含磺化呋喃环聚醚膜的红外光谱

交联型含磺化呋喃环聚醚复合膜对无机水溶液和有机水溶液具有很好的分离功能,其中日本东丽的PEC-1000反渗透复合膜对碱金属和碱土金属离子表现出特别高的截留率,巳用于工业规模的一级海水淡化。但这类膜材料的耐氧化氯解性尚不够理想,分离海水时,体系中需加入微量NaHSO_3之类还原剂。迄今,关于由糠醇(FA)均缩聚形成交联型含磺化呋喃环缩聚物的化学稳定性的研究仅有少量报道,而对于FA与三∈2-羟乙基

3~C-NMR 研究糠醇和糠醇与三■2—羟乙基■异氰尿酸酯缩聚磺化反应

80年代初,Kurihara 等开发的 PEC—1000复合膜,首次实现了工业规模的海水一级淡化,并在无机和有机水溶液的分离和浓缩方面显示了巨大潜力。据分析这种高效分离膜的功能分离层的主要结构成分是糠醇(FA)和三(?)2一羟乙基(?)异氰尿酸酯(THEIC)

牙鲆与大黄鱼卵黄囊期发育阶段生化与能量代谢研究

于1999年5－6月间在实验室内对暖温性底层鱼类褐牙鲆(Paralichthys olivaceus)和暖水性近底层鱼类大黄鱼(Pseudosciaena crocea)进行了自受精卵开始到早期仔鱼的发育生态学实验。褐牙鲆和大黄鱼的培育温度分别为17.4±0.3 ℃和23.2±0.3 ℃，盐度均为31±0.2‰，遮光静养。通过测定其受精卵细胞的干重、湿重、卵黄和油球体积以及细胞发育过程中的耗氧率、氨排泄率、铵离子含量、游离氨基酸、蛋白质、总脂、脂肪酸等参数的变化（大黄鱼仅限于卵黄和油球体积、耗氧率、氨排泄率、铵离子含量、游离氨基酸和蛋白质），分析不同发育阶段的生化代谢和能量代谢特征；结合已有的研究成果，比较鱼类发育能量学的基本规律。结果表明：1．在受精卵分裂和胚体发育中，褐牙鲆和大黄鱼均呈现明显的铵离子累积现象，其间产生的氨一部分排到环境中，另一部分在卵中积累，孵化时随着卵膜的破裂而排出，导致氨排泄率出现一个峰值。2．游离氨基酸是早期发育阶段的一个重要能源物质，分别构成了褐牙鲆能量代谢的35％和大黄鱼能量代谢的28％。此外，在受精卵发育阶段，游离氨基酸还被用来合成蛋白质，所以在受精卵发育阶段，蛋白质非但不减少，还会有明显的增加。3．在孵化前后，伴随着卵膜的破裂和卵周液的流失，干重和蛋白质含量均有明显的减少。4．卵黄囊期仔鱼早期阶段，蛋白质含量略有增加，这说明还有一部分的游离氨基酸被合成了蛋白质。其后，蛋白质含量呈现下降趋势，表明蛋白质也已被用做能源物质。5．褐牙鲆受精卵中最主要的多不饱和脂肪酸是DHA和EPA，二者合计占多不饱和脂肪酸总量的86％。比较油球体和总脂含量的变化特征，不难发现脂肪酸主要是位于油球中。这说明来自油球的脂类是褐牙鲆仔鱼在这个阶段的主要能源物质，来自油球的中性脂肪NL的脂肪酸FA是从孵化到开口这段时间主要的能源物质。磷脂PL的脂肪酸FA只是被很少的利用（为中性脂肪NL的30％）。6．游离氨基酸FAA是褐牙鲆与大黄鱼在受精发育阶段最重要的能源物质，而在孵化后来自油球的中性脂肪NL的脂肪酸NLFA被用做主要能源物质，蛋白质则是在开口之前就用做能源物质，但其作用还不是很大。主要能源物质的转变可以从氮熵NQ的变化看出来，氮熵呈现一种先降低后升高的态势。但就整个早期发育阶段来说，无氮的脂类所起的作用更大一些。分解的主要中性脂肪酸是那些含量最丰富的种类，而与他们的饱和度无关。7．褐牙鲆从卵受精后8小时到仔鱼开口，能够将卵黄消耗的焓的59.7％转化为生长（P），有43.6％因代谢而散失，还有极少部分0.4％因排汇而丢失。有一定的实验误差在里面。8．褐牙鲆是适温较低的暖温性底层鱼类，卵子较小，发育时水温较低，发育较慢；大黄鱼是适温较高的暖水性近底层鱼类，卵子较大，发育时水温较高，发育较快，所以褐牙鲆与大黄鱼在早期发育阶段所采取的能量对策是不一样的。褐牙鲆游离氨基酸占总的能量代谢的35％，而大黄鱼只占28％，相对而言，暖水性鱼类比暖温性鱼类更为依赖脂类，氨基酸所起的作用相对较小一些。9．依据已有研究成果，不难得出：鱼类早期发育过程中主要能源物质变化和能量代谢牲征有物种特异性。对于含一个油球的鱼类来说，基于脂肪的能量代谢是重要的；而对于不含油球的鱼类来说，氨基酸的作用更为重要一些。这些研究对于仔鱼在开口时营养成分的确定及满足、死亡率以及生活史特征具有十分重要的科学价值。

