Ab initio prediction of 29Si-NMR chemical shifts

The ability of several ab initio models to predict experimental ²⁹Si-NMR chemical shift is examined. The shielding values of trimethylsilyl chloride (A), t-butyldimethylsilyl chloride (B) and allytrimethylsilane (C) are calculated by GIAO, CSGT and IGAIM methods, using HF/6–31G^*, B3LYP/6-31G^*, HF/6–311+G^**, B3LYP/6–311+G^** and MPW1PW91/6–311+G^** models respectively. The ²⁹Si chemical shifts calculated by GIAO method using HF/6–311+G^** model are highly in agreement with those obtained experimentally. All of the models above reproduce the trends of chemical shifts in all cases studied, suggesting that the models are of practical value.     

黄陵背斜的构造几何形态及其成因探讨

黄陵背斜位于扬子克拉通的东缘,其核部出露的崆岭群被认为是扬子克拉通的基底岩石,并成为华南地质学研究的热点地区。从区域上看,黄陵背斜紧邻江汉盆地,东西两侧分别是荆当盆地与秭归盆地,黄陵背斜和周缘盆地构成明显的隆起—坳陷相互对应的构造。详细的野外观察和构造几何学的剖析表明,黄陵背斜的两翼西陡东缓,构成不对称背形的穹隆构造。在穹隆形成过程中,相应的岩石变形以顺层滑脱及相关的褶皱和小规模的逆冲断层为主,在早三叠世薄层灰岩、志留纪龙马溪组页岩、奥陶纪灰岩、寒武纪炭质灰岩以及震旦纪陡山沱组薄层灰岩广泛发育,并具有垂向缩短的重力滑脱特点,构造叠加关系指示了其形成于晚侏罗—早白垩纪之间。在构造变形分析的基础上,并深入探讨了黄陵背斜成因的3种可能的动力学背景。     

大西洋中脊热液硫化物的矿物学研究

利用１９８９年在大西洋热液活动区采集的块状硫化物样品，采用矿相显微镜、电子显微镜和电子探针等手段，进行了矿物共生组合、矿物形态与成分标型及其演化特征研究。结果表明，大西洋热液成矿作用可以划分为热液期与沉积期两个成矿期，和石英－黄铁矿阶段、黄铁矿阶段、多金属硫化物阶段、胶状黄铁矿阶段和非晶质ＳｉＯ２阶段等５个成矿阶段；不同成矿阶段黄铁矿的共生矿物和矿物特征不同，在晶体形态上具有从单形晶－聚形晶－胶状     

Effects of PCBs sorbed to algal paste and sediments on the stress protein response (HSP70 family) in the eastern oyster, Crassostrea virginica.

This study examined the stress protein response (HSP70 family) of reproductively inactive oysters fed 0.7 g algal paste containing 0, 0.35 and 3.5 micrograms polychlorinated biphenyls (PCBs) daily. A second set of treatment groups investigated the combined effect of PCBs and sediments (0.3 g sediments daily per oyster) on HSP70 response. After 8 weeks of PCB exposure, oyster tissues (mantle and gill) were sampled and analyzed for HSP70. Preliminary results did not show a significant effect in HSP70 response in oysters fed PCB sorbed to algal paste, albeit PCBs accumulated up to 1342 ng/g dry weight in the mantle, and up to 180 ng/g dry weight in gill tissues. However, the addition of sediments caused a significant increase in HSP70 levels of gills and mantle, although the mantle was less sensitive to the sediments.     

CICE5.0与BCC_CSM2.0模式的耦合及对北极海冰的模拟评估

本文将美国Los Alamos国家实验室发展的最新海冰模式CICE5.0引入国家气候中心气候系统模式BCC_CSM2.0,替代原有的海冰模式SIS,形成一个新的耦合模式。在此基础上,评估新耦合模式对1985-2009年北极海冰的模拟性能,检验引入CICE5.0后对耦合模式中北极海冰、海洋和大气模拟结果的改进。结果表明,引入CICE5.0后,模式能较好地模拟出北极海冰的空间分布、季节以及年际变化特征。相比于旧版本耦合模式,新耦合模式模拟的北极多年冰增多、一年冰减少,同时,海冰增厚、海冰流速减慢,模拟效果得到显著改进,对波弗特涡流模拟的改善尤为明显。进一步分析发现,相比于SIS,CICE5.0对北极海冰特别是海冰厚度模拟性能的提升,在耦合进入BCC_CSM2.0后,会触发冰-温的正反馈机制,改进了模式对海平面气压场、表层气温和海表温度的模拟,由此进一步提高了模式对北极海冰的模拟能力。     

