2-[[(2-氨基苯基)亚胺]苯甲基]-4-氯苯酚晶体结构的量子化学研究

采用密度泛函理论(DFT)B3LYP方法,运用Gaussian03量子化学程序包,在B3LYP/6-31G*基组水平上对合成的化合物2-[[(2-氨基苯基)亚胺]苯甲基]-4-氯苯酚的晶体结构进行优化,计算了分子稳定构型的总能量、前线分子轨道能量、原子自然电荷布局、自然键轨道(NBO)及稳定化能等.计算结果与通过单晶X-射线衍射法测得的晶体结构的实验结果吻合.此项研究可为异双希夫碱配体及其金属配合物的合成及实际应用提供理论参考.     

一种新型希夫碱Cu(Ⅱ)配合物的合成、表征及与DNA的相互作用

制备了2-氨基嘧啶缩邻香草醛希夫碱配体C12H11N3O2(HL),将其与Cu(Ⅱ)作用合成了1种新型的铜配合物{[CuL(NO3)(C2H5OH)].2H2O}。通过元素分析、红外光谱、紫外-可见光谱、TG-DTG及摩尔电导分析等手段对合成的配合物进行了表征,推测了配合物可能的结构,铜为六配位,八面体结构:配体中-C=N-上的N原子、嘧啶环上的N原子、酚羟基上的O原子均参与了配位,配合物中硝酸根以双齿形式参与配位,溶剂分子以配位形式存在,水以结晶形式存在。利用紫外-可见吸收光谱、荧光光谱、黏度测试、电化学方法研究了配合物与DNA的相互作用,实验结果表明,配合物与DNA之间通过插入作用结合,并得出配合物与DNA的结合常数为Kb=8.12×104L.mol-1。     

Ln(Ⅲ)与2-羟基-1-萘醛缩4-氨基安替吡啉配合物的合成、表征及热分解动力学

合成了稀土硝酸盐与希夫碱 2 -羟基 - 1 -萘醛缩 4-氨基安替吡啉 (以 HL表示 )的 3种配合物。通过元素分析、IR、UV和摩尔电导分析等方法 ,确定配合物的组成为 [Ln(HL) (C2 H5OH)(H2 O) 2 ] (NO3 ) 3 (Ln=La,Nd,Eu) ,并用非等温热重法研究了 Eu( )配合物的热分解反应动力学 ,推断出第 3步热分解动力学方程为 :dα/dt=A· e-E /RT· 1 /2 (1 -α) [- ln(1 -α) ] -1 。     

磷酸盐、硝酸盐组成对海洋赤潮藻生长的影响

应用 1次培养实验方法研究了不同组成磷酸盐 (PO4- P)和硝酸盐 (NO3 - N)对新月菱形藻、旋链角毛藻和中肋骨条藻 3种海洋赤潮藻生长的影响。结果表明 ,L ogistic生长模型可以很好地描述不同组成 PO4- P和 NO3 - N条件下 3种海洋赤潮藻生长状况 ,其中拟合相关系数 R2 =0 .95± 0 .0 3。进一步研究表明 ,3种海洋赤潮藻均存在营养盐生长阈值 C*PO4,C*NO3 ,在本文实验条件下新月菱形藻的 C*PO4为 1.72μmol· L-1,C*NO3 为 4 0 .4 2μmol· L-1;旋链角毛藻的分别为 2 .0 7μmol· L-1和 4 4.76 μmol· L-1;中肋骨条藻的分别为 1.13μmol· L-1和 30 .2 6 μmol· L-1。当 PO4- P,NO3 - N初始浓度分别小于其营养盐生长阈值 C*PO4,C*NO3 时 ,随其初始浓度增加会促进 3种赤潮藻生长 ,但当初始浓度大于营养盐生长阈值时 ,随营养盐初始浓度增加反而会逐渐限制其生长。这表明 3种海洋赤潮藻都存在 1个适宜其生长的 (N∶ P) 最佳值 ,其中新月菱形藻的 (N∶ P) 最佳值 =2 0∶ 1,旋链角毛藻的 (N∶ P) 最佳值 =19∶ 1,中肋骨条藻的 (N∶ P) 最佳值 =32∶ 1。     

