Using Molecular Dynamics to Predict Factors Affecting Binding Strength and Magnetic Relaxivity of MRI Contrast Agents

We demonstrate the use of molecular dynamics and molecular mechanics methods to calculate properties and behavior of metal-chelate complexes that can be used as MRI contrast agents. Static and dynamic properties of several known agents were calculated and compared with experiment. We calculated the static properties such as the q-values (number of inner shell waters) and binding distances of chelate atoms to the metal ion for a set of chelates with known X-ray structure. The dynamic flexibility of the chelate arms was also calculated. These computations were extended to a series of exploratory chelate structures in order to estimate their potential as MRI contrast agents. We have also calculated for the first time the NMR relaxivity of an MRI contrast agent using a long (5 nsec) molecular dynamics simulation. Our predictions are promising enough that the method should prove useful for evaluating novel candidate compounds before they are synthesized. One novel static property, the projected area of chelate atoms onto a virtual surface centered on the metal ion (gnomonic projection), was found to give an effective measure of how well the chelate atoms use the free space around the metal ion.     

HCV5＇端非编码区cDNA的体外转录

采用逆转录聚合酶链反应（ＲＴ－ＰＣＲ）从广东省一例慢性丙型肝炎病人血清中获得丙型肝炎病毒（ＨＣＶ）５＇端非编码区（５＇ＮＣＲ）３０２ｂｐ的ｃＤＮＡ片段,经补齐和提纯后插入ｐＵＣ１９质粒,获得的重组体ｐＵＮ进行序列测定。将ｐＵＮ的目的基因亚克隆进体外转录载体ｐＳＰＯＲＴＩ多克隆位点的ＥｏｏＲＩ和ＰｓｔＩ切点之间,所得重组体ｐＳＮ线性化后由Ｔ＿７ＲＮＡ多聚酶及ＳＰ６ＲＮＡ多聚酶引导体外转录反应,产物经凝胶电泳及特异引物ＲＴ－ＰＣＲ,证实ＳＰ６引导的是正义ＲＮＡ,Ｔ７合成的是反义ＲＮＡ,其大小分别力４２９ｂｐ和３６２ｂｐ。并证实所得ＲＮＡ力ＨＣＶ５＇ＮＣＲｃＤＮＡ转录而来。获得的ＨＣＶ５＇ＮＣＲｃＤＮＡ和ＲＮＡ在常规逆转录和ＰＣＲ步骤中用于设立有效的模板对照,对消除假用性及评估试剂有重要意义。同时,ＨＣＶ５＇ＮＣＲ体外转录载体的构建可用于制各ＲＮＡ探针和反义ＲＮＡ,改进后还可作为定量ＰＣＲ的竞争性模板。     

Expression of betaine aldehyde dehydrogenase gene and salinity tolerance in rice transgenic plants

Betaine as one of osmolytes plays an important role in osmoregulation of most high plants. Betaine aldehyde dehydrogenase C BADH) is the second enzyme involved in betaine biosynthesis. The BADH gene from a halophite, Atriplex hortensis, was transformed into rice cultivars by bombarment method. Totally 192 transgenic rice plants were obtained and most of them had higher salt tolerance than controls. Among transgenic plants transplanted in the saline pool containing 0.5% NaCl in a greenhouse, 22 survived, 13 of which set seeds, and the frequency of seed setting was very low, only 10% . But the controls could not grow under the same condition. The results of BADH ac-tivity assay and Northern blot showed that the BADH gene was integrated into chromosomes of transgenic plants and expressed.     

