DFT对Rb+水合团簇及其相关性质的分析

运用密度泛函理论(DFT)在ωB97XD/gen (O、H元素Aug-cc-PVDZ; Rb元素Lanl2DZ)基组水平上研究了[Rb(H_2O)_n]~+(n=1～12)水合团簇的结构和光谱学性质。研究结果表明,通过分析气相和液相中的稳定能以及水合团簇可知,稳定构型出现在8配位的团簇中。第一配位层水分子数为8时形成Rb~+第一近似饱和水合层。此外,拉曼光谱显示[Rb(H_2O)_n]~+(n=1～12)水合团簇中O-H伸缩振动峰随着水分子数增加发生移动和加宽,Rb~+发生水合时,O-H对称和非对称伸缩振动发生红移,随着水合数的增多,频率蓝移。此外,文中对拉曼光谱中O-H振动的频率位置结合团簇结构进行了说明。     

苯并（a）芘诱导下岩虫CYP基因的表达特征

Rapid amplification of cDNA ends(RACE) and real-time polymerase chain reaction(RT-PCR) were carried out to analyze the CYP4 gene expression in polychaete Marphysa sanguinea exposed to benzo[a]pyrene(BaP) in this study. The full length of MsCYP4 cDNA was 2 470 bp, and it encoded 512 amino acids. The deduced amino acid sequence showed 47% identity with CYP4 F from frog Xenopus tropicalis and shared high homology with other known CYP4 sequences. To analyse the role of CYP4 in protecting M. sanguinea from BaP exposure, three BaP groups were established: 0.5, 5 and 50 μg/L. Polychaetes were sampled after 3, 7 and 12 d. At 0.5 μg/L, the effect of BaP on MsCYP4 gene expression increased with time prolonged. MsCYP4 gene expression curve showed Ushaped trend with time in 5 and 50 μg/L BaP groups. Therefore, MsCYP4 gene may play an important role in maintaining the balance of cellular metabolism and protecting M. sanguinea from BaP toxicity.     

苯并[a]芘(BaP)对褐菖鲉(Sebasticus marmoratus)肝CYP1A1酶活性、基因表达及蛋白表达的影响

为了了解苯并[a]芘(BaP)对鱼类细胞色素P4501A1(CYP1A1)表达的影响,以褐菖鲉(Sebasticus marmoratus)为实验材料,采用体内实验,研究其在经过不同浓度(0.1、1、10、20、50mg/kg鱼体重量)的BaP诱导后,鱼体肝脏研究CYP1A1基因表达的情况,筛选出后续时间-效应实验中BaP注射的最佳浓度,研究BaP诱导6h、12h、1d、3d、7d后(质量浓度为20mg/kg鱼体重量)鱼体肝脏CYP1A1酶活性、基因表达和蛋白表达的情况。结果表明:剂量-效应实验中,20mg/kg鱼体重量为最佳浓度,此浓度下,基因表达在各组中变化最显著。时间-效应实验中,较空白对照组而言,染毒6h、12h和1d后,EROD酶活性显著增加。3d后开始下降,与对照组相比变化不大,7d后酶活性又发生上调。半定量RT-PCR结果表明,各染毒组与对照组相比,CYP1A1基因表达量都发生了上调,呈现先上升后下降的趋势。其中,6h和12h组相对表达量极显著增加,1d后开始下降且与3d和7d组相比变化不明显。Western blot结果表明,蛋白表达量在染毒12h后表现出显著的诱导效应,随着时间的延长略有回落,但与对照组相比仍有显著性差异。研究表明:BaP对褐菖鲉CYP1A1具有较强的诱导作用。一定质量浓度的BaP注射于褐菖鲉不同的时间后,能诱导褐菖鲉活体EROD酶活性、CYP1A1基因m RNA表达及蛋白表达,并随着时间的延长呈现先诱导后抑制的趋势。这说明BaP作为诱导剂对CYP1A1酶活性和蛋白表达的作用机制可能与调控CYP1A1的转录水平有关。     

Immunotoxicity effect of benzo[α]pyrene on scallop Chlamys farreri

The toxic effects of benzo[α]pyrene (B[α]P) at different concentrations (0.1, 0.5, 1, 2.5 and 7.5 μgL⁻¹) on scallop (Chlamy farreri) immune system were studied. The results showed that B[α]P had significant toxic effects on the haemocyte counts, neutral red uptake, phagocytosis, bacteriolytic and antibacterial activity (P<0.05), while the seawater control and acetone control had no significant differences. The haemocyte counts, neutral red uptake, phagocytosis and bacteriolytic activity in all B[α]P treatment groups as well as antibacterial activity in groups of 0.5, 1, 2.5 and 7.5 μgL⁻¹ B[α]P decreased significantly (P<0.05). Some of these indices tended to be stable on the sixth day and others on the ninth day, and the indices showed clear time- and concentration-response to B[α]P. Bacteriolytic activity in 0.1μgL⁻¹ B[α]P treatment group and antibacterial activity in 0.1 μgL⁻¹ and 0.5 μgL- B[α]P treatment groups increased at the beginning of exposure and reached their peaks on day 1 and day 6, respectively. Following that, both activities decreased gradually and became stable after day 9. When all the indices reached stability, they were significantly lower than those in control group (P<0.05), except for antibacterial activity in 0.1 μgL⁻¹ B[α]P treatment group (P>0.05). Thus, B[α] has evident toxic effects on scallop immune system, which supports the view that a relationship exists between pollution and immunomodulation in aquatic organisms.     

