二甲基亚砜防冻机理的拉曼光谱分析

采用拉曼光谱对不同体积比的二甲基亚砜(DMSO)水溶液进行测量, 并利用Origin 7.5对水的光谱带进行分峰, 求得拉曼光谱峰面积比值. 应用混合模型对实验结果进行了分析, 分析结果表明, 防冻剂二甲基亚砜与水混合时, 其SO基团与水分子的OH基团形成氢键(SO…H—O), 有效地阻止了四面体结构冰的生成, 并证实了二甲基亚砜与水的体积比为1∶1时, 防冻效果最佳.     

防锈颜料三聚磷酸铝的拉曼光谱研究(英文)

应用拉曼光谱研究了含有防锈颜料涂装特性的钢样 ,在此基础上探讨了三聚磷酸铝防锈颜料对A3钢的保护机理 .三聚磷酸铝溶解后能到达钢样表面 ,其离子可与铁离子化合形成三聚磷酸铁 .三聚磷铁能缓慢地通过化学键牢固地附着在钢样表面 ,最终在钢表面形成一层隔绝腐蚀介质和钢样的紧蜜保护膜阻止了腐蚀的继续发生从而达到保护的目的     

烟煤的拉曼光谱分析

为了分析煤的化学结构及性质,本文对大同塔山矿的煤样进行拉曼光谱测试。结果表明:在拉曼光谱一级模内存在两个明显的振动峰,分别为1 367cm~(-1)的D峰与1 593cm~(-1)的G峰,通过峰强度比(I_D/I_G=0.72)和半峰宽等信息可以确定出样品中芳香层排列有序化程度较高,侧链及杂原子含量较低。除此之外,在拉曼光谱中还发现方解石、白云石、金红石、锐钛矿、磁铁矿等无机矿物质的特征峰。对煤样进行X-射线衍射(XRD)和X-射线荧光光谱(XRF)测试,在XRD光谱中发现了金红石、锐钛矿及磁铁矿的衍射峰,在XRF测试中发现Al、Si、P、S、Ca、Ti、Fe、Sr等元素类型,证实了上述矿物质的存在。     

新鲜乳腺癌组织的近红外拉曼光谱分析

采用便携式拉曼光谱仪对正常、良性和恶性的乳腺癌组织进行检测,通过对其拉曼光谱的指认,归纳了其主要区别和特征. 在3类乳腺组织中有明显的脂类的特征峰（1230,1268,1301,1440和1743 cm^-1）,而在良性和恶性的组织中,则出现了较为明显的蛋白（1246,1271,1315和1364 cm^-1）和核酸（1340 cm^-1）的特征峰. 良性和恶性组织的区别在于恶性组织特有的特征峰（1340 cm^-1）,而良性组织所特有的特征峰则应归属为蛋白. 在数据分析过程中,选择能够反映样本化学本质的特征峰,利用高斯过程的机器学习对特征峰值建立模型. 特异性（0.94）、灵敏度（0.95）和Matthews相关系数（0.86）表明在模型中3种组织有比较良好的辨别度,对于应用拉曼光谱方法辨别正常和患病乳腺组织具有参考价值.     

活体小鼠中单个红细胞的拉曼光谱分析

应用拉曼光谱与光镊技术对活体小鼠毛细动脉和静脉血管中的全血以及毛细血管中的红细胞和体外的全血及单个红细胞进行研究;光谱分析显示,可以获得活体血液的拉曼光谱;在动脉毛细管和静脉毛细管中可以观察到清晰的携氧与去氧血液的不同光谱;体内血管中血红细胞的血红蛋白浓度比体外的更高,在动脉毛细管中的血红细胞的携氧态特征峰明显,且具有...     

唐代铜佛像表面残片的拉曼光谱分析

本文利用共聚焦显微拉曼光谱(CRS)结合扫描电镜-X射线能谱(SEM-EDS)技术对唐代一铜佛像的表面成分、形态及元素组成进行了分析.结果显示,该铜佛像主要是由Cu- Pb- Sn三元青铜合金组成,表面腐蚀物主要是由氧化铜,氧化亚铜,碱式碳酸铜,氧化铅,氧化锡,碳酸铅和氯化铅组成,这些成分在空气中都比较稳定,不会再对铜...     

