色谱及其联用技术在中药指纹图谱研究中的应用进展

中药指纹图谱技术已成为中药质控研究的国际趋势。本文综述了近几年来色谱技术及其联用技术在中药指纹图谱研究中的应用进展。     

浙大指纹图谱相似度软件在香料分析中的应用

为了对香精香料进行有效的化学质量控制，现采用中药化学质量控制常用的方法，色谱指纹图谱法。对香精香料进行适当的前处理，同时蒸馏萃取，然后进行气相色谱氢焰测试。再用浙大中药指纹图谱相似度计算软件进行谱峰匹配、相似度的计算等其它数据处理。运用此方法能对香精香料进行快速有效的综合化学质量控制。系统地介绍了浙大中药指纹图谱相似度计算软件五个基本功能1数据导人2数据预处理和色谱图的缩放比较3保留时间校正和谱峰自动匹配4指纹图谱相似度计算5结果输出和报表打印。浙大中药指纹图谱相似度计算软件为一种简便易学的软件系统，就其操作中的关键问题给予图文结合的方式加以详细说明。通过香精色谱分析的例子对峰点的校正匹配与整体相似度计算等其它功能作进行了详细讲解。     

国内中药注射剂标准化的文献研究现状及问题

对中药注射剂有关研究文献,导入文献题录信息统计分析工具和知识可视化软件进行研究,形成可视化图谱,分析研究发展程度及趋势,发现中药注射剂标准化有关研究集中在三大领域,分别是质量标准研究、指纹图谱研究和不良反应研究,本文汇总中药注射剂标准化的存在的问题,并提出解决的建议。     

基于雷达图特征提取和近红外光谱技术的葛根粉鉴别方法研究

基于雷达图表示原理,对葛根粉的近红外光谱进行了鉴别研究。首先,利用近红外光谱技术获得了中药葛根粉在12000cm~(-1)~4000cm~(-1)范围内的近红外漫反射光谱作为指纹图谱,然后采用多层雷达图对指纹图谱逐步进行特征提取,最后用优选图特征进行分类研究。该方法在保证数据整体性的前提下,有很好的直观可视性,最小识别误差率达1.04%。研究结果表明该方法既是一种可行的葛根粉鉴别新方法,同时又可作为可视化中药指纹图谱模式分析新方法 。     

基于体外抑菌作用的金莲花系列制剂谱-效关系研究

通过体外抑菌活性检测结合化学指纹图谱分析,对金莲花系列制剂4种剂型进行再评价。以药用生药量为指标,采用试管二倍稀释法测定金莲花系列制剂的最小抑菌生药量;采用高效液相色谱法建立金莲花系列制剂的指纹图谱;通过"中药色谱指纹图谱相似度评价系统(药典委员会2004A版)"对金莲花4种指纹图谱进行相似度分析;基于"Statistical Product and Service Solutions"软件,对抑菌活性值和色谱指纹图谱数据进行相关性分析,简述指纹图谱特征峰与抑菌作用的相关性。金莲花4种制剂指纹图谱相似度良好。金莲花口服液抑菌生药量最小,各成分相对峰面积与抑菌生药量相关性良好,峰1、3、4、5、6、7、8、9、11、12与生药量负相关,峰2、13与生药量正相关。其中峰1、7、8、9、11对金黄色葡萄球菌抑菌生药量相关性与其他峰相比有显著性差异(P0.05),峰3(P0.05)、12(P0.01)对大肠杆菌的抑菌生药量相关性有显著差异。结果表明金莲花口服液剂型质量较优,运用谱-效相关性分析能较好地对剂型进行再评价。     

指纹图谱相似度新算法的研究

为了减小夹角余弦法或相关系数法在色谱指纹图谱分析中的误差,提出了峰面积权值非均一性进行相似度计算的新方法.夹角余弦法或相关系数法在色谱指纹图谱分析中存在-定的局限性,通过一个实例及折线图可以看出此二方法与现实情况不相符,另则此二方法对浓度的变化不敏感,对计算结果带来较大的误差.夹角余弦法、相关系数法与数据线性比例没有关系,化学成分比例不变,但其总量变化,则此二者难以体现这种变化;新的算法够体现这种化学成分比例的变化,新方法适合于与总量有关的中药与香精香料的质量分析.     

