气相色谱-质谱中定量分析技术的应用

本文对气相色谱－质谱（GC－MS）定量分析技术及其在我国的应用进行了综述，较详细地阐述子峰匹配、质量色谱和选择离子检测3种定量分析与应用，共引用文献39篇。     

高凝固点原油与一般原油300℃以前组分的碳数分布特性比较

用气相色谱和色－质联用以对高凝固点（约42℃）原油及一般原油300℃以前组分的碳数分布情况作了分析和比较，并使用氧化铝多孔层空心毛细管柱分离了原油中石油气的低碳数组分，效果良好。     

质谱法测定多糖结构的机理研究

用气相色谱－质谱法对多糖的结构进行了测定，并着重对质谱法测定多糖结构的机理进行了研究。     

LC－GC／FTIR联用方法的研究

建立了一种ＬＣ－ＧＣ／ＦＴＩＲ联用方法。由于在联用系统中采用了峰容量大、分离效率高的ＬＣ－ＧＣ二维色谱技术，本法可明显提高ＧＣ／ＦＴＩＲ对复杂有机混合物中微量组分的检测能力。实验证明ＬＣ－ＧＣ／ＦＴＩＲ联用方法是复杂有机混合物分析的又一有效手段。     

巴豆种子油的GC-MS分析

巴豆种子经石油醚或无水乙醇提取得巴豆种子油，通过气相色谱－质谱联用仪（GC－MS）测定其中的化学夸分，结果显示，巴豆种子油中含有26个组分，本文确定了其中22个组分的结构。     

微波等离子体化学气相沉积法制备C3N4薄膜的结构研究

采用微波等离子体化学气相沉积法,用高纯氮气（99．999％）和甲烷（99．9％）作反应气体,在单晶Si(100)基片上沉积C3N4薄膜,利用扫描电子显微镜观察薄膜形貌,表明薄膜由密排的六棱晶棒组成,X射线衍射和透射电子显微镜结构分析说明该薄膜主要由β－C3N4和α－C3N4组成,并且这些结果与a-C3N4相符合较好,由虎克定律近似关系式计算了α－和β－C3N4的傅里叶变换红外光谱和Raman光谱,实验结果支持C－N共价键的存在。     

2,2-二甲基丁酸的质谱鉴定

采用所相色谱－质谱联用法（ＧＣ－ＭＳ）首次分离鉴定了新合成的２,２－二甲基丁酸合成液,共分离出６个组分,经质谱裂解机理研究,鉴定出里面确含２,２－二甲基丁酸。并对２,２－二甲基丁酸、２,３－二甲基丁酸３,３－二甲基丁酸等结构异构体质 碎裂机理进行了比较。     

等高线图分析技术在GC／FTIR联用数据处理中的应用

在三种高聚物的裂解大口径毛细管气相色谱－傅里叶变换红外光谱联用分析（ＰｙＷＢＣＧＣ／ＦＴＩＲ）数据获得的基础上，介绍应用等高线图（ＣＴＤ）分析技术处理色谱重叠峰，并在该分析提供的信息指导下进行红外光谱累加及差减技术，获得了重叠峰中各纯物质较好信噪比的气相红外谱图并予以定性，显著了等高线图分析技术在联用数据中的优点，充分发挥了ＧＣ／ＦＴＩＲ联用特有的光谱分离离度优势。     

新显色剂PMNHA的合成、分析鉴定及其在分光光度测定钒中的应用

用1－甲基－2－萘甲酰基替换N－苯甲酰苯基羟胺（BPHA）的苯甲酰基，合成了一种新显色剂N－苯基－1－甲氧基－2－萘甲酰氧肟酸（N-phenyl-1-methoxy-2-naphthoyl hydroxamic acid，缩写为PMNHA）。根据元素分析、差热分析、质谱分析、核磁共振、红外光谱分析，确定PMNHA的组成和结构为 。该试剂的三氯甲烷溶液能很快从2.25-4.50mol/L HCl中萃取钒（V）的紫色配合物，其配合物最大吸收在540nm，很多外来离子，特别是大量的钛不干扰钒的测定，钒含量在0－28μg·g^-1范围遵守比耳定律。我们建立了一个高选择性和简便的用显色剂PMNHA分光光度测定钒的方法。     

气相色谱／石英炉（Ⅲ型）原子吸收光谱联用及烷基铅化学形态分析…

本文较系统地研究了色谱／原子吸收光谱联用的工作条件对测定烷基铅的影响，选择了分析条件，并对烷基铅样品进行了分离测定。分析结果的相对标准差为３．３１－４．１２％，回收率为９４．６－１０４．０％。     

白光和红绿蓝光LED可调光源研制

为了提高LED光源色温和亮度的调节精度和准确度,结合色温由低向高变化时光色所呈现的渐变特点,提出了一种低色温白光LED灯珠、高色温白光LED灯珠加红绿蓝光LED灯珠补偿式调光的方法.将色温分成三个部分进行调节,每个部分选用不同的LED灯珠组合来进行调光.实验结果表明:不同组合情况下的LED光源的初始输出色温相对于目标值的偏差范围在1％以内;亮度可以在保证色温不变的情况下独立进行调节,初始输出值与目标值的偏差范围在1％以内;经过微调之后可以达到目标值;达到了色温和亮度独立调节的要求;光源发光稳定,不会因为长时间工作而影响调节精度.     

