Conformational changes of Na,K-ATPase probed with eosin Y

Time-resolved fluorescence and binding studies have been carried out on Na,K-ATPase in the presence of the fluorescent dye eosin Y to obtain thermodynamic and kinetic parameters for the interaction of the enzyme with different cations. Eosin Y binding is indicated by a 3 ns fluorescence decay process and is observed only in the presence of mono- and divalent cations. This type of cation binding is interpreted as a nonselective electrostatic interaction, with negatively charged groups of the enzyme providing a high-affinity eosin Y binding site. Eosin Y binding is observed only under conditions where the enzyme exists in the conformational state F₁. The kinetic parameters of eosin Y binding have been determined employing stopped-flow fluorometry.     

Characterizing Protein Conformational Transitions of Na,K-ATPase with Antibodies by Fluorescence Spectroscopy

Stationary and time-resolved fluorescence of FITC–Na,K-ATPase is investigated as a function of pH in the presence of different ligands, cations, and the monoclonal anti-FITC antibody 4-4-20. The binding of K⁺ and of the antibody leads to the same decreased fluorescence intensity level. Antibody binding is observed only under conditions where the enzyme exists in the conformational state F₁, and not in the form of the Na⁺ or K⁺ complex or when it is phosphorylated with inorganic phosphate in the presence of Mg²⁺. For the interpretation of the results it is shown that the fluorophore is not essentially affected by an acidity change of the bound dye, so that pK variations responsible for the observed intensity changes can be excluded in favor of a static quenching process     

The glow curve structure for the LiF:Mg,Cu,Na,Si TL detector with dopants concentrations and sintering temperatures

The glow curve structures for LiF:Mg,Cu,Na,Si TL detectors with various dopant concentrations and sintering temperatures were investigated for the improvement of the glow curve structure and sensitivity of the TL detector. The dopant concentrations were varied over the following ranges: Mg (0–0.25 mol%), Cu (0–0.07 mol%), Na and Si (0–1.5 mol%). With increasing Cu concentration, the intensity of the main peak was intensified and reached a maximum at a concentration of 0.05 mol%. The high-temperature peak was reduced. The dependency of the main peak intensity on the Mg concentration exhibits a sharp maximum at 0.2 mol%. The intensity of the high-temperature peak tends to rise slightly with increasing Mg concentration. It was found that the optimum concentrations of the dopants in the LiF:Mg,Cu,Na,Si TL material are Mg: 0.2 mol%, Cu: 0.05 mol%, Na and Si: 0.9 mol%. The dependency of the main peak intensity on sintering temperature exhibits a very sharp maximum at 830°C. The high-temperature peak was rapidly reduced after 825°C.     

Numerical simulation of the response function in measurements by the frequency-domain method in optic-fiber sensors

We consider a method for measuring the temperature and deformation from a distributed source by means of optic-fiber sensors with the use of Brillouin scattering in combination with analysis of the frequency domain. The method is investigated theoretically. It is based on measurements of the complex transfer function. We carry out a numerical simulation of the response function for a single-mode optic fiber with elevated-temperature regions and deformed regions. To whom correspondence should be addressed. Reported at the Second International Scientific and Technical Conference on Quantum Electronics, Minsk, November 23–25, 1998. Belarusian State University, 4, F. Skorina Ave., Minsk, 220050, Belarus. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 66, No. 5, pp. 718–721, September–October, 1999.     

Determination of the (Na+) Sternheimer antishielding factor by 23Na NMR spectroscopy on sodium oxide chloride, Na3OCl

The (Na⁺) Sternheimer antishielding factor γ_∞ (Na⁺) was determined by ²³Na NMR spectroscopy on sodium oxide chloride, Na₃OCl. The quadrupolar coupling constant of the sodium ion in Na₃OCl was determined to QCC=11.34 MHz, which presents the largest coupling constant of a sodium nucleus observed so far. Applying a simple point charge model, the largest principal value of the electric field gradient at the sodium site was calculated to V_zz=−6.76762·10²⁰ V/m². From these values we calculated the (Na⁺) Sternheimer antishielding factor to γ_∞ (Na⁺)=−5.36. In sodium oxide, Na₂O, we observed an isotropic chemical shift of δ_CS=55.1 ppm, referenced to 1 M aqueous NaCl (δ=0 ppm).     

