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991.
胆红素络合物的表面增强拉曼光谱研究 总被引:5,自引:0,他引:5
本文通过对近红外激发傅里叶变换拉曼光谱(NIR-FT-Raman)与表面增强拉曼散射(Surface Enhanced Raman Scattering,SERS)技术的联用,测得胆红素及其络合物Na2BR,CaBR与CuBR在银溶胶中的SERS光谱.结果表明,这一类与胆结石密切相关的生物分子络合物具有不同的配位方式,且在银胶表面采取不同的吸附取向,并从配位化学角度初步解释了黑色结石的黑色成因. 相似文献
992.
993.
采用半经验的Gupta多体势结合遗传算法对ConCu55-n(n=0—55)混合团簇的基态结构和能量进行了研究,发现这些混合团簇的基态结构是在Co55,Cu55单质团簇(Mackay二十面体)的基础之上发生的畸变;从n=0(Cu55)开始,Co原子从中心到表面,从棱到顶点依次、连续替换Cu原子;基态结构与键能较大键的数目及其平均键长有关;Co13Cu42具有最稳定的结构,13个Co原子全部位于团簇内部形成Mackay二十面体对整个团簇的稳定性有显著影响.
关键词:
团簇
结构和能量
Gupta势
遗传算法 相似文献
994.
995.
利用一套CCD显微荧光图像观测和采集分析系统,分别在室 液氮温度下对半径为5μm发射波长0.65μm的InGaP半导体光学微盘的光图像进行了观测。 相似文献
996.
Hui Ma Lulu Xiao Dongchen Xu Yingrui Geng Xuesong Liu Yong Chen Yongjiang Wu 《Molecules (Basel, Switzerland)》2022,27(9)
Quality control methods of current traditional Chinese medicine (TCM) preparation is time-consuming and difficult to assess in terms of overall efficiency of the drug. A non-destructive rapid near-infrared spectroscopy detection system for key chemical components and biological activity of Lanqin oral solution (LOS), one of the best-selling TCM formulations, was established for comprehensive quality evaluation. Near infrared spectral scanning was carried out on 101 batches of commercial LOS under the penetrated vial state and traditional state. RAW 264.7 cells were cultured to detect the anti-inflammatory ability of LOS, and the reference concentrations of epigoitrin, geniposide, and baicalin were obtained by HPLC. The quantitative models were optimized by three kinds of variable selection methods. The correlation coefficients of prediction value of the models were greater than 0.94. The system also passed the external validation. The performance of the non-invasive models was similar to the traditional models. The established non-destructive system can be applied to the rapid quality inspection of LOS to avoid unqualified drugs from entering the market and ensure drug effectiveness. The biological activity index of LOS was introduced and predicted by NIRs for the first time, which provides a new idea about the quality control of TCM formulations. 相似文献
997.
相对于有限脉冲响应(FIR)滤波器,无限脉冲响应(ⅡR)滤波器由于其本身自有的零-极点结构,能以较低的阶数即可与系统模型匹配。因此在有源噪声控制(ANC)中,使用ⅡR滤波器可以大大节省计算量并能提高系统效率。自适应滤波U型最小均方差(FULMS)算法是目前常用的基于ⅡR滤波器的有源噪声控制算法,但该算法却不能保证全局收敛,这大大限制了该算法在有源噪声控制中的应用。本文提出一种新的基于ⅡR滤波器的自适应有源噪声控制算法——滤波E型最小均方差算法,该算法计算量相对于FULMS算法仅略有增加,但具有良好的全局收敛性,仿真结果表明该算法具有良好的降噪效果。 相似文献
998.
Wei Zhou Xiangning Fang Qinglong Qiao Wenchao Jiang Yue Zhang Zhaochao Xu 《中国化学快报》2021,32(2):943-946
With the development of single-molecule detection and super-resolution fluorescence imaging, rhodamine dyes gain new life. Through the modification of the N-substituents and the replacement of the oxygen atom in xanthene, the wavelength and brightness can be effectively changed. However, the spectra of rhodamine, especially due to the balance between ring-closed non-fluorescent lactone and ring-opened fluorescent zwitterion/cation, are sensitive to interference from various environmental factors. In this way, the spectral data of various rhodamines reported by different research groups under different test conditions lacked comparability, sometimes even lacked accuracy. In order to meet the requirements for the accuracy and uniformity of spectral data in the research of single molecule imaging and dye structure-fluorescence relationship study, we have tested the spectra of fifteen rhodamine dyes that cover the visible and near-infrared regions under exactly the same conditions. By studying the dependence of the spectra on dye concentrations, it was confirmed that 1 μmol/L was ideal for detection less from the interference of dye molecule aggregation. We provide comprehensive and reliable spectral data of these fifteen dyes, which are expected to be used as references for future research. And the direct comparison of different rhodamine spectra would help to understand the structure-fluorescence relationship of rhodamines. 相似文献
999.
1000.
A Linear Frequency Principle Model to Understand the Absence of Overfitting in Neural Networks
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Why heavily parameterized neural networks(NNs) do not overfit the data is an important long standing open question. We propose a phenomenological model of the NN training to explain this non-overfitting puzzle. Our linear frequency principle(LFP) model accounts for a key dynamical feature of NNs: they learn low frequencies first, irrespective of microscopic details. Theory based on our LFP model shows that low frequency dominance of target functions is the key condition for the non-overfitting of NNs and is verified by experiments. Furthermore,through an ideal two-layer NN, we unravel how detailed microscopic NN training dynamics statistically gives rise to an LFP model with quantitative prediction power. 相似文献