长江品崇明东滩盐沼前缘地带悬浮泥沙横向通量的潮周期变化

对长江口崇明东滩盐沼边缘及邻近光滩处的水深、流速和悬沙含量的潮周期变化过程进行了现场实测,并对横向悬沙通量进行了计算和分析.研究结果表明,在平静天气条件下光滩和盐沼上的流速过程有明显差异,植被缓流作用在落潮期更为显著,流速在涨潮由光滩向盐沼不断增大.与涨潮流速优势相对应,涨潮期平均悬沙含量是落潮期的1.8倍.横向悬沙通量以向岸输移为主,悬沙总通量与潮次内最大水深的四次方呈显著正相关.在平静天气条件下潮汐作用控制着盐沼前缘地带泥沙输移水平,盐沼滩面保持稳定淤积,前缘光滩淤积速率高于盐沼处的,盐沼逐渐向海延伸.在大风天气条件下潮次内的流速和悬沙含量水平提高了数倍,悬沙输移量大增,净输移仍以向岸方向为主,在盐沼上部和前缘光滩均可能在短期内发生大量淤积.     

Sr2CoO4-δ薄膜中的自旋玻璃态的磁性质研究

用脉冲激光沉积方法(PLD)在铝酸镧衬底上制备了c取向的高氧空位含量的锶钴氧薄膜.X射线衍射分析表明薄膜单一取向且没有明显杂相.原位的高气压反射式高能电子衍射仪(RHEED)监测显示,薄膜为层状生长.通过对薄膜磁化强度随温度、磁场及时间的变化曲线进行测量,发现零场冷曲线上可能存在两个特征温度:T_f和T_a.T_f为对应玻璃态的冻结温度而T_a对应少量的不缺     

Feeding ecology of mesopelagic zooplankton of the subtropical and subarctic North Pacific Ocean determined with fatty acid biomarkers

Mesopelagic zooplankton may meet their nutritional and metabolic requirements in a number of ways including consumption of sinking particles, carnivory, and vertical migration. How these feeding modes change with depth or location, however, is poorly known. We analyzed fatty acid (FA) profiles to characterize zooplankton diet and large particle (>51 μm) composition in the mesopelagic zone (base of euphotic zone ?1000 m) at two contrasting time-series sites in the subarctic (station K2) and subtropical (station ALOHA) Pacific Ocean. Total FA concentration was 15.5 times higher in zooplankton tissue at K2, largely due to FA storage by seasonal vertical migrators such as Neocalanus and Eucalanus. FA biomarkers specific to herbivory implied a higher plant-derived food source at mesotrophic K2 than at oligotrophic ALOHA. Zooplankton FA biomarkers specific to dinoflagellates and diatoms indicated that diatoms, and to a lesser extent, dinoflagellates were important food sources at K2. At ALOHA, dinoflagellate FAs were more prominent. Bacteria-specific FA biomarkers in zooplankton tissue were used as an indicator of particle feeding, and peaks were recorded at depths where known particle feeders were present at ALOHA (e.g., ostracods at 100–300 m). In contrast, depth profiles of bacterial FA were relatively constant with depth at K2. Diatom, dinoflagellate, and bacterial biomarkers were found in similar proportions in both zooplankton and particles with depth at both locations, providing additional evidence that mesopelagic zooplankton consume sinking particles. Carnivory indices were higher and increased significantly with depth at ALOHA, and exhibited distinct peaks at K2, representing an increase in dependence on other zooplankton for food in deep waters. Our results indicate that feeding ecology changes with depth as well as by location. These changes in zooplankton feeding ecology from the surface through the mesopelagic zone, and between contrasting environments, have important consequences for the quality and quantity of organic material available to deeper pelagic and benthic food webs, and for organic matter sequestration.     

Exponential leap-forward gradient scheme for determining the isothermal layer depth from profile data

Two distinct layers usually exist in the upper ocean. The first has a near-zero vertical gradient in temperature (or density) from the surface and is called the isothermal layer (or mixed layer). Beneath that is a layer with a strong vertical gradient in temperature (or density), called the thermocline (or pycnocline). The isothermal layer depth (ILD) or mixed layer depth (MLD) for the same profile varies depending on the method used to determine it. Also, whether they are subjective or objective, existing methods of determining the ILD do not estimate the thermocline (pycnocline) gradient. Here, we propose a new exponential leap-forward gradient (ELG) method of determining the ILD that retains the strengths of subjective (simplicity) and objective (gradient change) methods and avoids their weaknesses (subjective methods are threshold-sensitive and objective methods are computationally intensive). This new method involves two steps: (1) the estimation of the thermocline gradient G _th for an individual temperature profile, and (2) the computation of the vertical gradient by averaging over gradients using exponential leap-forward steps. Such averaging can filter out noise in the profile data. Five existing methods of determining the ILD (difference, gradient, maximum curvature, maximum angle, and optimal linear fitting methods) as well as the proposed ELG method were verified using global expendable bathythermograph (XBT) temperature and conductivity–temperature–depth (CTD) datasets. Among all the methods considered, the ELG method yielded the highest skill score and the lowest Shannon information entropy (i.e., the lowest uncertainty).