Dosimetric properties of the newly developed KLT-300 (LiF:Mg,Cu,Na,Si) TL detector

The dosimetric properties of the newly developed KLT-300 (KAERI LiF:Mg,Cu,Na,Si TL detector) in KAERI (Korea Atomic Energy Research Institute) were investigated. The sensitivity of the TL detector was about 30 times higher than that of the TLD-100 by light integration. In the study of the dose linearity of the detector, the dose response was very linear up to 10 Gy and a sublinear response was observed at higher doses. The energy response of the detector was studied for photon energies from 20 to 662 keV. The results show that a maximum response of 1.004 at 53 keV and a minimum response of 0.825 at 20 keV were observed. The reproducibility study for the TL detector was also carried out. The coefficients of variation for each detector separately did not exceed 0.016, and for all the 10 detectors collectively it was 0.0054. IEC Standard requires that the coefficient of variation shall not exceed 0.075. So, the reproducibility of this new TL detector sufficiently satisfied the IEC requirements. A detection threshold of the detector was investigated and found to be 70 nGy by Harshaw 4500 TLD Reader.     

Na+替位掺杂对Li2MnSiO4的电子结构以及Li+迁移过程的影响

在锂二次电池中, 硅酸锰锂作为正极材料得到广泛研究, 但其固有的电子和离子电导率较低, 直接影响着电池的功率密度和充放电速率. 本文建立了不同浓度的Na⁺离子替位掺杂Li⁺离子形成的Li_1-xNa_xMnSiO₄(x=0, 0.125, 0.25, 0.5)结构, 采用第一性原理的方法, 研究了掺杂前后硅酸锰锂的电子结构以及Li⁺离子的跃迁势垒. 发现在Li⁺位替代掺杂Na⁺, 导带底的能级向低能方向发生移动, 降低了Li₂MnSiO₄ 材料的禁带宽度, 有利于提升材料的电子导电性能. 随着掺杂浓度的升高, 禁带宽度逐渐变窄. CI-NEB结果表明, 在Li₂MnSiO₄体系中具有两条有效的Li⁺离子迁移通道, 掺杂Na⁺以后扩大了Li⁺ 离子在[100]晶向上的迁移通道, Li⁺离子的跃迁势垒由0.64 eV降低为0.48, 0.52和0.55 eV. 掺杂浓度为 x=0.125时, 离子迁移效果最佳. 研究表明Na⁺掺杂有利于提高Li₂MnSiO₄材料的离子和电子电导率.     

Potential-dependent structure of the interfacial water on the gold electrode

Doubly tunable sum frequency generation (SFG) spectra demonstrate that the water molecules at gold/electrolyte interface change their orientation with applied potential. At negative potentials, water molecules in the double layer align with their oxygen atom pointing to the solution. As potential became positive to be close to the potential of zero charge (PZC), the SFG signal decreased, suggesting the OH groups of the water molecule are either in random orientation or parallel to the electrode. As potential became more positive than the PZC, the SFG signal increased again with the oxygen-up orientation as same as in the negative potential region, indicating that water molecules interact with the adsorbed sulfate anions. The peak position of the SFG spectra indicates a relatively disordered state of water molecules at the gold electrode surface, in contrast to the previously observed ice-like structure of water at electrolyte/oxide interfaces.     

低频用周期性结构管道的研究

在扬声器单元的一侧耦合管道是解决声短路,实现低频下潜的有效方法。本文研究了一种周期性结构管道,对其低频辐射特性进行理论分析,提出了使用周期性结构管道代替传统均匀管道以缩短长度。在实际的扬声器单元上分别耦合传统的均匀管道和周期性结构管道,实验结果与理论计算基本吻合。结果表明,为实现相同的低频下潜,合理的周期性结构可以有效地缩短管道长度,从而具有更高的实用价值。     

A sensitivity function-based conjugate gradient method for optical tomography with the frequency-domain equation of radiative transfer

