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51.
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A resonance light scattering (RLS) imaging method was proposed based on imaging and measuring the RLS features of single suprahelical species of DNA, and its appfication to DNA assay was also investigated. In acidic medium, porphine-5,10,15,20-tetrakis(p-phenyltlimethylaminium) (PTPTMA), could stack along the molecular surface of DNA with the mode of long-range assembly to induce the formation of suprahelical species of DNA, resulting in strong RLS signals in the range of 450-510 nm. Under the excitation of 488 nm fight beam of argon ion laser source, single suprahelical species could be observed with the aid of a common microscope due to the strong scattered fight emitted by the suprahelical species. By capturing the RLS images of the single suprahelical species with a cooled charge coupled device (CCD) camera, and analyzing the RLS data, herein an RLS imaging method of DNA was proposed based on the linear relationship between the counts of suprahelical species in the detection focus plane and the concentration of DNA in nanograms. When 1.8 μmol/L PTPTMA was employed, both calf thymus DNA (ct DNA) and fish sperm DNA (fs DNA) in the range of 25-1100 ng/mL could be detected with the limits of detection lower than 25 ng/mL (3a). Four synthetic samples were detected satisfactorily with relative standard deviations less than 5.1%. 相似文献
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A general method in considering the core electronic correlation energies has been proposed and introduced into the standard Gaussian-2 (G2)[7] theory by small post-Hartree-Fock calculations. In this paper an additional MP2(FC)/6-31G(d) calculation over the G2 procedures is employed and examined in modification in modification to the flaw of Frozen-Core (FC) approximation of G2 vai eq.:
ΔE(full)= E[MP2(full)/6-31G(d)]-E[MP2(FC)/6-31G(d)]
where the MP2(full)/6-31G(d) energy has been obtained in the molecular geometry optimizations. This energy, ΔE(full), is directly added into the total G2 energy of a molecule in facilitating the effect of core electronic correlations for each molecule in chemical reactions. It has been shown that the over-all average absolute deviation for the 125 reaction energies of the G2 test set (test set 1) is slightly reduced from 5.09 to 5.01 kJ, mol(-1) while for the 55 D0 values, which have been used for the derivation of the A coefficient of the empirical High-Level...更多-Correction (HLC), it is also reduced from 4.99 [for both G2 and G2(COMPLETE)[8]]to 4.77 kJ• mol(-1). In addition, larger errors (greater than ±8.4 kJ•mol(-1) for the D0 energies are improved, especially for the largest error of the D0 of SO2 This error is reduced from 21.3 to 15.4 kJ. mol(-1), in which the experimental geometry would further reduce it by 7.1kJ.mol(-1)[8]. Another improvement is the absolute value of the A coefficient in HLC being reduced from 4.81 for G2 to 4.34 milli-hartrees which is believed to be useful in isolating the relationship between the HLC and the FC approximation. Modifications to the original G2 from this work is denoted as G2(fu 1) and thus the G2 (fu 1) total energy for a molecule is
E[G2(fu 1)]= E[G2]+Δ E(full)h
with a new ΔE[HLC] =-0.19α- 4.34nβ milli-hartree. 相似文献
ΔE(full)= E[MP2(full)/6-31G(d)]-E[MP2(FC)/6-31G(d)]
where the MP2(full)/6-31G(d) energy has been obtained in the molecular geometry optimizations. This energy, ΔE(full), is directly added into the total G2 energy of a molecule in facilitating the effect of core electronic correlations for each molecule in chemical reactions. It has been shown that the over-all average absolute deviation for the 125 reaction energies of the G2 test set (test set 1) is slightly reduced from 5.09 to 5.01 kJ, mol(-1) while for the 55 D0 values, which have been used for the derivation of the A coefficient of the empirical High-Level...更多-Correction (HLC), it is also reduced from 4.99 [for both G2 and G2(COMPLETE)[8]]to 4.77 kJ• mol(-1). In addition, larger errors (greater than ±8.4 kJ•mol(-1) for the D0 energies are improved, especially for the largest error of the D0 of SO2 This error is reduced from 21.3 to 15.4 kJ. mol(-1), in which the experimental geometry would further reduce it by 7.1kJ.mol(-1)[8]. Another improvement is the absolute value of the A coefficient in HLC being reduced from 4.81 for G2 to 4.34 milli-hartrees which is believed to be useful in isolating the relationship between the HLC and the FC approximation. Modifications to the original G2 from this work is denoted as G2(fu 1) and thus the G2 (fu 1) total energy for a molecule is
E[G2(fu 1)]= E[G2]+Δ E(full)h
with a new ΔE[HLC] =-0.19α- 4.34nβ milli-hartree. 相似文献
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聚甲基丙烯酸甲酯/聚醋酸乙烯酯共混相分离过程的标度行为与逾渗结构 总被引:2,自引:0,他引:2
本文用激光光散射和光学显微镜方法研究了聚甲基丙烯酸甲酯/聚醋酸乙烯酯共混体系不稳相分离过程最大散射强度I_m(t,T)和相应波矢q_m(t,T)随时间变化规律及相区的逾渗结构.实验结果表明:I_m(T,t)和q_m(t,T)与时间t满足简单的标度关系I_m(t,T)~t~β,q_m(t,T)~t~(-α),且标度关系β=3α成立.揭示了相态结构的分维特征.给出了计算相态结构分维数的简便方法,其分维数D值约为1.64±0.03.与逾渗模型给出的D值接近. 相似文献
57.
锂离子电池正极材料LiMn2O4的低热固相合成与性能表征 总被引:6,自引:0,他引:6
锂离子电池具有比能量高、环境污染小等优点,广泛应用于手提电话、便携式电脑、摄像机等设备中。其正极材料的研究是锂离子电池的研究重点。层状结构的LiCoO2、LiNiO2和尖晶石结构的LiMn2O4是仅有的三种能在3.5V以上电位可嵌入Li的正极材料[1~3]。目前市售的锂离子电池主要采用LiCoO2作正极材料,但由于Co资源缺乏和价格相对昂贵,而锰资源丰富,价格低廉且无毒,对环境友好,因此世界各国都在大力进行以LiMn2O4为正极材料的锂离子电池的实用化研究。LiMn2O4传统的制备方法是高温固相反应合成法[4~7],但由于Mn的变价多,与Li形成贫Li或… 相似文献
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59.
基于自适应Gabor小波包的超声心动图像纹理特征提取 总被引:1,自引:0,他引:1
在基于纹理的医学图像检索中,由于提取的图像特征向量过长,大大影响检索速度.为此,提出一种基于Gabor小波包的自适应纹理提取方法:以信号能量集中度作为自适应选取小波包的优化参数,建立反映图像内容的纹理特征向量以及空间信息结构码.这种方法有效降低了纹理特征向量的维数,显著提高了图像分析的效率.在基于内容的图像检索实验中,以两类典型的超声心动图像为研究对象,结果表明该方法能够达到95.1%的平均识别率. 相似文献
60.
福州温泉区蕴藏着丰富的地下热水,然而长时间的过量开采,已造成地热水位下降,热水资源逐渐枯竭.针对这一状况,在对福州市温泉区复杂的地质概况及水文地质条件进行概化的基础上,对热田区热水动态进行三维有限元数值模拟,对其允许开采量进行了现状评估与预测分析 相似文献