Visualization and interferometry for cylindrical and spherical sample tomography and profilometry

A technique combining image processing and laser interferometry for visualizing and detecting the deformation of transparent cylindrical and spherical sample is proposed. This deformation includes geometric deformation such as volume transition in profilometry and physical deformation such as refractive index change in tomography. Phase contour lines are used for quantitative analysis and graphical representation of the deformation. This method allows us to visually detect the spatial variation of the deformation field and to evaluate the test quality such as misalignment of optical system. A theoretical analysis using phase contour map to characterize the deformation field is described in detail. A method using phase contour map to qualify the interferometric test is proposed. Analysis of test examples is carried out. Suggestions on using phase contour line method to ameliorate test system design are finally discussed.     

Quantum and Classical Disparity and Accord

Discrepancies and accords between quantum (QM) and classical mechanics (CM) related to expectation values and periods are generally found for both the harmonic oscillator (SHO) and a free particle in a box (FPB), which may apply generally. These indicate non-locality is expected throughout QM. The FPB energy states violate the Correspondence Principle. Previously unexpected accords are found and proven that 〈x ²〉 _CM =〈x ²〉 _QM and τ _CM =τ _QMb (beat period i.e. beats between the phases for adjoining energy states) for the SHO for all quantum numbers, n. However, for the FPB the beat periods differ at small n. It is shown that a particle’s velocity in an infinite square well varies, no matter how wide the box, nor how far the particle is from the walls. The quantum free particle variances share an indirect commonality with the Aharonov-Bohm and Aharonov-Casher effects in that there is a quantum action in the absence of a force. The concept of an “Expectation Value over a Partial Well Width” is introduced. This paper raises the question as to whether these inconsistencies are undetectable, or can be empirically ascertained. These inherent variances may need to be fixed, or nature is manifestly more non-classical than expected.     

Spectroscopy and Photophysics of Iso- and Alloxazines: Experimental and Theoretical Study

We present a systematic study of the effect of methyl substitution on iso- and alloxazines in acetonitrile solutions. Substitution patterns have profound effects on both spectral and photophysical properties, with fluorescence quantum yields varying by more than an order of magnitude. TD-DFT calculation were used for the first time to correlate electronic structure changes with the substitution patterns, with good agreement between calculated and theoretical band positions and oscillator strengths. Both n-pi* and pi-pi* states in these compounds are predicted, with the oscillator strengths indicating that only the pi-pi* states should be observable in the absorption spectra. Substitution patterns are shown to be responsible for energy order inversion between these states.     

黑克、布劳、及伯曼-温采尔代数的诱导及分导系数和量子经典李代数的耦合与重新耦合系数

本文总结了计算黑克、布劳、及伯曼 温采尔代数在各种工数链下诱导及分导系数的线性方程方法(LEM)。特别强调了关于A,B,C,D型李代数及其量子情形与其中心代数之间的舒尔 魏尔 布劳双关性关系。这一关系使我们能够利用相应中心代数的诱导及分导系数计算出经典李代数及其量子情形的耦合与重新耦合系数。讨论了从该方法得到B,C,D型李代数不可约表示克罗内克积分解的应用。基于LEM还得到了处理对应于置换群CG系列问题的黑克代数张量积的方法。     

国外超导材料技术研究政策和方向

超导材料技术是21世纪具有战略意义的高新技术,极具发展潜力和市场前景。世界各发达国家纷纷制定研发计划,给予高度重视和大力支持,加快超导材料技术的基础研究和产业化发展。主要从美国、日本、欧洲国家、韩国等国家的相关研发计划、政策以及主要科研机构的研发概况出发,阐明目前国外超导材料技术的研究政策和方向。     

Rapid and flexible laser marking and engraving of tilted and curved surfaces

We present a novel method for rapid and flexible laser marking and engraving of tilted, curved and freeform work-piece surfaces. The method is based on integrating a three-dimensional (3D) laser measurement system into a 3D laser marking system. We use the same laser source and optics for measurement and processing with a minimum of additional hardware components. A low power CW laser regime is used to measure the 3D shape of a work-piece surface while a high-peak power-pulsed laser regime is used for processing. The acquired 3D surface data are used to determine the 3D trajectory of the processing beam focus. Neither the 3D shape of the work-piece nor its orientation needs to be known in advance as long as the processed surface lies within the working range of the 3D laser processing system. This eliminates the need for exact work-piece positioning before processing and substantially improves processing flexibility (allowing, e.g. variations in work-piece shape or/and orientation from mark to mark). This paper discusses key issues concerning an implementation of the method and presents typical examples of markings and engravings, which demonstrate the advantages of the method with respect to the existing industrial 2D and 3D laser marking and engraving methods. The method can also be applied to flexible laser structuring and microprocessing of curved surfaces.     

Geometry and Elasticity of Strips and Flowers

We solve several problems that involve imposing metrics on surfaces. The problem of a strip with a linear metric gradient is formulated in terms of a Lagrangian similar to those used for spin systems. We are able to show that the low energy state of long strips is a twisted helical state like a telephone cord. We then extend the techniques used in this solution to two–dimensional sheets with more general metrics. We find evolution equations and show that when they are not singular, a surface is determined by knowledge of its metric, and the shape of the surface along one line. Finally, we provide numerical evidence by minimizing a suitable energy functional that once these evolution equations become singular, either the surface is not differentiable, or else the metric deviates from the target metric.     

Divergence- and Curl-Preserving Prolongation and Restriction Formulas

We present new second-order prolongation and restriction formulas which preserve the divergence and, in some cases, the curl of a discretized vector field. The formulas are suitable for adaptive and hierarchical mesh algorithms with a factor-of-2 linear resolution change. We examine both staggered and collocated discretizations for the vector field on two- and three-dimensional Cartesian grids. The new formulas can be used in combination with numerical schemes that require a divergence-free solution in some discrete sense, such as the constrained transport schemes of computational magnetohydrodynamics. We also obtain divergence-preserving interpolation functions which may be used for streamline or field line tracing.