台湾海峡南部哈氏仿对虾的碳氮氢含量

哈氏仿对虾 (Parapenaeopsishardwikii)的C、N和H含量的平均值分别为 40 .0 2 %± 1 .2 2 %、1 0 .0 4%± 0 .42 %和 5 .5 4%± 0 .2 0 % ;哈氏仿对虾的C含量有明显的季节变化 ,同样体长的雌虾春季的平均C含量较夏季的高。同一季节雌雄虾体平均C含量大致相同。而且它们的C含量变化与性产物的量有一定的关系。哈氏仿对虾产卵期的C∶N和C∶H的元素比率较产卵前和产卵后为高。哈氏仿对虾的C含量较长毛对虾 (Penaeuspenicillatus)和日本对虾 (P .japenicus)的低 ,而比刀额新对虾 (Metapenaeusensis)稍高 ;其N、H含量均比这 3种对虾略低。     

海洋放线菌H2003代谢产物中环二肽成分及其抗肿瘤活性的初步研究

海洋来源放线菌H2003发酵产物的粗提物对小鼠乳腺癌细胞tsFT210具有明显的细胞毒活性。为了发现其抗肿瘤活性成分,采用活性跟踪的分离方法,经多次硅胶柱色谱、凝胶柱色谱及高效液相色谱分离,从菌株H2003发酵液中分离得到了7个环二肽化合物。经核磁共振光谱、质谱和旋光分析,其结构分别鉴定为cyclo(L-Leu-L-Pro)(1),cyclo(D-Val-L-Pro)(2),cyclo(Gly-L-Leu)(3),cyclo(L-Pro-L-Try)(4),cyclo(Gly-D-Phe)(5),cyclo(Gly-L-Pro)(6)和cyclo(L-Ala-L-Phe)(7)。其中化合物1通过SRB法测试表现出弱的抗肿瘤活性,系首次报道。     

1966年1～6月西北太平洋月平均表层水温、距平(℃)

站号纬度(”)经度(”)月 份纬Jy站号1 l(”)经度(”) 月 份123451345且2345G 1 2 3 4 5 6 7 8 9101且121314151617181920ZI2223242526272829303145N40N35N30N155【2.5 D 2 O sls/18 9 2.8 D 5.口DIG 54 713 sl3 GI3 4I41 G 0+17014 sl :3.8 4.of 3.gi 5.of 6.3 J17515 sl4.714.SI4.6]5.8 7.sl18O 5 6.0 D 54 D 59 D 5.6 8 7.O D 8.口1145匕D 8.口d 6.8 D 8.O D 8.U D 且口.8 二J.8D155 103 SO fig f 04 ti.4 i 14.2]16t) 111 SS 97 9.8 12.U ]4.U lflG 11 10 门1( ( 100 120 140 1701 1141 10.7 …     

Cd(Ⅱ)水合/水解产物结构和稳定性的理论研究

用密度泛函(DFT)B3LYP方法研究了Cd(Ⅱ)水合与水解产物的几何结构、电子结构及稳定性.结果表明,水合产物的稳定性均优于水解产物,其稳定性顺序为:Cd(OH)2-4相似文献   

海产单胞藻沉淀方法的研究

1994年对运动的和不运动的单胞藻进行了浓缩方法的研究,其目的就是筛选毒副作用小、浓缩沉淀效果好、成本低的海产单胞藻凝絮剂,为单胞藻的开发利用提供一种方法。1　材料和方法1.1　材料藻种　球等鞭金藻(Isochrysisgalbana);小新月菱形藻(Nitzschiaclosteriumfarmaminutissima)。培养用水　取自太平角的自然海水,沉淀、过滤、消毒,盐度为31～32.5,pH:7.91～8.1,在30L的有机玻璃桶中培养,水温20±2℃。所用凝絮剂　氯化铁[FeCl3·6H2O](A.R),明矾[KAl(SO4)212H2O](A.R),聚丙烯酰胺(A.R)[CH2CHCONH2]n,聚合氯化铝(C.P)[Al2(OH…     

