二维分子形状和定量手性程度的研究

以二进制编码描述苯环型化合物分子在二维空间的形状,所得到的编码能够区分二维平面上一对苯环型化合物对映体。由于对映体的二进制编码不同,基于化合物和其镜像的编码计算得到了海明距离,并以其表征1对对映体的定量手性程度。以28对周长为22的手性苯环型化合物对映体为实例,计算苯环型化合物的定量手性程度,其结果仅仅有2个数值,分别为海明距离4和6。具有不同形状的该类化合物很多,为了提高分辨率,分别计算了窗口宽度从1～16时的海明距离,并分别以其来代表定量手性程度。结果显示全部16个窗口的海明距离的加和具有最大的区分能力,共得到17种海明距离。如果将每一窗口的细节引入到计算中,并采用类似的方法计算,则实例中所有的28个苯环型化合物实现了完全的区分,所得到的定量手性程度的区分能力是令人满意的。本研究证明如果用适当的编码来描述二维空间中分子的边界,能够解决分子形状的定量表征。尽管本文的二进制编码衍生于平...

α-羰基烯酮式环二硫代缩醛化学(V)——β,β-1,3-亚丙二硫基-α,β-不饱和芳酮类化合物的合成

β,β-二烷硫基-α,β-不饱和酮类化合物作为一类具多反应中心的活泼中间体在有机合成中的应用,近20年来已引人注目并进行了深入广泛的研究~[1,2].以往的研究大多是针对β,β-二甲硫基-α,β-不饱和酮类化合物1进行的,而对结构相近的β,β-1,3-亚丙二硫基-α,β-不饱和酮类化合物2的研究较少.对于1类的合成,所用碱的选择至关重要~[1].实验证明叔丁醇钠和叔丁醇钾~[3～5]在1类的合成中效果较好.前文~[6]曾以六甲基二硅氨基锂(LHMDS)为碱高

cDNA cloning, characterization and expression analysis of the antioxidant enzyme gene, catalase, of Chinese shrimp Fenneropenaeus chinensis

Catalase is an important antioxidant protein that protects organisms against various oxidative stresses by eliminating hydrogen peroxide. The full-length catalase cDNA of Chinese shrimp Fenneropenaeus chinensis was cloned from the hepatopancreas using degenerate primers by the method of 3' and 5' rapid amplification of cDNA ends PCR. The cDNA sequence consists of 1892 bp with a 1560 bp open reading frame, encoding 520 amino acids with high identity to invertebrate, vertebrate and even bacterial catalases. The sequence includes the catalytic residues His71, Asn144, and Tyr354. The molecular mass of the predicted protein is 58824.04 Da with an estimated pl of 6.63. Sequence comparison showed that the deduced amino acid sequence of F. chinensis catalase shares 96%, 73%, 71% and 70% identity with that of Pacific white shrimp Litopenaeus vannamei, Abalone Haliotis discus hannai, Zhikong scallop Chlamys farreri and Human Homo sapiens, respectively. Catalase transcripts were detected in hepatopancreas, hemocytes, lymphoid organ, intestine, ovary, muscle and gill. by real-time PCR. The variation of catalase mRNA transcripts in hemocytes and hepatopancreas was also quantified by real-time PCR and the result indicated that the catalase showed up-regulated expression trends in hemocytes at 14 h and in hepatopancreas at 37 h after injection with white spot syndrome virus (WSSV). (c) 2008 Elsevier Ltd. All rights reserved.