The Sensitivity Function-based Conjugate Gradient Method (SFCGM) is described. This method is used to solve the inverse problems of function estimation, such as the local maps of absorption and scattering coefficients, as applied to optical tomography for biomedical imaging. A highly scattering, absorbing, non-reflecting, non-emitting medium is considered here and simultaneous reconstructions of absorption and scattering coefficients inside the test medium are achieved with the proposed optimization technique, by using the exit intensity measured at boundary surfaces. The forward problem is solved with a discrete-ordinates finite-difference method on the framework of the frequency-domain full equation of radiative transfer. The modulation frequency is set to 600 MHz and the frequency data, obtained with the source modulation, is used as the input data. The inversion results demonstrate that the SFCGM can retrieve simultaneously the spatial distributions of optical properties inside the medium within a reasonable accuracy, by significantly reducing a cross-talk between inter-parameters. It is also observed that the closer-to-detector objects are better retrieved.     

The structure of Na adsorbed on Ge(1 0 0) and its influence on substrate morphology

We investigated the adsorption of sodium on the (1 0 0) surface of germanium with LEED, STM and electron spectroscopy (XPS). Upon adsorption at room temperature a metastable p(4 × 1) and a p(2 × 1) superstructure have been found. Annealing of these structures, accompanied by thermal desorption, results in the formation of a commensurate p(3 × 2) phase after an incommensurate state has been passed. The formation of structures observed after annealing requires the rearrangement of substrate atoms. In addition strong evidence was found that all ordered phases discussed in this paper contain one adsorbate atom per unit mesh.     

ICP-AES法直接测定地热温泉水样中的钾、钠、钙、镁、硅、锂、硼的研究

采用顺序扫描式ＩＣＰ光谱仪,直接测定了地热温泉水样中的７种元素,并对最佳测试条件的选择进行了探讨,方法简便,快速、准确,检出限及精密度均可满足分析要求。     

五氯苯酚分子在激发和电离过程中分子结构和简谐振动的变化研究

利用密度泛函理论(DFT)计算得到了五氯苯酚(PCP)分子在基态(S₀态)、第一电子激发态(S₁态)和离子基态(D₀态)优化的结构参数和简谐振动频率值.通过分析PCP分子在激发和电离过程中的苯环与取代基OH和Cl之间的键长和键角的变化情况,可以看到取代基OH和Cl的给电子和吸电子效应使苯环的结构发生了变化,尤其是靠近Cl原子处的变化较明显.通过分析每个简谐振动模式对应的振动频率值在激发和电离过程中的变化情况,可以看到PCP分子在S₀态和D₀态的同一振动模式对应的振动频率值接近,在S₁←S₀跃迁中,PCP分子中约二分之一的平面内弯曲和平面内伸缩振动受到的影响较大,而平面外弯曲振动受到的影响较小.     

(XB2)2(X=Al, Be, Na, Mg)团簇的密度泛函研究

用密度泛函理论(DFT)的杂化密度泛函B3LYP方法在6-31G*基组水平上对(XB2)2(X=Al,Be,Na,Mg)团簇各种可能的构型进行几何结构优化,预测了各团簇的最稳定结构.并对最稳定结构的电子结构、振动特性、成键特性和电荷特性等进行了理论研究.结果表明,团簇的几何结构大多是平面结构,通常是B-B键和B-X键共存,较少出现X-X键.团簇的稳定结构中通常是几个呈负电性的B原子形成一个负电中心,而其他B原子和X原子处在端位,且显正电性.     

Mg,Al掺杂对LiCoO2体系电子结构影响的第一原理研究

为了研究Mg, Al掺杂对锂二次电池正极材料LiCoO₂体系的电子结构的影响，进而揭示Mg掺杂的LiCoO₂具有高电导率的机理，对Li(Co, Al)O₂和Li(Co, Mg)O₂进行了基于密度泛函理论的第一原理研究. 通过对能带及态密度的分析，发现在Mg掺杂后价带出现电子态空穴，提高了电导，并且通过歧化效应（disproportionation）改变了Co-3d电子在各能级的分布，而Al掺杂则没有这些作用. O关键词： 2')" href="#">LiCoO₂ 电子结构 第一原理 电导     

磁场中碳纳米管电子结构的紧束缚法研究

利用石墨平面碳原子轨道作sp2杂化时π电子的紧束缚模型,对磁场中直状单层碳纳米管(SWNTs)的电子结构进行理论推导和分析。磁场对碳纳米管的波矢产生影响,从而使碳纳米管的电子结构及能隙均以磁通量子Φ0(=h/e)为周期随磁通量Φ周期性变化。     

