氧化钒晶体的半导体至金属相变的理论研究

本文利用第一性原理方法研究了金红石相和单斜相VO₂晶体的电子结构和热力学性质.在计算中采用局域密度近似结合Hubbard U模型(LDA+U)描述电子的局域强关联效应,同时也利用微扰密度泛函方法计算了两种相结构的声子谱.计算结果表明V原子3d电子轨道中x²-y²轨道能级分裂决定了VO₂晶体在不同相结构下的金属和绝缘体特性.零温状态方程计算揭示了在68 GPa时可以发生从单斜结构     

Spectroscopic ellipsometric study of the optical properties of Ag2O film prepared by direct-current magnetron reactive sputtering

The Ag₂O film, as-deposited by direct-current magnetron reactive sputtering at a substrate temperature of 150 °C, clearly shows a preferential orientation (111), and is capable of lowering the threshold value of the thermal decomposition temperature to about 200 °C, which is helpful to its application in optical and magneto-optical storage. This paper fits its optical constants in terms of a general oscillator model by using measured ellipsometric parameters. The fitted oscillator energy 2.487 eV is close to the optical direct interband transition energy value of the Ag₂O film determined by Tauc equation; whereas, the fitted oscillator energy 4.249 eV is far from the fitted plasma oscillator energy 4.756 eV by single-oscillator energy. The photoluminescence spectrum centred at about 2.31 eV indicates a direct-energy gap photoluminescence mechanism of the Ag₂O film.     

Balancing deformation in NW Borneo: Quantifying plate-scale vs. gravitational tectonics in a delta and deepwater fold-thrust belt system

Recent GPS measurements demonstrate that NW Borneo undergoes 4–6 mm of plate-scale shortening a year, which is not accommodated by plate-scale structures. The only geological structure in NW Borneo described to accommodate on-going shortening is the Baram Delta System located on the outer shelf to basin floor. Delta toe fold-thrust belts are commonly thought to be caused by margin-normal compressional stresses generated by margin-parallel upslope gravitational extension.     

秋季东海和南黄海表层海水CO_2体系各参数分布及海-气界面通量

根据2007年11月在东海和南黄海海域表层海水测得的TCO2和TA数据,计算了表层海水pCO2,结合现场环境对表层海水CO2体系各参数的分布进行了讨论,探讨了pCO2与海水温度及叶绿素的相关性,利用Wanninkhof(1992)提出的通量模式并采用加权平均法估算了整个调查海域的海-气CO2的净通量。结果表明:观测海域表层海水CO2系统各参量的分布呈明显的不均匀性,在水团的混合处往往是各参量的高值或低值中心。由相关性分析可知,pCO2的分布主要受海水温度的影响,生物活动的影响较弱。受秋季较大风速的影响,调查海域表现为强的CO2源,秋季可向大气释放CO2约为556×104tC。     

“MgO/AC”复合材料对水溶液中Cu~(2+)和Cr(Ⅵ)的吸附性能研究

用造纸草浆黑液和氯化镁为原料制得氧化镁/活性炭("MgO/AC")复合材料,分别测定了该复合材料对水溶液中Cu2+与Cr(Ⅵ)的脱除性能。Cu2+的吸附随pH值的升高而增大,pH=3时基本达到平衡;在实验考察的pH范围内(1~8),Cr(Ⅵ)的吸附呈单调递减趋势。动力学拟合结果表明,"MgO/AC"复合材料对Cu2+和Cr(Ⅵ)的吸附过程均符合伪二级动力学方程;两过程的吸附速率均随吸附温度的升高而增大,表现为吸热吸附;吸附活化能Ea分别为50.19,51.42 kJ.mol-1;"MgO/AC"复合材料对Cu2+的吸附优于对Cr(Ⅵ)的吸附。Cu2+在"MgO/AC"复合材料上的吸附过程用Langmuir模型描述更为合适,在293~323 K范围内,Cu2+的饱和吸附量为19.46~90.91 mg.g-1;Cr(Ⅵ)的吸附过程则更符合Freundlich模型。     

性类固醇激素及其受体在半滑舌鳎性腺分化发育过程中的表达与生理功能

首次用17β-雌二醇(E_2)及其受体(ERα)、睾酮受体(AR)的多克隆抗体在半滑舌鳎(Cynoglossus semilaevisG(u|¨)nther)性腺分化发育过程中进行免疫细胞化学定位研究。结果表明:在半滑舌鳎原始性腺中已有E_2、ERα和AR的分布和表达;卵原细胞、初级卵母细胞、精原细胞、初级精母细胞、次级精母细胞对E_2及ERα、AR抗体均呈现不同程度的阳性反应,在精细胞和精子中对E_2和ERα呈免疫阴性反应,而AR则一直保持较强表达,揭示了半滑舌鳎性腺中类固醇激素可能通过旁分泌调控机制刺激卵子和精子发育和成熟。性类固醇激素及其受体免疫阳性物定位在生殖细胞的胞质、胞膜和核膜等广泛部位并有表达,在性腺分化和不同发育时期的表达强度有所不同,表明其在性腺分化发育过程各阶段所起生理功能不同。这些结果为证明性类固醇激素及受体参与调节半滑舌鳎性腺分化发育提供了重要形态学新证据。     

