激光拉曼光谱对苯骈杂氮（堇）类药物的定性检测

目的 建立用拉曼光谱检测苯骈杂氮革类药物的定性方法.方法 利用激光拉曼光谱仪对10种苯骈杂氮革类药物进行检验.结果 10种苯骈杂氮（萆）类药物的主成分均能被拉曼准确检出.结论 该法能较好地对苯骈杂氮革类药物固体样品快速定性分析.     

X射线衍射法（XRD）检验无机炸药初探

目的建立XRD检验无机炸药成分的方法。方法利用X射线衍射仪对单体硝酸铵及其混合炸药、黑火药等进行检验分析。结果准确确定各炸药样品物质组成。结论该方法能够直接给出无机炸药中各组分的分子式,是无机炸药定性分析的理想的方法,并且操作快速简便,无损样品。     

拉曼光谱法鉴别常见炸药

目的建立一种识别炸药的方法。方法使用激光显微拉曼光谱法对17种常见炸药粉末进行了分析。结果17种常见炸药均有丰富的拉曼位移峰,可以通过其位移峰峰位的不同区分不同成分的炸药。结论拉曼光谱法适用于快速准确地识别炸药。     

拉曼光谱快速定性分析合成毒品

目的快速定性检测合成毒品;方法利用激光拉曼光谱仪对合成毒品进行检验;结果合成毒品苯丙胺、甲基苯丙胺、氯胺酮、麻黄碱、甲基麻黄碱均能被拉曼准确检出;结论激光拉曼光谱能对合成毒品快速定性分析。     

莫达非尼药片的激光共聚焦显微拉曼光谱快速检验

目的建立莫达非尼药片的拉曼光谱快速定性检验方法。方法莫达非尼对照品和药片检材分别研磨后经拉曼光谱检验得到拉曼谱图。结果经比较,二者图谱一致,确定检出莫达非尼成分,结果可靠。结论莫达非尼药片在本文所述的条件下有较好的响应,峰型较好,峰位准确,同时药片中的淀粉等物质干扰较小。本文所建立的拉曼光谱检验方法,简便、高效、准确,可供一线执法、检验部门对查获的莫达非尼药片进行快速的定性检验。     

显微共焦拉曼光谱技术区分喷墨打印机打印的彩色图文墨迹

目的建立显微共焦拉曼光谱法区分喷墨打印机打印的彩色图文墨迹的方法。方法利用显微共焦拉曼光谱技术所具有微量、微区、原位分析及非破坏性等特点,对24种常见彩色墨水墨迹分别进行检验。结果品红色墨点墨迹成分归类区分效果最好,其次是黄色墨点,最后是蓝色墨点。结论采用显微共焦拉曼光谱技术对彩色打印墨迹进行不同颜色单点分析可大大提高喷墨打印机厂家型号的识别率,是一种有效的检测手段。     

拉曼光谱法鉴别常见毒品

目的建立一种识别毒品与其它常见白色物质的方法。方法使用激光显微拉曼光谱法对7种毒品和5种白色粉末进行了分析。结果7种常见毒品均有丰富的拉曼位移峰,可以通过其位移峰峰位的不同区分不同成分的毒品。另外,通过拉曼位移峰的峰位,还可以将7种常见毒品与5种常见白色粉末区分开来。结论拉曼光谱法适用于快速准确地识别毒品。     

黑火药的TNT当量值的实验分析

黑火药在当前涉爆案件及爆炸事故中较为常见,但是对其研究不尽完善,当遇到实际案件(事故)现场时,有许多实际问题不能解决,已经严重影响到办案质量和速度。火药是机械混合物,分为黑火药(有烟火药)和无烟火药,其爆炸威力基本相同,由于黑火药在日常生活极易接触到,因此本项目的研究以黑火药为主。黑火药是由硝酸钾、木炭和硫磺等成份组成。黑火药因应用范围不同,配比也有所不同,笔者以常用的配比配制炸药进行实验研究,在实际工作中遇到其它配比时可参照使用该结论。1爆炸装置外包装选用厚度0.2cm的纸板制作成纸箱。(1)K值标定实验。根据爆炸产…     

离子色谱在无机炸药分析中的应用

建立硝铵、氯酸盐炸药和黑火药中无机阴阳离子的定性定量分析方法,为爆炸案件或事故中炸药成分的分析提供分析方法。得出了常见无机炸药中NO3-、NO2-、SO32-、S2O32-、SO42-、ClO3-、Cl-等阴离子的色谱分析条件和NH4+、Na+、K+等阳离子的色谱分析方法。应用离子色谱法对无机炸药中常见阴、阳离子进行定性定量分析,方法简单可靠、结果准确。     