基于灰色马尔科夫链预测系统的设计与实现

通过对灰色GM[1,1]模型的算法改进,将改进后的灰色模型与马尔科夫链结合,既可以发挥灰色系统预测精确的特点,又可以利用马尔科夫链对准确预测波动性数据的优势。在灰色马尔科夫链模型的算法基础上,采用Visual Studio 2005开发环境,进行灰色马尔科夫链预测系统的设计。最后利用南方某地区十年来土地利用数据进行系统验证,结果表明,灰色马尔科夫链模型能很大地提高预测的精度和效果,符合实际要求。     

Free cupric ion concentrations and Cu complexation in selected Swiss lakes and rivers

[Cu²⁺] and Cu complexation parameters in some selected freshwater systems in Switzerland were determined by the technique of ligand-exchange and DPCSV. Results from the water columns of some eutrophic and oligotrophic lakes are presented and compared to small acid lakes. Cu is strongly complexed by organic ligands which with very high stability constants at low concentrations are probably biologically produced, as indicated by the seasonal variations in the eutrophic lakes and by the relationship between Cu complexation and algal activity in the eutrophic (pCu=15–16), oligotrophic (pCu=13–14) and acidic (pCu=9–10) lakes. The extent of Cu complexation in river waters was generally lower than in the eutrophic lakes, at similar DOC levels. No obvious correlation between Cu complexation and DOC was observed, indicating that Cu complexing ligands are specific organic compounds.     

东昆仑成矿带典型矿床分析

在综述东昆仑地区成矿地质背景及成矿条件的基础上,通过对肯德可克、驼路沟、督冷沟和大场等典型矿床的剖析,详细论述了矽卡岩型铁多金属矿、海相火山喷气沉积叠加后期改造型钴(金)矿、块状硫化物型铜钴矿和造山型金矿的成矿特征、成矿规律及找矿前景,并结合区域成矿模式、找矿模型和各类矿产、异常的空间分布特征确定出8个成矿远景区,13个找矿靶区。同时指出东昆仑各成矿带的成(找)矿潜力由大到小的依次排序为:昆南成矿带≈阿尼玛卿-北巴颜喀拉成矿带>昆北成矿带>>昆中成矿带。     

密肋复合墙体非线性数值分析及抗剪承载力研究

结合课题组前期的研究成果,通过对墙体中不同材料的本构模型、墙体中裂缝、多种材料的联结以及墙体边界条件的研究与探讨,运用通用有限元程序ANSYS对密肋复合墙体进行非线性有限元分析;并在试验结果与有限元模拟的基础上,依据极限平衡理论,建立起来复合墙体的斜截面抗剪极限承载力公式。理论分析与试验研究表明:复合墙体非线性有限元模型能够较好地模拟墙体内力和变形发展的全过程,描述裂缝的形成和扩展,对于实际工程和科学研究具有足够的精度;墙体斜截面抗剪承载力公式与实测值吻合较好,具有一定的精度,满足工程设计需要。     

Synthesis and Characterization of an Extractant [Bmim]PF_6 for Lithium Ion

正With the rapid increasing demand of metal lithium and its compounds in science and technology,studies on lithium recovery though lithium ion extraction from salt lake brines are blooming bacause more than 60 percent of     

The genotoxic effects of benzo[a]pyrene and methamidophos on black porgy evaluated by comet assay

In this study, two common pollutants （benzo[a]pyrene and methamidophos） in marine environment were tested by comet assay for their inducement of in vivo genotoxic effect to the blood cells of black porgy （ Acanthopagrus schlegeli）. The fish was exposed to 2 μg/L of benzo[a]pyrene （BaP） and methamidophos, and their mixture. The assay was performed on whole blood at 2 h, 5 h, 24 h and 96 h exposure intervals. A significant increase in DNA damage was observed in each treatment with the pollutants. Additive effect of BaP and methamidophos was also found in the experiment. However, the decrease ratios of DNA damage for 5 h and 96 h exposure interals compared with 2 h and 24 h exposure ones, respectively, were noticed. This phenomenon may be explained by the function of repairing process via enzyme cytochrome P450 in the animal. Evidence of the genotoxicity of organophosphorus pesticides （OPs） and polynuclear aromatic hydrocarbons （PAHs） on marine fish are discussed in this paper.