悬浮物对半滑舌鳎(Cynoglossus semilaevis)幼鱼肝脏溶菌酶、超氧化物歧化酶和鳃丝Na+-K+-ATPase活力的影响

在实验室条件下构建不同的悬浮物浓度环境,采用试剂盒分析方法研究了不同浓度悬浮物对半滑舌鳎幼鱼肝脏溶菌酶（LSZ）、超氧化物歧化酶（SOD）和鳃丝Na^＋-K^＋-ATPase活力的影响。养殖水体中悬浮物浓度添加量分别为0（对照）、50、100、200和400mg／L,每5天采样测定一次,实验周期为25天。结果表明,当悬浮物浓度添加量为50和100mg／L时,肝脏LSZ和SOD活力与对照组无显著差异（P〉0．05）,当添加量为200和400mg／L时,肝脏LSZ和SOD活力与对照组有显著差异（P〈0．05）;实验后期各实验组鳃丝Na^＋-K^＋-ATPase活力与对照组均有显著差异（P〈0．05）。在悬浮物效应的25天内,各实验组肝脏LSZ活力呈峰值变化,10天时除100mg／L浓度添加组外均达到最大值;而肝脏SOD活力在50和100mg／L浓度添加组略有升高,在200和400mg／L浓度添加组则基本呈下降趋势;鳃丝Na^＋-K^＋-ATPase活力前10天各实验组较对照组无显著变化,之后则显著降低,后期基本趋于稳定,其活力低于初始水平;实验结束时,各实验组其肝脏LSZ、SOD和鳃丝Na^＋-K^＋-ATPase活力相对于对照组都受到了不同程度的抑制,其中各实验组鳃丝Na^＋-K^＋-ATPase活力抑制率分别达到了27．6％、65．2％、57．0％和71．1％。     

37°N断面营养盐和溶解氧的四季分布特征及变化*

以2006年7月至2007年10月期间,4个季节的4个航次对37°N断面的调查资料为依据,分析并讨论了该断面四季生源要素的分布特征以及变化趋势.结果表明:该断面受黄海冷水团和陆源输入的影响,东西两侧的生源要素及温盐特征明显不同.夏季断面东倒由于受到冷水团的控制,底层出现明显的低温、高盐、高营养盐和高溶解氧的特征,并且跃层明显;西侧浅水区的温盐及生源要素的变化则相对均匀.冬季由于温跃层的消失,上下水体混合均匀,故而温盐及生源要素的垂直分布趋于均匀,断面西侧由于受到陆源输入的影响营养盐的浓度明显较东侧高.春季是增温降盐,营养盐逐渐消耗,东侧温跃层逐渐形成的过程;而秋季则恰恰相反.     

Denitrification in Qi'ao Island coastal zone, the Zhujiang Estuary in China

Samples of sediments and the overlying water were collected in the Qi'ao Island coastal zone, the Zhujiang (Pearl River) Estuary (ZE). Denitrification rates, sediment oxygen demand (SOD) , and fluxes of inorganic nitrogen compounds were investigated with N2 flux method, using a self-designed continuous flow through and auto-sampling system. The results indicate that the denitrification rates varied between 222 and 908 μmol/(m2·h) with an average of 499 μmol/(m2·h). During incubation, the sediments absorbed dissolved oxygen in the overlying water with SOD ranging from 300 to 2 363 μmol/(m2·h). The denitrification rates were highly correlated with the SOD (r2 =0.77) regardless of the NO3- + NO2- concentrations in the overlying water, organ- ic carbon contents in sediments and water temperature, suggesting that the SOD was probably the main environ-mental factor controlling the denitrification in the Qi'ao Island coastal zone. There was a net flux of NO3- + NO2-into the sediments from the overlying water. The NH4+ flux from sediments into water as the result of mineraliza-tion was between 12. 3 and 210. 3 μmol/(m2·h) ,which seems limited by both organic carbon content in sedi-ment and dissolved oxygen concentration in the overlying water.     

镉和汞两种重金属离子对四角蛤蜊的急性毒性

采用毒理学实验方法,比较研究了Cd~(2+)和Hg~(2+)对四角蛤蜊(Mactra veneriformis Reeve)急性毒性效应的差异,以期为进一步评价重金属离子对四角蛤蜊的毒性效应和作用机理等提供理论依据.死亡概率单位和实验液浓度对数的线性回归分析表明,Cd~(2+)对四角蛤蜊在24、48和96 h的半致死浓度(LC_(50))分别为15.961、5.149和2.383 mg/L,Hg~(2+)的LC_(50)分别为3.714、0.607和0.207 mg/L;Cd~(2+) 和Hg~(2+) 对四角蛤蜊的安全质量浓度分别为0.023 8 mg/L和0.002 1 mg/L,分别是我国渔业水质标准(GB11607-89)限定量的4.76倍和4.02倍.