喷气燃料性质的拉曼光谱分析

采用便携式激光拉曼光谱仪(激光光源为785 nm)测定并分析了喷气燃料的拉曼光谱特征.对拉曼光谱进行预处理,消除光源和噪音等影响,选取一定波长区间的光谱数据,结合偏最小二乘方法,采用去一法交互验证,建立了3号喷气燃料的10个理化性质模型.结果表明,可以采用便携式拉曼光谱仪测定喷气燃料冰点、粘度(20 ℃)、闪点、初馏点、10%回收温度、20%回收温度、50%回收温度、90%回收温度、终馏点和密度等质量指标,验证分析偏差(RMSEP)依次为1.4 ℃、0.020 mm2/s、1.6 ℃、0.001 g/cm3、2.4 ℃、1.4 ℃、1.2 ℃、1.0 ℃、1.5 ℃和3.6 ℃,低于或接近标准方法再现性要求.方法具有多参数、快速、不破坏样品、操作简便等优点,可用于现场喷气燃料质量的检测.     

ADP晶体晶格振动模式的拉曼光谱分析

在100~4 000 cm-1波数范围内,发现了由LabRAM HR800和Renishaw 2000 micro-Raman spectroscopy两种仪器获得的磷酸二氢铵(ADP)晶体拉曼峰不同。为探究其原因,对ADP晶体进行了空间群分析和晶格振动模式指认。分析结果表明,其原因在于非线性光学晶体中PO4、OH、P-OH和NH4基团的极化变形。     

基于稳健统计的新鲜乳腺组织拉曼光谱分析

采用便携式拉曼光谱仪对新鲜乳腺正常组织、良性组织和恶性组织进行检测,通过稳健统计方法对拉曼光谱数据进行分析处理,建立乳腺组织拉曼光谱标准图谱,根据标准图谱特征峰归纳3类组织的主要区别和特征.在3类乳腺组织中,正常组织有明显的脂类特征峰(1078,1297,1437,1653,1746 cm-1),而在良性和恶性组织中则出现了较明显的蛋白特征峰(1259,1530,1650 cm-1),正常、良性和恶性组织的主要区别集中在1340和1534 cm-1处,应归属为蛋白和类胡萝卜素,这一结果并不能由经典统计方法得出.基于稳健统计建立的新鲜乳腺组织拉曼光谱标准图谱为构建数学模型来鉴别乳腺病灶的性质奠定了基础.     

维生素PP的表面增强拉曼散射光谱研究

报道了维生素PP分子的常规拉曼光谱(NRS)及该分子在活性衬底银胶上的表面增强拉曼散射(SERS),并对它的拉曼特征峰进行了初步的指认和归属.维生素PP的常规拉曼光谱和SERS谱的对比表明,该分子吸附在银表面时,它的C‖O键与银粒子发生电荷转移,碳氧双键打开形成C-O 单键.通过分析可以推断维生素PP通过羰基和氨基垂直或斜立吸附在银表面上.     

An extensive colour palette in Roman villas in Burgos,Northern Spain: a Raman spectroscopic analysis

Seventy-five specimens from thirty fragments of Roman villa wall-paintings from sites in Burgos Castilla y Leon, Spain, have been analysed by Raman spectroscopy. This is the first time that a Raman spectrocopic study of Roman wall-paintings from Spain has been reported. The extensive range of tonalities and colour compositions contrasts with the results found in other provinces of the Roman Empire, for example Romano-British villas. Calcite, aragonite, haematite, caput mortuum, cinnabar, limonite, goethite, cuprorivaite, lazurite, green earth, carbon and verdigris have been found as pigments. Some mineral mixtures with different tonalities have been made using different strategies to those more usually found. Of particular interest is the assignation of the Tarna mine for the origin of the cinnabar used for obtaining the red colour in some specimens analysed here. The wide range of colours, tonalities and minerals found in some of the sites studied in this work is suggestive of a high social status for the community.     