海鞘内生真菌焦曲霉Aspergillus ustus TK-5的化学成分研究

焦曲霉(Aspergillusustus)TK-5是分离自土耳其海域海鞘(Pyuramomus)新鲜组织中的一株内生真菌,利用正相与反相硅胶柱层析、葡聚糖凝胶Sephadex LH-20柱层析以及高效液相制备等色谱方法从其发酵产物中分离得到17个化合物,通过一维、二维核磁共振、质谱等技术鉴定了所有化合物的结构,分别为血苋烷型倍半萜类化合物strobilactone A(1), ustusolate E(2), ustusolate C(3), ustusolate D(4),11-hydroustusolate E(5), 11, 6’-hydroustusolate E(6),(2’E, 4’E, 6’E)-6-(1’-carboxyocta-2’, 4’, 6’-triene)-11,12-epoxy-9, 11-dihydroxydrim-7-ene(7), 12-hydroxy-6-epi-albrassitriol (8), ustusolate A (9), deoxyuvidin B(10)和二倍半萜类化合物6-epi-ophiobolinG(11),(6α)-21,21-O-dihydroophiobolinG(12),6-epi-ophiobolin K(13), ophiobolin P(14) ophiobolin H(15), ophiobolin Q(16)及ophiobolin R(17)。活性筛选表明化合物2、6、7、9、11和13对神经氨酸酶具有一定的抑制活性,其半数抑制浓度(IC50)分别为31.8、37.3、28.4、36.8、46.6和37.6μmol/L。     

Microbial Biomass and Organic Nutrients in the Deep-Sea Sediments of the Central Indian Ocean Basin

In order to assess the impact of deep-sea mining on the in situ benthic life, we measured the microbial standing stock and concentration of organic nutrients in the deep-sea sediments of the Central Indian Ocean Basin in the Indian pioneer area. Sediments were collected using box core and grab samples during September 1996. The total bacterial numbers ranged from 10 10 -10 11 cells per g -1 dry weight sediment. There was a marginal decrease in the number of bacteria from surface to 30 cm depth, though the subsurface section registered a higher number than did the surface. The highest numbers were encountered at depths of 4-8 cm. The retrievable number of bacteria were two orders less in comparison with the direct total counts of bacteria. An almost homogeneous distribution of bacteria, total organic carbon, living biomass, and lipids throughout the depth of cores indicates active microbial and benthic processes in the deep sea sediments. On the other hand, a uniform distribution of total counts of bacteria, carbohydrates, and total organic carbon in all the cores indicates their stable nature and suggests that they can serve as useful parameters for long-term monitoring of the area after the benthic disturbance. Further studies on temporal variability in this region would not only verify the observed norms of distribution of these variables but would also help to understand restabilization processes after the simulated benthic disturbance.     

海上大直径钢管桩打桩过程中桩周土强度弱化研究

海上大直径钢管桩打桩过程中,桩周土体受到强烈扰动而发生强度弱化,掌握桩周土体强度弱化规律对于准确预测打桩过程、保证工程安全具有重要意义。为研究土体强度弱化规律,开展了环剪试验模拟打桩对桩周土体的扰动,测试土体强度随剪切速率的变化规律,建立了描述土体强度弱化规律的拟合公式,引入到打桩分析软件中。研究结果表明：土体的强度折减程度不仅与土体本身的性质有关还受到土体的埋深和剪切速率的影响,埋深越深土体强度折减程度越低,剪切速率越高土体强度折减越高,在打桩分析中可采用这里推荐的线性折减方法来模拟不同深度处土体强度的折减规律。     

Geoacoustic Inversion via Genetic Algorithm and Its Application to Manganese Sediment Identification

An acoustic inversion method using a wide-band signal and two near field receivers is proposed and applied to multiple layered seabed models including a manganese sediment. The inversion problem can be formulated into a probabilistic model comprised of signals, a forward model, and additive noise. The forward model simulates wide-band signals, such as chirp signals, and is chosen to be the source-waveletconvolution plane wave modeling method. The wavelet matching technique, using weighted least-squares fitting, estimates the sediment sound-speed and thickness on which determination of the possible numerical ranges for a priori uniform distribution is based. The genetic algorithm is applied to a global optimization problem to find a maximum a posteriori solution for determined a priori search space. Here the object function is defined by an L 2 norm of the difference between measured and modeled signals. Not only the marginal pdf but also its statistics are calculated by numerical evaluation of integrals using the samples selected during importance sampling process of the genetic algorithm.     