海藻抗肿瘤抗细菌生物活性物质的研究

该文对近四年来海洋抗肿瘤药物的研究现状和大型海藻天然产物的研究现状进行了简要的综述.概述了近年来世界各国的海藻抗肿瘤筛选方面的工作进展;总结了近年来从蓝藻、甲藻、红藻、褐藻、绿藻中分离的活性化合物,其中包括已经进入临床研究阶段的Scytophycin、Halomon、Cryptophycin、Malyngamide、Tolytoxin等.综述了近四年来从大型海藻中分离的约100个天然化合物,其中大部分具有重要的生物活性.以采自山东沿海的39种海藻的96个样品为材料,进行了较系统的抗肿瘤生物活性的筛选,共发现了8种有选择性抗肿瘤活性的海藻.运用薄层层析方法对10种海藻提取物的抗金黄色葡萄球菌和大肠杆菌活性进行了研究,发现褐藻提取物的抗菌活性最高,红藻的抗菌活性较低,而绿藻门海藻几乎没有活性.红藻门的松节藻、鸭毛藻有一定的活性.褐藻门的酸藻和海黍子活性较高.酸藻和海黍子的3个强抗菌活性带对金黄色葡萄球菌的抑菌圈直径分别为33mm、17mm和17.5mm,酸藻水相的2个活性带还能抑制大肠杆菌,其抑菌圈直径分别为21mm和16mm.对山东沿海分布量较大的两种海藻进行了先导化合物的分离纯化和结构鉴定.对萱藻和松节藻中得到的纯化合物和其它粗提物进行了细胞毒活性的检验.

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.

The behaviors and sources of dissolved arsenic and antimony in Bohai Bay

In this paper, we determined the concentrations of antimony species (antimonite (Sb(III)), antimonate (Sb(V)) and dissolved inorganic antimony (DISb)) and arsenic, in Bohai Bay seawaters, as well as the relationships of the analytes with environmental factors such as seawater characteristics (e.g., suspended particulate material (SPM), salinity and total organic carbon (TOC)), heavy metals, nutrients and phytoplankton species, and evaluated the sources of arsenic and antimony. Dissolved arsenic and antimony concentrations in the surface waters were ranging spatially from 1.03 to 1.26 ng/ml and 0.386 to 1.075 ng/ml, with mean values of 1.18 and 0.562 ng/ml, respectively. Sb(V) as the prominent chemical species constituted about 89%. Regarding arsenic concentrations in the surface waters, there was a tendency for a small variation. However, antimony species concentrations were much variable than arsenic. The highest arsenic and antimony concentrations were found near the Haihe Estuary. These distribution patterns were controlled mainly by environmental factors, biological activities and sources. In this region, DISb and Sb(V) negatively correlated with salinity. Besides, arsenic and antimony correlated well with the nutrients, chlorophyll a and phytoplankton, implying that arsenic and antimony had been involved in biological cycling. In addition, according to our estimate, about 333.5 x 10(8) mg/year of arsenic and 454.2 x 10(8) mg/year of antimony reached Bohai Bay via rivers. (C) 2010 Elsevier Ltd. All rights reserved.

印度与欧亚板块强烈相互作用区深部结构特征研究

The central-south Tibet is a part of the products of the continental plate collision between Eurasia and India. To study the deep structure of the study area is significant for understanding the dynamics of the continental-continental collision. A 3-D density model matched well with the observations in the central-south Tibet was proposed in this study. In addition, this study has also used numerical simulation method to prove that Quasi-Love (QL) wave is deduced by anisotropy variation but not by lateral heterogeneity. Meanwhile, anisotropy variation in the upper mantle of the Qiangtang terrane and Lhasa terrane is detected by the QL waves observed in recorded seismograms. Based on the gravity modeling, some results are summarized as follows: 1) Under the constrain of geometrical structure detected by seismic data, a 3-D density model and Moho interface are proposed by gravity inversion of the central-south Tibet. 2) The fact that the lower crustal densities are smaller than 3.2 g/cm3, suggests absence of eclogite or partial eclogitization due to delamination under the central-south Tibet. 3) Seismicity will be strong or weak in the most negative Bouguer gravity anomaly. So there is no a certain relationship between seismicity and Bouguer gravity anomaly. 4) Crustal composition are determined after temperature-pressure calibration of seismic P wave velocity. The composition of lower crust might be one or a mixture of: 1. amphibolite and greenschist facies basalt beneath the Qiangtang terrane; 2. gabbro-norite-troctolite and mafic granulite beneath the Lhasa terrane. Because the composition of the middle crust cannot be well constrained by the above data set, the data set published by Rudnick & Fountain (1995) is used for comparison. It indicated the composition of the middle crust is granulite facies and might be pelitic gneisses.Granulite facies used to be interpreted as residues of partial melting, which coincidences with the previous study on partial melting middle crust. Amphibolite facies are thought to be produced after delamination, when underplating works in the rebound of the lower crust and lithospheric mantle. From the seismology study, I have made several followed conclusions: 1) Through the numerical simulation experiment of surface wave propagating in heterogeneity media, we can find that amplitude and polarization of surface wave only change a little when considering heterogeneity. Furthermore, it is proved that QL waves, generated by surface wave scattering, are caused by lateral variation of anisotropy but not by heterogeneity. 2) QL waves are utilized to determine the variation of uppermost mantle anisotropy of the Tibetan plateau. QL waves are identified from the seismograms of the selected paths recorded by the CAD station. The location of azimuth anisotropy gradient is estimated from the group velocities of Rayleigh wave, Love wave and QL wave. It suggests that south-north lateral variation of azimuthal anisotropy locates in Tanggula mountain, and east-west lateral variation in the north of Gandese mountain with 85°E longitude and near the Jinsha river fault with 85°E longitude.