基于单细胞拉曼光谱技术的葡萄球菌黄素生物合成分析

利用光镊拉曼光谱技术研究吲哚对金葡菌细胞中葡萄球菌黄素合成的抑制作用以及色素含量在分批培养过程中的动态变化。收集经不同浓度吲哚(终浓度为0,0.2,0.6,0.8,1.2和1.5 mmol/L)处理后的以及不同培养时间的金葡菌单细胞的拉曼光谱,以光谱1523 cm-1峰强度表征色素含量,并与紫外可见分光光度法得到的结果进行比较。结果表明,细菌拉曼光谱1523 cm-1峰强度与分光光度法测得的色素含量有良好的线性关系,相关系数达0.9772;群体和单细胞水平的光谱数据均表明,吲哚可剂量依赖性地抑制葡萄球菌黄素的合成,色素含量降低幅度超过70%;在分批培养中细菌色素含量在对数生长中期(12 h)达到最大值,各个时间点的群体内部细胞间色素含量的异质性较小,RSD在39.2%~61.1%之间。本研究表明光镊拉曼光谱技术是一种在单细胞水平分析葡萄球菌黄素含量的可靠方法。     

表面增强拉曼光谱法快速定量分析食品中福美双、二氰蒽醌和灭蝇胺的残留

基于表面增强拉曼光谱(SERS)技术,以Au@SiO2和Au纳米增强粒子建立了食品中福美双、二氰蒽醌和灭蝇胺的快速定量分析方法,3种农药的检出限分别为1.4μg/L、0.020mg/L和0.030mg/L。采用加标回收试验对方法进行评价,福美双在生活饮用水和碳酸梨汁饮料中的回收率在104.5%~107.1%之间,相对标准偏差为4.0%~6.2%;二氰蒽醌在生活饮用水中的回收率在81.1%~100.0%之间,相对标准偏差为4.1%~7.8%,灭蝇胺在碳酸饮料和果皮中测定的相对标准偏差均小于11.0%,结果表明该方法准确可靠,精密度高。方法成功用于加标碳酸果汁饮料、果皮表面二氰蒽醌及灭蝇胺的检测,为快速定量检测食品中农残提供了SERS方法。     

Chemical Applications of Raman Spectroscopy

Raman spectorscopy is—like infrared spectroscopy—a method for the study of vibrations of molecules and crystals. The two methods are complementary: if a vibration results in a change of the polarizability of a molecule, it is Raman active; if a change in the molecular dipole moment results, it is infrared active Vibrations of nonpolar groups and totally symmetrical vibrations of molecules are often only Raman active. IR and Raman spectra together give information about the symmetries and structures of molecules and crystals and about the properties of chemical bonds and intermolecular interactions. Until about 10 years ago Raman spectra could only be recorded on relatively large amounts of essentially colorless substances. After the advent of laser light sources the situation changed completely. The amount of sample substance required is now in the region of milli- and micrograms. Gases, liquids and solid samples, especially air-sensitive and reactive substances, single crystals, crystal needles and filaments as well as aqueous solutions can be readily investigated. The identification of molecules and the elucidation of molecular structures, biochemical analysis, and control of evnivornmental pollution are important aplications of Raman spectroscopy. Raman spectroscopy now constitutes an additional powerful tool in instrumental analysis     

拉曼光谱同时测定乙醇与葡萄糖的方法研究

以共焦拉曼光谱技术为基础,结合96孔板,对比利用一元线性回归法、多元线性回归法、主成分回归法和偏最小二乘法建立定量分析模型,探索同时定量检测乙醇和葡萄糖的快捷方法。对同一组乙醇和葡萄糖混合标准溶液进行定量检测,并用木薯淀粉发酵液进一步验证。结果表明,偏最小二乘法定量结果的平均标准误差(SE)为0.179,平均相对标准偏差(RSD)为0.029,结合二阶导数后分别降至0.106和0.021,说明偏最小二乘法具有良好的紧密度和稳定性;t检验表明,在置信度为95%的条件下,实测值与标准值间不存在显著性差异。研究表明基于拉曼光谱技术的偏最小二乘回归定量方法,能满足实验和生产对乙醇和葡萄糖检测精度的要求,可用于乙醇和葡萄糖相关成分的同时快速检测。     