N^＋（N=Li,Na,K）对发光材料M3（M=Ca,Sr,Ba）Y2（BO3）4：Eu^3＋光谱的影响

采用高温固相反应方法在空气中制备了M3(M=Ca,Sr,Ba)Y2(BO3)4∶Eu3 红色发光材料,测量结果显示,材料的主发射峰均位于613 nm处,监测613 nm发射峰时,所得材料的激发光谱相同。研究了Li ,Na 和K 对M3(M=Ca,Sr,Ba)Y2(BO3)4∶Eu3 材料激发与发射光谱的影响,结果显示,加入Li ,Na 和K 后,M3(M=Ca,Sr,Ba)Y2(BO3)4∶Eu3 材料的激发与发射光谱的峰值位置并不发生变化,但材料的激发与发射光谱的峰值强度均得到了不同程度的增强。在Li ,Na 和K 掺入浓度相同的条件下,研究发现,与加入Na 和K 时相比,加入Li 时,M3(M=Ca,Sr,Ba)Y2(BO3)4∶Eu3 材料的激发与发射光谱的峰值增强效果最明显。进而研究了Sr3Y2(BO3)4∶Eu3 材料发射峰强度随Li 掺杂浓度的变化情况,结果表明,随着Li 掺杂浓度的增大,Sr3Y2(BO3)4∶Eu3 材料发射峰强度先增大后减小,在Li 浓度为5 mol%时到达峰值,约为未掺杂时的两倍。     

微穿孔板复合对二次余数扩散结构扩散性能影响研究

扩散吸声结构(Diffsorber)能应用于室内外声品质的改善,具有很好的研究意义和应用前景。微穿孔复合QRD结构能显著提高低频吸声性能,但复合对扩散性能的影响未见报道。本论文对QRD结构及其与厚度为0.6mm,穿孔率为1%,2%,3%的微穿孔板复合结构的扩散性能进行测试,得出了相应的反射声能极坐标图和扩散系数。研究结果表明,微穿孔复合QRD结构在中低频特别在结构自身共振频率范围内具有良好的扩散性能,扩散系数在0.8到0.95之间,随着频率增加,复合结构的扩散性能有下降的趋势,同时由于微穿孔板的吸声性能,复合后结构的空间反射声能普遍降低5dB左右。     

The fractal structure in the Rydberg lithium atoms in ionization dynamics of a static electric field

The ionization rate of Rydberg lithium atoms in a static electric field is examined within semiclassical theory which involves scattering effects off the core. By semiclassical analysis, this ionization process can be considered as the promoted valence electrons escaping through the Stark saddle point into the ionization channels. The resulting escape spectrum of the ejected electrons demonstrates a remarkable irregular electron pulse train in time-dependence and a complicated nesting structure with respect to the initial launching angles. Based on the Poincaré} map and homoclinic tangle approach, the chaotic behaviour along with its corresponding fractal self-similar structure of the ionization spectra are analysed in detail. Our work is significant for understanding the quantum-classical correspondence.     

浅海矢量声场干涉结构形成机理及试验研究

浅海低频声场的微观结构特征在于具有可用波导不变量表征的 稳定空间-频率干涉结构.声场兼具标量场和矢量场, 波导条件下二者联合决定声场的全部特性. 本文研究浅海声场空频干涉结构的矢量场特征. 理论分析了声压谱、动能密度谱、声强流谱等矢量场干涉结构的形成机理, 探讨了矢量场干涉结构的波导不变量表征, 数值仿真研究了Pekeris波导中能量和能流密度的干涉特性, 进行了宽带声源辐射矢量声场干涉特性及表征的海上试验.实测结果与理论、仿真分析有较好的一致性. 研究结果表明: 中近程和中远程声场均能模态相干, 有稳定的空频干涉结构, 并且矢量声场空频干涉结构存在多种形式, 除各种能量和能流密度谱图外, 相干系数谱也呈现干涉特征, 这些形式的空频干涉结构均可用波导不变量理论有效表征. 关键词： 矢量声场 干涉结构 波导不变量 浅海低频声场