C60与碱金属离子相互作用的理论研究

采用密度泛函理论研究方法,在PBE/DZP水平上对M …C60(M=Li,Na,K,Rb,Cs)复合物进行了系统的理论研究.对复合物的可能构型进行了全优化,获得了复合物的几何构型、相互作用能及电荷转移量等重要信息.计算结果表明,碱金属离子导致了复合物中C60分子C-C键长有不同程度的增长.同时,通过能量分解分析,复合物的相互作用能与碱金属离子半径呈现出规则的递变规律,并且在相互作用能的各分量中,轨道相互作用在总的吸引作用中占绝对优势.通过电荷分析很好的解释了上述结构特征和能量特征的描述.     

稀土阳离子对铬酸阴极还原的影响

1.铬酸在玻璃碳电极上的还原的第一步是生成Cr(Ⅲ),第二步有Cr(Ⅱ)生成,它们在表面上以阴极膜的形式存在,造成还原过程中出现两次钝化,这些反应不是简单地被纯扩散或电荷传递控制的过程.2.Ce(Ⅳ).La(Ⅲ)等阳离子的存在会影响铬酸的还原过程,使钝化增加,还原电流降低,有利于镀液性能的改善.     

中国大气Ca2+传输和沉降模拟

盐基阳离子(Ca2 ,Mg2 ,K ,Na )在缓解土壤和水体酸化中起着重要作用。为了满足中国酸沉降控制的需要,该研究利用建立的多层动态Euler模型模拟中国大气Ca2 传输和沉降。结果表明:2000年中国的Ca2 总沉降量为5.29 Mt,其中湿沉降1.45 Mt,干沉降3.84 Mt。人为源排放对全国总沉降、湿沉降和干沉降的贡献率分别为67.1%、92.4%和57.6%,对东南部地区的贡献率更大,而自然源仅对西北地区的沉降起重要作用。中国酸沉降较为严重的东南部地区,Ca2 沉降量普遍大于0.10 kmol.hm-2.a-1,甚至超过0.25 kmol.hm-2.a-1,能够中和大部分的SO42-沉降。     

金属离子对钢在没食子酸/硫酸介质中的腐蚀行为研究

 用失重法研究了4种金属离子(Na⁺,Zn²⁺,Cu²⁺,Fe³⁺)在0.5 mol/L H₂SO₄以及500 mg/L没食子酸+0.5 mol/L H₂SO₄介质中在20℃对冷轧钢腐蚀行为的影响.结果表明:Cu²⁺对钢的腐蚀起抑制作用;而其余3种金属离子(Na⁺,Zn²⁺,Fe³⁺)对钢的腐蚀起加速作用.在相同条件下,冷轧钢在0.5 mol/L H₂SO₄溶液中的腐蚀速率顺序为:Cu²⁺2++3+;而在500 mg/L没食子酸+0.5 mol/L H₂SO₄介质中,腐蚀速率顺序为:Cu²⁺2+3++.     

鼎湖山不同演替阶段土壤酸性阳离子淋溶动态研究

 采用室内土柱模拟实验,对鼎湖山不同演替阶段(演替早期的针叶林、演替中期的混交林和演替后期的阔叶林)森林土壤酸性阳离子的淋溶动态及机理进行研究。结果表明,土壤滤出液酸性阳离子的释放浓度及电导率(EC)与土壤所处的演替阶段密切相关,即与本底值密切相关。随着模拟酸雨处理时间的增加,滤液EC呈下降趋势,pH逐渐上升,在淋溶的第6天略有下降,且滤液pH和EC呈极显著负相关(P< 0.001;R= -0.81)。滤液中H⁺浓度及EC变幅均以演替早期针叶林最大,混交林最小。各演替阶段土壤Al³⁺溶出随着淋溶时间的延长迅速下降,但在第6天有进一步被活化的趋势。针叶林和混交林Fe³⁺和Mn²⁺比较相似的释放;而阔叶林则较为复杂。与模拟酸雨的酸度相比,离子的浓度对测定指标起着更重要的作用。对不同演替阶段土壤酸性阳离子的释放动态分析表明,各演替阶段土壤均处于铝氧化物缓冲阶段;同时,演替后期阔叶林土壤还处于铁氧化物和锰氧化物(氢氧化物)缓冲阶段。     

二阶随机占优的经验似然比试验(英)

对非参数试验;;基于两种不同样本经验似然法.研究了两种非负随机变量的二阶随机占优问题;;在经济学中对避免风险而进行经济因素的比较和经济要素的可靠性分析问题有实际的应用价值.     

粘土固化注浆帷幕对重金属离子的渗透实验分析

通过渗透实验研究了粘土固化注浆帷幕浆液配比对抗渗性能的影响,测试了其对重金属离子的抗渗性能,比较了不同重金属离子的迁移速度,并通过对比实验分析了其防腐性能.实验结果表明：粘土固化注浆帷幕的抗渗性能随着固相含量的增加而增强,且粘土对抗渗性能的贡献大于水泥;重金属离子在粘土固化注浆帷幕中迁移时可生成难溶的沉淀物,堵塞帷幕的导水通道,改善帷幕的孔隙结构和孔级配,使帷幕的抗渗性能随渗透历时逐渐增强;不同重金属离子在帷幕中的迁移速度不同,实验条件下的迁移速度Hg^2＋＞Pb^2＋;实验验证了粘土固化注浆帷幕具有较好的防腐性能.     

Neodymium cations Nd3+ were transported to the interior of Euglena gracilis 277

Euglena gracilis 277, a unicellular green alga, demonstrated remarkable ability to transport Nd3+ to the cell compartments. For a given amount of Nd3+ and cells, the results of ICP-AES indicated that the cellular uptake of Nd3+ was independent of Nd3+ concentration in the bulk solution. The average uptake of Nd3+ per cell (mNd) is proportional to a parameter ζ -- the ratio of neodymium content to the cell counts of the system. A novel approach for probing cellular neodymium by tetraiodotetra chlorofluorescein (I4TCF) has been devised. Data derived from the cryosections of I4TCF-Nd3+ stained cells and EDAX of the fast freezing ultrathin cryosections indicate that Nd3+ is distributed over the cell compartments. Chloroplasts are the major compartments as the residence of Nd3+ in the alga. The transport should be against a concentration gradient of Nd3+ on the order of five, even higher. It is proposed that a calcium ion channel would play an important role in the Nd3+ transportation.     

G proteins as drug targets

The structure and function of heterotrimeric G protein subunits is known in considerable detail. Upon stimulation of a heptahelical receptor by the appropriate agonists, the cognate G proteins undergo a cycle of activation and deactivation; the α-subunits and the βγ-dimers interact sequentially with several reaction partners (receptor, guanine nucleotides and effectors as well as regulatory proteins) by exposing appropriate binding sites. For most of these domains, low molecular weight ligands have been identified that either activate or inhibit signal transduction. These ligands include short peptides derived from receptors, G protein subunits and effectors, mastoparan and related insect venoms, modified guanine nucleotides, suramin analogues and amphiphilic cations. Because compounds that act on G proteins may be endowed with new forms of selectivity, we propose that G protein subunits may therefore be considered as potential drug targets. Received 18 September 1998; received after revision 6 November 1998; accepted 11 November 1998