表面增强拉曼光谱:应用和发展

表面增强拉曼光谱技术(Surface-enhanced Raman spectroscopy,SERS)是一种具有超高灵敏度的指纹光谱技术,目前已广泛应用于表面科学、材料科学、生物医学、药物分析、食品安全、环境检测等领域,是一种极具潜力的痕量分析技术。 本文对SERS技术及相关的针尖增强拉曼光谱(Tip-enhanced Raman spectroscopy,TERS),壳层隔绝纳米粒子增强拉曼光谱(Shell-isolated nanoparticle-enhanced Raman spectroscopy,SHINERS)技术的发展及应用进行了综合评述,并探讨了其未来的研究热点及发展方向。     

Rapid Authentication of Olive Oil by Raman Spectroscopy Using Principal Component Analysis

A method of principal component analysis was employed to authenticate genuine olive oil based on Raman spectroscopy, which can reliably distinguish olive oil from other types of oils and can also accurately identify the level of adulteration in a set of olive oil samples contaminated with 5% or more of other types of oils, such as soybean oil, rapeseed oil, sunflower seed oil, and corn oil. The method is very easy, effective, time-saving, and requires minimal sample preparation. Therefore, the method is a promising technique for the rapid authentication application of olive oil.

[Supplementary materials are available for this article. Go to the publisher's online edition of Analytical Letters for the following free supplemental resource(s): Additional text and table]     

卡西酮类新精神活性物质的差分拉曼光谱分析研究

通过对14种卡西酮类新精神活性物质标准品的差分拉曼光谱分析研究,建立了一种简便快速、准确可靠、无损检材的卡西酮类新精神活性物质的分析方法。设置差分拉曼光谱仪激光光源785nm,激光功率200mW,积分时间1s,扫描范围为2400～200 cm^-1,对14种常见卡西酮类标准品样品进行了检验分析。可以通过对差分拉曼光谱的分析区分所有14种卡西酮类物质。利用该方法可以对卡西酮类物质进行快速无损的检验,该方法可以用于公安机关实际办案。     

Coherent anti-Stokes Raman scattering: Spectroscopy and microscopy

In this review the basis, recent developments and applications of coherent anti-Stokes Raman scattering (CARS) in the fields of spectroscopy and microscopy are dialed with. The nonlinear susceptibility of the investigated molecule induced by pump and Stokes laser beams employed in the CARS technique is discussed. The relation between the nonlinear susceptibility, the different CARS laser intensities and the phase matching condition between them is also presented. The structure of CARS spectrum is analyzed as a function of the physical characteristics of the different employed lasers. This includes laser half widths, interference effects, cross-coherence and saturation of the resultant CARS signal by stimulated Raman scatter process (SRS). The different broadening mechanisms for CARS spectral line such as pressure and Doppler broadening are demonstrated. The recent progress in CARS for the in situ reaction flame diagnosis due to its suitability for detection of vibrational-rotational excited gas molecules present in the electronic ground state is discussed. CARS diagnosis for liquid- and solid-phases including the progress in polymeric materials is considered. The applications of CARS microscopy are reviewed in the view of its recent advances to study chemical and biological systems.     

表面增强拉曼光谱法同时检测奶粉中三聚氰胺和二聚氰胺

本文建立了奶粉中同时检测三聚氰胺及二聚氰胺的表面增强拉曼光谱法.奶粉样品经15％三氯乙酸溶液提取,中性氧化铝吸附杂质后进行拉曼光谱检测.三聚氰胺线性范围为0.0050～0.075 mg/L,检出限为0.0015 mg/L,回收率在79.5％～124％之间,相对标准偏差小于8.8％(n=5);二聚氰胺线性范围为0.50～l0mg/L,检出限为0.15 mg/L,回收率在76.5％～112％之间,相对标准偏差小于9.4％(n=5).该方法相比常规表面增强拉曼光谱法,仅通过一种样品前处理手段即可对奶粉中的三聚氰胺或二聚氰胺进行定性检出及定量分析,相比色谱等检测方法具有样品前处理过程简单、耗时短等优点,在奶粉质量监控方面具有良好的应用前景.