基于P&T-GC/MS指纹图谱评价丝束加香滤棒质量的稳定性

目的 形成丝束加香滤棒质量稳定性的评价体系。方法 实验采用吹扫捕集-气相色谱-质谱技术（Purge&Trap-Gas Chromatography-Mass Spectrometry,P&T-GC-MS）结合“中药色谱指纹图谱相似度评价系统”对丝束加香滤棒中特征香味成分进行分析,以建立P&T-GC-MS指纹图谱,并利用欧氏距离法计算其相似度,以及聚类分析法评价不同批次间样品的差异性。结果 相同浓度、不同批次丝束加香滤棒的相似度均高于0.920,表明批次间、批次内样品的质量稳定性较好;各特征香味成分峰面积、保留时间的RSD值均小于1.70%,表明该方法具有良好的精密度、稳定性和重现性;所建的丝束加香滤棒标准指纹图谱与聚类分析结果一致,可将不同浓度的丝束加香滤棒进行有效甄别。结论 该方法可为评价丝束加香滤棒的质量稳定性提供参考依据。     

抗肿瘤中药出台国际标准

随着中药在国际医药界地位的日益提高，中药产品的质量也受到越来越多铁重观。针对这一现状，近年来，国家中药重点工程实验室的科学家们研发出国际上最先进的、符合国际标准的、针对复方中药质量和疗效验证的“指纹图谱”技术，对中药从品种墙育、生产加工、制备及临床全过程进行实时监控，大大提高了中药质量的稳定性和疗效的可靠性。[第一段]     

色谱指纹图谱对香精香料质量控制的研究

烟用香精香料化学成分复杂，现无合适的化学质量控制方法，本文提出色谱指纹图谱这一概念，就其属性特征给予了阐释，指明了色谱指纹图谱质量控制的一般步骤，用一简例说明了指纹图谱的应用，研究结果表明指纹图谱是一种有效的香精香料质量控制模式。     

A0模态兰姆波触控屏声指纹库质量评价方法

影响A₀模态兰姆波触控屏性能的核心要素是声指纹库质量,基于曼哈顿距离统计和分析方法研究了声指纹库的质量评价及优化问题。首先,采用有限元方法仿真建立了900种激励-接收节点布局方案对应的触控介质声指纹库;其次,提出了曼哈顿距离图谱及其频次分布图谱的构建方法,利用图谱特征(最小非零频次和峰值分布区间的左临界点)和频次直方图的加权量化指标,对声指纹库质量进行评价,并对激励-接收节点布局方案进行了优选;最后,分析了激励信号对声指纹库质量的影响,相比窄带猝发(Tone burst)信号激励形式,宽频带的线性调频(Chirp)信号激励条件下获得的声指纹库质量明显更优。该研究为超声兰姆波触控屏声指纹库质量的优化提供了基础方法借鉴。     

Fingerprint imaging across EM spectrum

Abstract

Fingerprint development techniques have been in use for over 100 years, the purpose being to enhance the contrast between fingerprint and background to aid visualisation. In some cases this is achieved by the production of coloured reaction products, in other situations the developed fingerprints may be detected by fluorescence. To date, these processes have almost exclusively utilised the visible region of the electromagnetic spectrum. Advances in sensor technology mean that it is now possible to easily image fingerprints in other regions of the electromagnetic spectrum and this may provide benefits to forensic scientists. This paper presents a review of fingerprint imaging techniques in the infra-red, visible, ultra-violet and x-ray regions and outlines potential advantages over conventional development and imaging practice.     

近红外光谱法鉴别Tencel等四种纤维

本文以Tencel、棉、粘胶、铜氨的近红外指纹光谱作为分析对象,采用判别分析、主成分分析和Mahalanobis距离对Tencel、棉、粘胶、铜氨等纤维进行快速鉴别。分析结果表明:该方法为Tencel、棉、粘胶、铜氨进行归类提供一种可靠、简便的手段,盲样检测的准确率可达97%。     

Thermal luminescence sensor for ground-path contamination detection

A standoff method of detecting liquids on terrestrial and synthetic landscapes is presented. The interstitial liquid layers are identified through their unique molecular vibration modes in the 7.14-14.29-microm middle infrared (fingerprint) region of liberated thermal luminescence. Several seconds of 2.45-GHz beam exposure at 1.5 W cm(-1) is sufficient for detecting polydimethyl siloxane lightly wetting the soil through its fundamental Si-CH3 and Si-O-Si stretching modes in the fingerprint region. A detection window of thermal opportunity opens as the surface attains maximum thermal gradient following irradiation by the microwave beam. The contaminant is revealed inside this window by means of a simple difference-spectrum measurement. Our goal is to reduce the time needed for optimum detection of the contaminant's thermal spectrum to a subsecond exposure from a limited intensity beam.     

Origins of PM10 determined by the micro-proton induced X-ray emission spectra of single aerosol particles

The micro-proton induced X-ray emission (micro-PIXE) spectrum of a single aerosol particle (SAP) was considered as its fingerprint for tracing its origin. A proton microprobe was used to extract fingerprints of SAPs. Environmental monitoring samples of PM(10) were collected from a heavy industrial area of Shanghai and were analyzed by proton microprobe for finding their pollution sources. In order to find the sources of SAPs collected from environmental monitoring sites, a fingerprint database of SAPs collected from various pollution sources was established. The origins of samples collected through environmental monitoring were identified by comparison of the micro-PIXE spectra of SAPs with those of SAPs in the fingerprint database using a pattern recognition technique. The results of this study show that most of the measured PM(10) is derived from metallurgic industry, soil dust, coal combustion, automobile exhaust, and motorcycle exhaust. The study also shows that the proton microprobe is an ideal tool for the analysis of SAPs. The unidentified particles of PM(10) are classified into seven classes by hierarchical cluster analysis based on the element peak intensity in the spectra.     