内蒙古龙头山Ag-Pb-Zn多金属矿床成矿模式及找矿模型

The recent years research indicated that middle-south section of Da Hinggan Mountains metallogenic belt has two periods(Hercynian and Yanshanian) characteristics of metallogenesis, as well as the most of ore deposits in the area closely relate to Permian strata. Longtoushan ore deposit discovered in 2004 is an Ag-Pb-Zn polymetallic ore deposit born in Permian and located in the east hillside of the metallogenic belt, which has considerable resources potentials. It has important research value for its good metallogenic location and blank research history. Base on the detail field geology studies, the geology characteristics of "two stages and three kinds of metallogensis" has established. According to further work through geochemistry research including trace element, REE, S, Pb and Sr isotope, as well as petrography, microtemperature measurement, Laser Raman analysis and thermodynamics calculation of fluid inclusion, origin and characteristic of the ore-forming material and fluid has been discussed. And a new technology of single pellet Rb-Sr isochrones has been tried for dating its born time. Bae on above work, study of ore deposit comparison has been carried out, and metallogesis controlling factor and geological prospecting symbol have been summarized. Finally, metallogenic model and prospecting model have been established. According to above, the next step work direction has been proposed. Main achievement of the paper are listed as follow: 1.Longtoushan ore deposit has experienced two metallogenic periods including hot-water sedimentation period and hydrothermal reformation period. There are three kinds of metallizing phase: bedded(or near-bedded) phase, vein-shaped phase and pipe-shaped phase. The mian metallogenic period is hot-water sedimentation period. 2.Ore deposit geochemistry research indicated that the metal sulfides have charcateristic of hot-water sedimentation metallogensis, but generally suffered later hydrothermal transformation. The barite mineral isotope content is homogenous, showing the seabed hot-water sedimentation origin characteristic. Wall rock, such as tuff is one of metallogenic material origins. Both of Pb model age and Rb-Sr isochrone research older age value than that of strata, possibly for been influenced by hydrothermal transformation, and interfusion of ancient basis material. 3.There are two kinds of main metallogenic fluid inclusion in barite of the Longtoushan ore deposit, which are rich gas phase( C type) and liquid phase (D type). Their size is 2～7um, and principal components is H2O. Both kinds of fluid inclusion have freezing point temperature -7.1～-2.4℃ and -5.5～-0.3℃, salinity 4.0～10.6wt% and 0.5～8.5wt%, homogeneous temperature 176.8～361.6℃ and 101.4～279.9℃, which peak value around 270℃ and 170℃, respectively. Density of the ore-forming fluid is 0.73～0.97g/cm3, and metallogenic pressure is 62.3×105～377.9×105Pa. Above characteristic of the fluid inclusion are well geared to that of ore deposit originated in seabed hot-water sedimentation. 4.Through the comparison research, that Longtoushan ore deposit has main characteristic of hot-water sedimentation ore deposit has been indicated. Ore-forming control factor and prospecting symbol of it has been summarized, as well as metallogenic model and prospecting model. Next step work direction about prospecting has also been proposed finally.