胶州湾悬浮颗粒物中脂肪酸的时空分布及其在初级生产者到初级消费者食物传递中的作用

研究初级食物供给与初级消费之间数量与质量的关系在海洋浮游生态系统食物网研究中占有基础地位。悬浮颗粒物及浮游动物中脂肪酸的组成和含量可以很好地为食物关系研究提供信息。当悬浮颗粒物在时空上存在数量和质量差异时，这种差异就可能在浮游动物中体现出来，而且通过脂肪酸的信息可以追踪到这种差异。本研究旨在阐明脂肪酸在悬浮颗粒物组成中的生物标记作用和在悬浮颗粒物到浮游动物食物传递过程中的营养指示作用，同时应用这一标记物研究胶州湾海域悬浮颗粒物的大体分布及其与浮游动物间的食物关系。 文章首先依据2005年3月－2006年2月胶州湾颗粒有机碳及叶绿素a的数据估测碳生物量的转化系数，发现该系数受时空环境差异的影响，平均为56，从而推导出胶州湾浮游植物有机碳浓度，进而探讨浮游植物对颗粒有机碳的贡献。对各参数分析结果显示胶州湾颗粒有机碳、叶绿素a和浮游植物有机碳年平均浓度分别为为0.47 mg.L-1、4.16 μg.L-1及0.23 mg.L-1，三者表现出相似的时空变化动态，即湾内沿岸水域较高，湾外较低，夏季较高秋冬季较低。浮游植物对颗粒有机碳的贡献较高，年平均接近37%。 对悬浮颗粒物的脂肪酸组成分析后发现饱和脂肪酸（SSFA）16:0，14:0，18:0及单不饱和脂肪酸（MUFA）Σ16:1(ω7+ω5+ω9)所占比例较高，多不饱和脂肪酸（PUFA）中EPA和DHA也相对较高。总脂肪酸在水体中的绝对浓度及在颗粒有机碳中的相对含量均存在着时空变异，二者的平均变动范围分别在4.7－60.2 μg . L-1及20.1－86.7 μg . mg-1之间，夏季高于秋冬季，空间分布上二者均在湾东部相对较高，而在湾外较低。不同脂肪酸组合的时空变化可以反映出悬浮颗粒物组成的时空动态，其中16:1ω7/18:1ω9、Σ16:1/18:1ω9、Σ16:1/Σ18:1、Σ16/Σ18、Σ16/ΣFA及20:5ω3/22:6ω3等脂肪酸组合在研究海域可以较好的指示硅藻组成，而Σ18/ΣFA 及22:6ω3/ΣFA可以指示甲藻组成，BSFA/ΣFA、Σ(Br+St)/ΣFA 、Br/St (15:0)及 Br/St (15:0+17:0)可以较好的指示细菌，SSFA/ΣFA及(24:0+26:0)/ΣFA可以示踪碎屑组分及其中的陆源成份。ω3系列脂肪酸在有机碳中的含量及在总脂肪酸中的比例以及不饱和指数可以表征悬浮颗粒物的食物质量。通过标志脂肪酸对悬浮颗粒物组成的指示发现冬季2月悬浮颗粒物组成中硅藻所占比例较高，多数月份湾内近岸水域尤其是湾东部细菌组成相对较高，而湾口至湾外水域碎屑含量相对较高。 浮游动物总平均干重生物量为72.6 mg.m-3，平面分布表现为湾内北部及中心区域生物量普遍较高，湾东部水域较低，季节变化表现为总生物量在春季4月及冬季12月形成峰值，总体上在春季5月、夏季7月及秋冬大部分月份相对较低，但不同粒径组成其动态不尽相同。浮游动物的脂肪酸组成与悬浮颗粒物存在一定差别，表现为MUFA比例下降，PUFA比例升高；SSFA中14:0的比例下降，18:0及20:0比例提高，MUFA中20:1ω9比例升高，PUFA中，EPA及DHA所占比例也相对较高。8月份总脂肪酸含量较高，9月与10月相对较小，各粒级内差别不大。 利用主成份分析发现悬浮颗粒物的组分在浮游动物中能够用相应脂肪酸指标进行示踪，当食物数量充分满足需求时，浮游动物脂肪酸特征与悬浮颗粒物组成一致性较高，同时通过脂肪酸示踪发现当潜在食物数量较丰富时，浮游动物的摄食存在选择性，这种选择可能受食物质量的调控，而当食物数量较低时，其选择性也降低。 悬浮颗粒物中EPA含量及不饱和指数是相对重要的食物质量指示物，通过对其指示特征的分析发现胶州湾总体上浮游动物的摄食会影响其食物质量组成；但在8月，浮游动物的生物量受悬浮颗粒物质量的调控，而浮游动物生物量对食物数量的摄食压力较小，认为该时期是食物质量限制对浮游动物生物量影响相对重要的时期，可以用特征脂肪酸进行清晰的分析。