Design and modelling of dispersion-engineered rib waveguide for ultra broadband mid-infrared supercontinuum generation

We report a dispersion-engineered As₂Se₃ chalcogenide glass rib waveguide structure for ultra broadband mid-infrared supercontinuum generation across molecular ‘fingerprint region’. The proposed rib waveguide structure offers non-linear coefficient as high as 18,250 W^?1 km^?1 at 2.5 μm. Supercontinuum spectrum spanning 2–15 μm, which not only covers the both atmospheric transparent windows (3–5 μm and 8–13 μm) in the mid-infrared domain but also covers the important molecular ‘fingerprint domain’, is obtained using only 4 mm-long rib waveguide structure. To the best of our knowledge, such broadband mid-infrared supercontinuum spectrum in As₂Se₃-based chalcogenide waveguide geometry is reported for the first time. The proposed design of rib waveguide has potential for robust, integrated and low-cost supercontinuum sources in various applications including frequency comb generation, chemical sensing, food quality control and early cancer diagnostics.     

双检测器串联色谱柱分析六味地黄丸

对高效液相色谱系统进行了改造并用于中药六味地黄丸的分析。紫外检测器与蒸发光散射检测器串联以提高峰容量;升高分析温度串联色谱柱以增加柱效。结果显示,紫外检测器共检测到156个峰,蒸发光散射检测器检测到195个峰,其中41个色谱峰为可以认证的共有峰,所构建的系统非常适宜于中草药指纹图谱的研究。     

Semi-automated detection of trace explosives in fingerprints on strongly interfering surfaces with Raman chemical imaging

We have previously demonstrated the use of wide-field Raman chemical imaging (RCI) to detect and identify the presence of trace explosives in contaminated fingerprints. In this current work we demonstrate the detection of trace explosives in contaminated fingerprints on strongly Raman scattering surfaces such as plastics and painted metals using an automated background subtraction routine. We demonstrate the use of partial least squares subtraction to minimize the interfering surface spectral signatures, allowing the detection and identification of explosive materials in the corrected Raman images. The resulting analyses are then visually superimposed on the corresponding bright field images to physically locate traces of explosives. Additionally, we attempt to address the question of whether a complete RCI of a fingerprint is required for trace explosive detection or whether a simple non-imaging Raman spectrum is sufficient. This investigation further demonstrates the ability to nondestructively identify explosives on fingerprints present on commonly found surfaces such that the fingerprint remains intact for further biometric analysis.     

胶体金的制备及其在手印显现中的应用

采用柠檬酸钠-鞣酸还原法制备出胶体金,并用紫外可见分光光谱对胶体金粒径及形态进行了评价,结合Zeta电位分析了胶体金的稳定性,利用多重金属沉积法对玻璃表面新鲜的汗潜、油潜手印进行了显现.结果表明,合成的胶体金粒径为10～35m,且胶体金颗粒形态均一,稳定性强.多重金属沉积法具有选择性吸附强、背景污染小等特点,其显现效果与粉末法相当,甚至优于粉末法.     

Imaging of resonant quenching of surface plasmons by quantum dots

In scanning tunneling microscopy (STM), confinement of surface plasmons to the optical cavity formed at the metallic tunneling gap stimulates the emission of light. We demonstrate that quantum dots (QDs) found in such a cavity give rise to discrete, observable transitions in the tunneling luminescence spectrum due to the resonant extinction of the plasmon. The observed resonances represent a fingerprint of the QD and occur at the optical band gap owing to the nearly simultaneous transfer of carriers from both sides of the tunneling gap to the QD. The resonant quenching of surface plasmons enables a new imaging technique, dubbed plasmon resonance imaging, with a spatial resolution potentially similar to that of STM and the energy resolution of optical spectroscopies. This detection and imaging strategy is not restricted to QDs, being of great interest to an entire spectrum of nanostructures, from molecular assemblies and biomolecules to carbon nanotubes.     

半导体指纹传感器图像质量评估方法

指纹图像的采集处于指纹识别系统的最前端,图像质量的好坏直接关系到系统的处理速度和准确性。针对目前广泛使用的半导体指纹传感器,根据指纹本身的固有特性,设计出一纽多通道Gabor滤波器对指纹图像进行分解和特征提取,并结合基本的图像质量评估指标进行质量分析和判断。实验结果表明：该算法能有效地判断半导体指纹传感器的图像质量,有助于提高自动指纹识别系统的整体性能。