基于拉曼光谱的血液遗留时间研究与模型预测

目的针对犯罪现场血液遗留时间的判断问题,实验以不同遗留时间的血液为研究对象,建立基于拉曼光谱的血液遗留时间的辨别方法。方法采集遗留时间为0.5h~240h的指尖血液样本,获取其拉曼光谱数据,经校正和平滑处理后,对数据进行归一化。利用RSD值评价光谱的稳定性,选取前10个主成分和6个重要波段分别建立模型,利用预测集测试模型效果。结果相同遗留时间血液的拉曼光谱具有较好的稳定(RSD<0.2),不同遗留时间血液的拉曼光谱在680cm^-1等6个波段有明显的强度变化。前10个主成分建立的PLSR模型,其r²=0.9927。6个重要波段建立的PLSR模型,预测集效果r²=0.8797。结论利用拉曼光谱结合建模分析是一种无损快速的评估血液遗留时间的方法。     

二维相关红外光谱技术鉴别普通办公胶水的应用研究

目的建立一种普通办公胶水的检验鉴定方法。方法采用红外光谱法（FTIR）并结合二维相关光谱分析技术,对不同厂家生产的常用普通办公胶水,以及同一厂家生产的不同批次的胶水进行鉴别分析。结果若胶水的组成成分不同,则一维红外谱图的差异较大,若胶水的组成成分相近,则一维红外谱图的差异就不显著,甚至难以区分,但是以时间为微扰项,进行一系列动态分析,即使用二维红外谱图进行分析,也可轻易的将其区别。结论该方法增加了一维红外光谱的分辨率,可将一维红外光谱不能区分的物质,进行动态分析,由变化过程的差异从而进行区分,拓展了红外光谱的分析能力。     

Comparison of feature selection and data fusion of Fourier transform infrared and Raman spectroscopy for identifying watercolor ink

The identification of different kinds of watercolor inks is an important work in the field of forensic science. Four different kinds of watercolor ink Spectroscopy data fusion strategies (Fourier Transform Infrared spectroscopy and Raman spectroscopy) combined with a non-linear classification model (Extreme Learning Machine) were used to identify the brand of watercolor inks. The study chose Competitive Adaptive Reweighted Sampling (CARS), Random Frog (RF), Variable Combination Population Analysis-Genetic Algorithm (VCPA-GA), and Variable Combination Population Analysis-Iteratively Retains Informative Variables (VCPA-IRIV) to extract characteristic variables for mid-level data fusion. The Cuckoo Search (CS) algorithm is used to optimize the extreme learning machine classification model. The results showed that the classification capacity of the mid-level fusion spectra model was more satisfactory than that of single Infrared spectroscopy or Raman spectroscopy. The CS-ELM models based on infrared spectroscopy used to recognize the watercolor ink according to brands (ZHENCAI, DELI, CHENGUANG, and STAEDTLER) obtained an accuracy of 66.67% in the test set using all spectral datasets. The accuracy of CS-ELM models based on Raman spectroscopy was 67.39%. The characteristic wavelength selection algorithms effectively improved the accuracy of the CS-ELM models. The classification accuracy of the mid-level spectroscopy fusion model combined with the VCPA-IRIV algorithm was 100%. The data fusion method increased effectively spectral information. The method could satisfactorily identify different brands of watercolor inks and support the preservation of artifacts, paintings, and forensic document examination.     

显微红外光谱仪与显微拉曼光谱仪对纺用无色单根纤维的检测

目的研究常见纺用单根无色纤维的有效鉴别方法。方法使用显微红外光谱仪、显微激光拉曼光谱仪研究7大类纺用单根无色纤维的分子光谱。结果显微红外光谱仪、显微激光拉曼光谱仪能有效区分包括棉、粘胶、羊毛、丝、聚酰胺、聚丙烯腈和聚酯在内的7种纤维,是检测单根纤维的有效手段。785nm激发光源是显微激光拉曼光谱仪研究这7类纤维的最佳波长。但由于纺用纤维生产过程的标准化,仅依据红外或者拉曼的峰位置区分同种类、不同产地纤维的效果一般。结论显微红外光谱仪、显微激光拉曼光谱仪是鉴别常见纺用单根无色纤维的有效方法。     

A market study of green spray paints by Fourier transform infrared (FTIR) and Raman spectroscopy.