中国Btken-Ag的特性及其杀虫毒肽的研究

苏芸金芽孢杆菌肯尼亚亚种Ag株(Bacillus thuringiensis serovar.kenyae strainAg,以下简称为Btken-Ag)是血清型H4a-4c中对棉铃虫、粘虫等多种夜蛾科害虫具有高毒力的优良品系,经生理生化、H抗原、酯酶谱、抗生谱和质粒谱等性状比较分析,与标准株肯尼亚亚种023大体相同,但其质粒谱及伴孢晶体多肽组分与023明显有别.该菌株伴孢晶体多形,其主要杀虫成分为61000多肽,经ELISA同源分析,此毒肽与同血清型中的023、7501晶体蛋白高度同源,与商品生产株H3a-3b—HD-1株部分同源,与对蚊虫高效的H14-1897及球形芽孢杆菌Ts-1无同源性.此外,对H4中10株相关株、H7-5、HD-1及1897共13株进行了对棉铃虫、粘虫及蚊虫的杀虫毒力比较测定,其中Btken-Ag的优选株H4-1及b1-4对棉铃虫的毒力高于023株及HD-1株.     

沙坡头人工固沙区的种子库动态

沙坡头人工固沙区的土壤种子库中共有４６种植物的种子,属于１７个科。其中菊科植物最多,达１１种;其次为藜科,７种;禾本科７种;豆科４种。既是现有植被组分种,其种子又存在于种子库中的,占总种数的３３．３％ 。油蒿（Ａｒｔｅｍ ｉｓｉａ ｏｒｄｏｓｉｃａ）、花棒（Ｈｅｄｙｓａｒｕｍ ｓｃｏｐａｒｉｕｍ ）和柠条（Ｃａｒａｇａｎａ ｋｏｒｓｈｉｎｓｋｉｉ）的种子产量为５４５±６７６．７３粒／ｍ ２、６．６７±１３．７４粒／ｍ ２、０．０３２±２．４３×１０－ ３粒／ｍ ２。油蒿在植株上成熟时不受虫害,而花棒、柠条的种子受害比例分别为３１．９２％ 和８３．２９％ 。在最适埋藏深度下,油蒿、柠条、花棒种子的累积发芽率分别可达７８．３％ 、８５．０％ 和６６．７％ ;萌发速度：油蒿＞ 柠条＞ 花棒。根据种子库动态分析和植被调查结果可初步预测：沙坡头人工固沙植被的演替趋向将是灌木以油蒿为主,草本以雾冰藜（Ｂａｓｓｉａ ｄａｓｙｐｈｙｌｌａ）、小画眉草（Ｅｒａｇｒｏｓｔｉｓｐｏａｅｏｉｄｅｓ）为主的群落     

中国主要五针松群落学特征及其生物量的研究

本文根据现有的文献资料,系统地分析了中国五针松的分布．群落学特征,按不同分布区、不同群落类型探讨了中国五针松的群落生物量和年净生产量及在群落的不同层次上的分布．比较分析了不同分布区五针松的年干物质累积速度（ＮＰ／Ｂ）．结果表明：１１５─１３５ａ生的阔叶红松林群落生物量在９７．０９─１２０．５１ｔ／ｈｍ￣２之间,年净生产量在８．６９８─１０．３４ｔ／ｈｍ￣２．ａ之间,年净生产量长白山山脉沙松、鹅耳枥红松林＞小兴安岭南坡枫桦、水曲柳红松林＞小兴安岭北坡云杉、冷杉红松林;３０─３６ａ生的华山松林群落生物量在７８．７５─９４．７３ｔ／ｈｍ￣２之间,年净生产量在４．９９３─５．５３７ｔ／ｈｍ￣２．ａ之间,年净生产量贵州山地常绿阔叶华山松林＞秦岭中山地阔叶华山松林＞甘肃小陇山针阔叶华山松林．ＮＰ／Ｂ值：长白山山脉的阔叶红松林＞小兴安岭山脉的阔叶红松林;秦岭中山地阔叶华山松林＞甘肃小陇山针阔华山松林＞贵州中山地常绿阔叶华山松林．     

双碳源单细胞蛋白间歇培养及流加培养的动力学模型

应用非结构的逻辑增殖模型研究了两种酵母的单碳源和双碳源单细胞蛋白间歇培养的动力学,用改进的逻辑增殖模型研究了双碳源流加培养过程的动力学,从实验数据拟合了动力学模型参数,模型计算值与实验数据吻合良好。