5 × 10⁶ daltons DNA, each of which is at least 160 nucleotides long.
While the amount of DNA degradation is not influenced by prior exposure to UV radiation, the synthetic activity decreases with increasing UV fluence. We suggest that when sites of DNA turnover occur opposite to cyclobutyl dipyrimidines in UV-irradiated cells, repair of the latter damage can be prevented. This implies that both beneficial and deleterious processes take place in irradiated buffer-held cells, and that cell survival depends on the delicate balance between DNA turnover and repair of UV-damage. Based on these findings, we propose a model to explain the limited repair observed during post-irradiation liquid-holding and to account for the large difference in cell survival between irradiation at low fluence rates (fluence-rate dependent recovery) and at high fluence rates followed by liquid-holding (liquid-holding recovery).     

再论Pedoe不等式的高维推广及应用

本文对欧氏空间E~n中的两个n维单形,给出了著名的Pedoe不等式的一个实质性推广,并讨论了它的应用.     

多柱串联高温HPLC系统的构建及应用

在高效液相色谱(HPLC)中,使用多柱串联能够极大地增加柱效和改善分离效果,提高温度能够明显降低色谱柱反压、加快分析速度.将色谱柱串联与提高柱温相结合构建了多柱串联高温HPLC系统,该系统常温下分析标准样品时(以芴计),绝对柱效达7.6×104塔板数;柱温升高到120℃,色谱柱反压从35.3MPa降低到15.4MPa,分析时间从78.39min缩短为19.26min.采用构建的系统分析中药六味地黄丸,常温下出峰94个,升高温度至100℃出峰80个,分离效果较常规的单柱系统有明显提高;升高温度,使主要组分的出峰时间缩短,可获得更为详尽的组成信息.     

白藜芦醇的合成新方法

本文探索了合成白藜芦醇的新方法。以3,5-二甲氧基苯胺为原料,经重氮化、还原及乙酰化得到中间体N′-乙酰基-3,5-二甲氧基苯肼(4),中间体4与4-甲氧基苯乙烯经Mizoroki-Heck偶联反应得中间体5,脱去甲基即得到目标产物白藜芦醇,总收率约31.9%。中间体及目标产物的结构均经质谱及核磁氢谱确证。该路线操作简便、条件温和,可用于白藜芦醇的放大制备。     

绿色单体二氧化碳参与的新型聚合反应

二氧化碳(CO₂)是一种丰富、廉价、无毒以及可再生的一碳资源,也是一种可用于聚合的绿色单体.基于CO₂的聚合是近年来的研究热点之一.目前广泛报道的是CO₂和环氧单体的聚合反应,经过几十年的发展已经成功实现工业化生产.最近几年,一些CO₂参与的新型聚合反应被陆续报道,这些工作大都通过两种途径实现从CO₂到高分子材料的转变.第一个途径是先将CO₂转化为可以聚合的单体,例如:内酯、环状碳酸酯和2,5-二呋喃甲酸等,再利用开环或者逐步聚合将单体转化为聚合物;另一个途径是直接以CO₂为单体和其他类型单体共聚得到聚合物.这两种途径对于发展CO₂参与的新型聚合反应,拓展CO₂基聚合物种类都具有重要意义.本综述按照CO₂直接还是间接参与聚合反应分类总结了近年来在CO₂制备高分子材料方面的进展,并对未来发展方向进行了简单阐述.     

射流对绕水翼云空化流动抑制机理研究

为理解绕水翼云空化流动的发展机理和探究水翼吸力面开孔射流的影响,采用密度修正的RNG k-ε湍流模型和Schnerr-Sauer空化模型对原始NACA66(mod)水翼和采用射流后的水翼的云空化非定常过程进行模拟和对比分析;采用在水翼吸力面近壁区设立监测线的方法对近壁区的流场进行监测,得到近壁区汽相体积分数、回射流速度、压力及压力梯度的时空分布云图;开展了云空化流场特性的涡动力学分析,进而分析水翼云空化的发生机理和射流抑制空化的抑制机理.结果表明:游离型空泡在下游溃灭时产生强烈的局部高压,其向上游传播导致前缘空穴的一次回缩,而空穴的二次回缩受回射流的影响.回射流的发展区域受限于较高的压力梯度,高的压力梯度一直存在,但回射流在一个周期内的首次出现需要时间的积累.在水翼吸力面射流使得射流孔附近压力升高,弥补了由于空化和绕流造成的压降,压力梯度增大,抗逆压能力增强,对回射流起到阻挡作用;另一方面,射流使得回射流区域面积和回射流的强度也有所减小,从而对云空化的发展起到抑制的效果.Q准则的涡结构云图相比于汽相体积分数云图能显示复杂的流动结构,前缘附着型空穴和尾缘游离型空穴内存在旋涡,回射流对空穴...     

Scalable Network Coding for Heterogeneous Devices over Embedded Fields

In complex network environments, there always exist heterogeneous devices with different computational powers. In this work, we propose a novel scalable random linear network coding (RLNC) framework based on embedded fields, so as to endow heterogeneous receivers with different decoding capabilities. In this framework, the source linearly combines the original packets over embedded fields based on a precoding matrix and then encodes the precoded packets over GF(2) before transmission to the network. After justifying the arithmetic compatibility over different finite fields in the encoding process, we derive a sufficient and necessary condition for decodability over different fields. Moreover, we theoretically study the construction of an optimal precoding matrix in terms of decodability. The numerical analysis in classical wireless broadcast networks illustrates that the proposed scalable RLNC not only guarantees a better decoding compatibility over different fields compared with classical RLNC over a single field, but also outperforms Fulcrum RLNC in terms of a better decoding performance over GF(2). Moreover, we take the sparsity of the received binary coding vector into consideration, and demonstrate that for a large enough batch size, this sparsity does not affect the completion delay performance much in a wireless broadcast network.