A market study of 40 different green spray paints was carried out using infrared (FTIR) and Raman spectroscopy. The infrared technique distinguished between the 12 main groups based on their binder and extender composition. After visual comparison of the spectra 22 subgroups were observed. Raman spectroscopy was also carried out on the 40 reference paints in order to determine the pigment content. Analyses were undertaken using two different excitation sources: Argon ion (514.5 nm) and Helium-Neon (632.8 nm). The first generated strong fluorescence for most of the samples and created eight groups. Using the red laser, 15 classes were observed. Finally, using an analytical sequence starting with infrared spectroscopy followed by Raman Helium-Neon and then by Raman Argon laser, most of the paints were differentiated. In this study infrared and Raman spectroscopy complemented each other. FTIR supplied information about the binder and some extenders, and Raman provided information on the main organic pigments present.     

Analytical characterization of isoheroin

The synthesis of isoheroin is presented with the analytical data (mass spectroscopy [MS], nuclear magnetic resonance [NMR], infrared spectroscopy [IR], and gas liquid chromatography [GLC]) for this compound. Comparison between analytical results for heroin and isoheroin shows differentiation is possible.     

Characterization of condom lubricant components using Raman spectroscopy and Raman chemical imaging

A condom can be described as a protective sheath used as a contraceptive or to protect against sexually transmitted diseases. However, individuals also use condoms during the commission of sexual assaults to prevent identification through deposited biological material. Raman spectroscopy offers a novel approach to identifying the presence of condom lubricant components. Furthermore, Raman chemical imaging expands on conventional Raman spectroscopy to characterize multiple condom lubricant components simultaneously in a manner that effectively demonstrates heterogeneous sample mixtures both spectrally and spatially. Known reference materials, liquid and solid lubricant components of common condom brands were successfully characterized using Raman dispersive spectroscopy and Raman chemical imaging without extensive sample preparation inherent to other analytical methods. The characterization of these materials demonstrates the potential of this technique to become a routine screening method for condom lubricants. This preliminary investigation provides a basis for future studies to determine the feasibility of Raman spectroscopy and Raman chemical imaging for condom lubricant trace detection in case type samples.     

心肌梗死的红外光谱检测

目的建立鉴定心肌梗死的红外光谱法,探讨傅里叶红外光谱面扫描技术鉴别早期心肌缺血和陈旧性心肌梗死的可行性。方法利用傅里叶变换显微红外光谱面扫描成像技术对1例心肌梗死组织样品进行逐点扫描,观测细胞酰胺A带、CH3反对称伸缩、胶原蛋白三螺旋结构及核酸和磷酸脂质PO2反收缩振动频率的光谱分布情况,绘制梗死组织的红外光谱病理图像。结果酰胺A带及胶原蛋白三螺旋结构的高吸收区、CH3反对称伸缩及核酸和磷酸脂质PO2反收缩振动的低吸收区与梗死区符合。结论傅里叶红外光谱及面扫描技术可鉴定心肌梗死病理改变,酰胺A带和胶原蛋白三螺旋结构的红外光谱图改变可特征性的判别早期心肌缺血和陈旧性心肌梗死。     

实验性大鼠弥漫性轴索损伤的傅里叶红外光谱检测

目的探讨利用傅里叶红外光谱技术诊断弥漫性轴索损伤的可行性。方法利用HE染色、银染和β-APP免疫组化染色确认大鼠弥漫性轴索损伤模型,利用傅里叶变换显微红外光谱面扫描成像技术检测弥漫性轴索损伤区域酰胺Ⅱ带的光谱分布情况,得到弥漫性轴索损伤的红外光谱数据,绘制红外光谱病理图像。结果实验组与对照组的酰胺Ⅱ带红外光谱吸收度之间存在明显差异,红外光谱病理图像中酰胺Ⅱ带的高吸收区与弥漫性轴索损伤区符合。结论傅里叶红外光谱技术可对弥漫性轴索损伤进行病理形态学诊断。     

激光喇曼光谱在物证分析中的应用

在侦察工作中,要想及时地揭露犯罪和有效地证实犯罪,就必须准确地鉴别微量物证。激光喇曼技术是研究分子结构的重要手段之一,在分析和鉴定微量的纤维、橡胶、塑料、涂料、爆炸物、油墨和墨水等物证时,有很大的优越性。     

Raman Spectroscopic Differences between Ephedrine and Pseudoephedrine

Ephedrine (EPH) and pseudoephedrine (PSE) were studied by micro‐Raman spectroscopy and UV resonance Raman spectroscopy excited at 785 and 360 nm, respectively. Raman bands at approximately 245 and 410 cm^?1 for ephedrine have apparent differences from the same bands at approximately 215, 265, 350, 450, and 555 cm^?1 for pseudoephedrine, and these differences can be applied to distinguish between EPH and PSE. Additionally, density functional theory was used for the Raman calculations to obtain results identical to the experimental spectra. This work is expected to expand the applications of Raman spectroscopy in forensic science.