Deep-Sea Sediment Compression Curves: Some Controlling Factors, Spurious Overconsolidation, Predictions, and Geophysical Reproduction

Oedometer tests have been carried out on 70 undisturbed surficial clays (at approximately 250 mm below the mudline), mostly collected by free-fall corers from sites widely scattered throughout the deep-sea North Atlantic. Acoustic measurements were also made, initially on contiguous samples and ultimately on the same sample using a geophysically instrumented oedometer which also collected electrical resistivity data. Apart from those quiescent areas below the carbonate compensation depth, such as north of the West Indies where very fine clays exist, most of the samples are silty clays whose geotechnical-geophysical properties are dependent on the type of clay minerals present (and their ability to take in moisture), the sand-size fraction, and the quantity of carbonate present. Thus the pure clays have high compressibilities which decrease on the addition of coarse particles, while the converse is true for the acoustic parameters, these increasing with the sand fraction. Using the notion of the intrinsic compression line for all samples, and comparison to it of the measured compression curves, it is clear that, contrary to some previously held ideas, most deep-sea clays are normally consolidated; the addition of carbonate has the effect of creating an open, stronger sediment skeleton. Interestingly, where information is available, the variation with depth of a sample's acoustic velocity follows the void ratio pressure relationship of the compression curve. This allows the construction of an in-situ sediment compression curve using the in-situ geophysical observations.     

Phylogenetic diversity and phenotypic characterization of cultivable bacterioplankton isolated from polar oceans

A set of 27 marine planktonic bacteria isolated from the polar regions was characterized by 16S rDNA sequencing and physiological and biochemical testing. More than half of these bacteria were positive for caseinase, gelatinase and 13-glucosidase, and could utilize glucose, maltose or malic acid as carbon source for cell growth. Twelve isolates expressed nitrate reduction activities. Except for one antarctic isolate BSwlO175 belonging to Actinobacteria phylum, these isolates were classified as γ-Proteobacteria, suggesting that γ-Proteobacteria dominated in cultivable marine bacterioplankton at both poles. Genus Pseudoalteromonas was the predominant group in the Chukchi Sea and the Bering Sea, and genus ShewaneUa dominated in cultivable bacterioplankton in the Prydz Bay. With sequence similarities above 97%, genus Psychrobacter was found at both poles. These 27 isolates were psychrotolerant, and significant 16S rDNA sequence similarities were found not only between arctic and antarctic marine bacteria （ 〉 99% ）, but also between polar marine bacteria and bacteria from other aquatic environments （ ≥ 98.8% ）, including temperate ocean, deep sea, pond and lake, suggesting that in the polar oceans less temperature-sensitive bacteria may be cosmopolitan and have a bipolar, even global, distribution at the species level.     

INFORMATION FOR AUTHORS

<正>Acta Oceanologica Sinica(AOS)is a comprehensive academic journal edited by the Editorial Committee of Acta Oceanologica Sinica and is designed to provide a forum for important research papers of the marine scientific community which reflect the information on a worldwide basis.The journal publishes scholarly papers on marine science and technology,including physics,chemistry,biology,     

Evaluation of the Risk of Marine Slope Instability: A Pseudo-3D Approach for Application to Large Areas

This article presents a methodology developed to evaluate the instability of submarine slopes that extend over a large area. Special attention was paid to (1) the complex geometry (bathymetry) and the expanse of the slope, (2) the heterogeneity of the sediment, and (3) the distribution of the pore pressure. The safety factor was considered as a spatially varying quantity. The General Formulation (GLE, Fredlund and Krahn 1977), which fully satisfies equilibrium conditions, was used for evaluating the stability of the marine slope. The submarine slope failure, which occurred on 16 October 1979 during the construction of the new Nice airport, was studied in order to test the developed model. Geotechnical parameters were taken from experimental tests carried out by IFREMER on 19 cores extracted at different depths (from 27 m to 1300 m) (Cochonat, Bourillet, and Savoye, 1993; Mulder et al., 1994). Many scenarios were proposed in order to explain the cause of the Nice slope failure (Habib, 1994). In this article, two of those scenarios were tested. Simulation results are presented and discussed.