Seasonal changes in the distribution of dissolved organic nitrogen in coastal and open-ocean waters in the North East Pacific: sources and sinks

The distribution of dissolved organic nitrogen (DON) and nitrate were determined seasonally (winter, spring and summer) during three years along line P, i.e. an E-W transect from the coast of British Columbia, Canada, to Station P (50degreesN, 145degreesW) in the subarctic North East Pacific Ocean. In conjunction, DON measurements were made in the Straits of Juan de Fuca and Georgia within an estuarine system connected to the NE Pacific Ocean. The distribution of DON at the surface showed higher values of 4-17 muM in the Straits relative to values of 4-10 muM encountered along line P, respectively. Along line P, the concentration of DON showed an inshore-offshore gradient at the surface with higher values near the coast. The equation for the conservation of DON showed that horizontal transport of DON (inshore-offshore) was much larger than vertical physical mixing. Horizontal advection of DON-rich waters from the coastal estuarine system to the NE Pacific Ocean was likely the cause of the inshore-offshore gradient in the concentration of DON. Although the concentration of DON was very variable in space and time, it increased from winter to summer, with an average build up of 4.3 muM in the Straits and 0.7 muM in the NE subarctic Pacific. This implied seasonal DON sources of 0.3 mmol N m(-2) d(-1) at Station P and 1.5 mmol N m(-2) d(-1) in the Straits, respectively. These seasonal DON accumulation rates corresponded to about 15-20% of the seasonal nitrate uptake and suggested that there was a small seasonal build up of labile DON at the surface. However, the long residence times of 180-1560 d indicated that the most of the DON pool in surface waters was refractory in two very different productivity regimes of the NE Pacific. (C) 2002 Elsevier Science Ltd. All rights reserved.

Studies on two coordination polymers [M(mu(4)-pz25dc)](n) (M = Cd or Zn, pz25dc=pyrazine-2,5-dicarboxylato) with three-dimensional pillared-layer three-nodal framework: Synthesis, structural characterization, strong optical non-linearities and optical limiting properties

Two isomorphous new candidates [M(mu(4)-pz25dc)](n) (M = Cd, 1; Zn, 2; pz25dc = pyrazine-2,5-dicarboxylato)for nonlinear optical (NLO) materials have been synthesized hydrothermally and characterized crystallographically as pillared-layer three-nodal frameworks with one four-connected metal nodes and two crystallographically different four-connected ligand nodes. Their optical non-linearities are measured by the Z-Scan technique with an 8 ns pulsed laser at 532 nm. These two coordination polymers both exhibit strong NLO absorptive abilities [alpha(2) = (63 +/- 6) x 10 (12) mW (1) 1, ( 46 +/- 6) x 10 (11) mW (1) 2] and effective self-focusing performance [n(2) = (67 +/- 5) x 10 (18) 1, (13 +/- 3) x 10 (18) m(2) W (1) 2] in 1.02 x 10 (4) 1 and 1.05 x 10 (4) mol dm (3) 2 DMF solution separately. The values of the limiting threshold are also measured from the optical limiting experimental data. The heavy atom effect plays important role in the enhancement of optical non-linearities and optical limiting properties. (C) 2009 Elsevier B. V. All rights reserved.

Synthesis and quantum-chemistry analysis on novel triazole compounds containing ester group

Nine novel triazole compounds containing ester group were designed and synthesized. Their structures were confirmed by elemental, H-1 NMR and IR analyses, and optimized by means of DFT (Density Functional Theory) method at the B3LYP/6-31G* level. Based on the quantum-chemical calculation results and the Pearson coefficients between FA and quantumchemical parameters, V, LogP, MR and E-HOMO are shown to be the important relative factors which affect FA of the title compounds.

