消除红外光谱干涉条纹的简便方法

红外光谱中干涉条纹与样品吸收峰叠加,严重影响光谱定性、定量分析。本文通过将样品偏转一定角度,消除干涉条纹对光谱谱图质量的影响。该方法简单,不需重新制样。并讨论了干涉条纹峰-峰(谷-谷)间距与倾角大小的关系。     

Natural Connectivity of Complex Networks

The concept of natural connectivity is reported as a robustness measure of complex networks. The natural connectivity has a clear physical meaning and a simple mathematical formulation. It is shown that the natural connectivity can be derived mathematically from the graph spectrum as an average eigenvalue and that it changes strictly monotonically with the addition or deletion of edges. By comparing the natural connectivity with other typical robustness measures within a scenario of edge elimination, it is demonstrated that the naturM connectivity has an acute discrimination which agrees with our intuition.     

中药地枫皮及其伪品的FTIR分析与鉴定

运用FTIR技术,采集地枫皮及其伪品植物假地枫皮和大八角的根皮、茎皮和叶片等的红外光谱图,研究地枫皮与其伪品植物不同部位的红外光谱差异。结果显示,3种植物不同部位的红外光谱图均有较大差异,在1628cm~(-1)处地枫皮根皮有特征吸收峰;在1724、1710、1497、1484cm~(-1)等处地枫皮茎皮有明显特征吸收峰;地枫皮叶片3401cm~(-1)和614cm~(-1)两处的吸收峰,在假地枫皮和大八角中分别飘逸到3376,3345cm~(-1)和1627,1625cm~(-1)附近;地枫皮不同部位主要化学成分构成比较相似,但是同类化学成分的含量存在较大差异。所以运用FTIR技术可以快速鉴别出地枫皮与其伪品假地枫皮和大八角,并可以判断3种植物主要化学成分的差异。     

遗传算法在EXAFS谱图解析中的应用

扩展Ｘ射线吸收精细结构（ＥＸＡＦＳ）谱是研究物质原子近邻结构和表面结构的有力工具。ＥＸＡＦＳ谱的解析通常采用标准样品比较法或最小二乘曲线拟合方法。但前者对标样的要求很高，而后者则参数初值难以确定，且结果有时不唯一。本文提出一种ＥＸＡＦＳ曲线拟合的新方法一遗传算法，并对单配位层Ｃｕ样品的ＥＸＡＦＳ谱图进行了解析，取得满意的结果。     

原子吸收光谱仪七种元素吸收谱图的研究

原子吸收光谱分析法具有许多优越性，但其线性范围较窄。各元素的线性浓度范围，国内外仪器厂及有关专著均未给出，这给我们的分析工作带来诸多不利。为此，作者对7种元素的原子吸收谱图进行了分析研究，分别找出了7种元素在4种仪器工作条件下的浓度线性区。对减少样品前处理过程中的盲目性以及提高分析数据的准确性具有重要意义。     

图的剖分点-边冠运算下的规范拉普拉斯谱

A subdivision vertex-edge corona G_1~S?(∪ G_3~E) is a graph that consists of S(G_1),|V(G_1)| copies of G_2 and |I(G_1)| copies of G_3 by joining the i-th vertex in V(G_1) to each vertex in the i-th copy of G_2 and i-th vertex of I(G_1) to each vertex in the i-th copy of G_3.In this paper, we determine the normalized Laplacian spectrum of G_1~S?(G_2~V∪ G_3~E) in terms of the corresponding normalized Laplacian spectra of three connected regular graphs G_1, G_2 and G_3. As applications, we construct some non-regular normalized Laplacian cospectral graphs. In addition, we also give the multiplicative degree-Kirchhoff index, the Kemeny's constant and the number of the spanning trees of G_1~S?(G_2~V∪ G_3~E) on three regular graphs.     

2013年“气质联用(GC-MS)应用技术培训班”即将举办

信立方质谱培训中心与仪器行业最大的门户网站仪器信息网合作将于2013年8月14-16日举办"气质联用(GC-MS)应用技术培训班"。信立方质谱培训中心致力于质谱应用技术培训工作,旨在提高分     

TD-DFT Calculation on the UV-Vis Spectra of Complex 8-（（Trimethoxysilyl）methylthio）quinoline-SnCl4

Electronic structures and absorption spectra properties of complex 8-（（trimethoxysilyl）methylthio）quinoline.SnCh in gas phase and MeCN media have been investigated by using DFT/TD-DFT method. The calculated lowest-energy absorption band shows different mechanisms under these two conditions, and it bears LMCT/LLCT/ILCT character in MeCN solution and LLCT/ILCT character in gas phase. The calculated absorption bands of the title complex in MeCN solvent are in good agreement with the experimental results, and calculation results indicate that the very weak experimentally observed lowest-energy absorption band of the title complex in MeCN solvent originates from the spin-forbidden singlet-triplet transitions.     

语谱图共振峰的自动跟踪算法

本文介绍一个共振峰轨迹的自动跟踪算法，其特点是不借助于其它的信息来源，仅仅是基于语谱图信息，来确定语谱图上前四个共振峰频率的位置和它们关于时间轴的轨迹。算法由三个层面构成；第一层面是进行频率分布的分析，以决定一个最佳的共振峰搜索起始位置；第二层面是采用双搜索算法，来跟踪随时间变化的共振峰轨迹；第三层面是解决某些冲突现象，在共振峰跟踪问题上的难点之一是处理多个共振峰的合并现象和冗余峰值现象。     

氘代试剂极性对2,2''-联吡啶-4,4''-二甲酸乙酯1H-NMR谱图的影响

由于溶剂极性的影响，2，2'-联吡啶-4，4'-二甲酸乙酯在DMSO-d6（氘代二甲基亚砜）和CDCl3（氘代三氯甲烷）中测得的^1H-NMR谱图具有很大的差异。