Copper complexation by fulvic acid affects copper toxicity to the larvae of the polychaete Hydroides elegans

Copper toxicity is influenced by a variety of environmental factors including dissolved organic matter (DOM). We examined the complexation of copper by fulvic acid (FA), one of the major components of DOM, by measuring the decline in labile copper by anodic stripping voltammetrically (ASV). The data were described using a one-site ligand binding model, with a ligand concentration of 0.19 mu mol site mg(-1) C, and a logK' of 6.2. The model was used to predict labile copper concentration in a bioassay designed to quantify the extent to which Cu-FA complexation affected copper toxicity to the larvae of marine polychaete Hydroides elegans. The toxicity data, when expressed as labile copper concentration causing abnormal development, were independent of FA concentration and could be modeled as a logistic function, with a 48-h EC50 of 58.9 mu g 1(-1). However, when the data were expressed as a function of total copper concentration, the toxicity was dependent on FA concentration, with a 48-h EC50 ranging from 55.6 mu g 1(-1) in the no-FA control to 137.4 mu g 1(-1) in the 20 mg 1(-1) FA treatment. Thus, FA was protective against copper toxicity to the larvae, and such an effect was caused by the reduction in labile copper due to Cu-FA complexation. Our results demonstrate the potential of ASV as a useful tool for predicting metal toxicity to the larvae in coastal environment where DOM plays an important role in complexing metal ions. (c) 2007 Elsevier Ltd. All rights reserved.

Synthesis and QSAR studies of novel triazole compounds containing thioamide as potential antifungal agents

Eighteen novel triazole compounds containing thioamide were designed and synthesized. Their structures were confirmed by elemental analysis, H-1 NMR, IR, and MS. The title compounds exhibited certain antifungal activity. And the geometry structures of the title compounds were optimized by means of the density functional theory (DFT) method at B3LYP/6-31G* level. The quantitative structure-activity relationship (QSAR) of the title compounds was systematically investigated. A correlative equation between FA and DELH, V was well established by using the multiple linear regression (MLR). (c) 2006 Elsevier Ltd. All rights reserved.

cis-Dichloridobis(1,10-phenanthroline-kappa N-2,N ')-cadmium(II) hemihydrate

The title compound, [ CdCl2( C12H8N2)(2)]center dot 0.5H(2)O, crystallizes with two independent complex molecules and one water molecule in the asymmetric unit. The Cd atoms in both independent complexes display a distorted octahedral coordination geometry formed by four N atoms from two phenanthroline ligands and two Cl atoms. In the crystal structure, pi-pi stacking interactions link complexes in two symmetry- independent ladders parallel to the c axis. Intermolecular O-H center dot center dot center dot Cl hydrogen bonds stabilize the crystal packing.

Triaqua(benzene-1,2-dicarboxylato-kO)-(1,10-phenanthroline-k(2)N,N ')zinc(II) monohydrate

The structure of the title compound, [Zn(C8H4O4)(C12H8N2)-(H2O)(3)]center dot H2O, displays a distorted octahedral coordination geometry, with two N atoms from the bidentate phenanthroline ligand, three O atoms from three meridional H2O molecules and one O atom from the monodentate phthalate ion.

Crystal structure and DFT studies of a triazole derivative: 4-(2-hydrobenzylideneamino)-3-(1,2,4-triazol-4-yl-methyl) 1H-1,2,4-triazole-5 (4H)-thione

A novel triazole derivative 4-(2-hydrobenzylideneamino)-3-(1, 2, 4-triazol-4-ylmethyl)-1H-1, 2, 4-triazole-5 (4H)-thione(1) was synthesized and characterized using elemental analysis, MR, and H-1 NMR, and its crystal structure was determined via X-ray single crystal diffraction analysis. Crystal data: monoclinic, P2 (1)/c, a = 0.83335 (9) nm, b = 1. 49777 (16) run, c = 1. 14724 (12) nm, beta = 107. 990 (2)degrees, D = 1. 470 Mg/m(3), and Z = 4. The geometries and the vibrational frequencies were determined using the density functional theory(DFT) method at the B3LYP/6-31G* level. To demonstrate the accuracy of the reaction route of compound 1, one of the important intermediates was also tested using the same method. The structural parameters of the two compounds calculated using the DFT study are close to those of the crystals, and the harmonic vibrations of the two compounds computed via the DFT method are in good agreement with those in the observed IR spectral data. The thermodynamic properties of the title compound were calculated, and the compound shows a good structural stability at normal temperature. The test results of biological activities show that it has a certain bactericidal ability.

Diisothiocyanatobis(1-vinyl-1H-imidazole-kappa N-3)-copper(II)

In the title compound, [Cu(NCS)(2)(C5H6N2)(2)], each Cu atom is coordinated by two N atoms from two Eim (Eim = 1-vinyl-1H-imidazole) ligands and two N atoms from two isothiocyanate groups. The Cu atom adopts a square-planar geometry. The mean Cu-N(Eim) and Cu-N(NCS) distances are 1.960 (6) and 1.993 (6) angstrom, respectively.