药品追溯体系融合快检技术的探索

目的：为药品追溯体系融入检验技术，强化药品追溯体系“防止假药、劣药进入合法销售渠道” 功能。方法：应用定制拉曼光谱仪采集原料、辅料、药品制剂光谱信息，实现光谱信息在拉曼光谱-化药快检支撑系统(RACOFIC)和药品追溯系统中的数据共享。结果：RACOFIC系统与药品追溯系统的对接，能够杜绝“监管码、批号均正确，但是药品已掉包”的现象发生。结论：基于拉曼光谱技术和现代化信息技术，药品追溯体系融合快检技术具有可行性和必要性。     

拉曼与近红外、中红外光谱在药品掺杂筛选应用中的前景分析

目的通过比较分析光谱法的原理、应用与药品快速检测需求,筛选最适合的快速检测信号采集方法。方法对比分析各类光谱定性分析基础、光谱数据信息采集手段、不同用户群的需求。结果红外、拉曼光谱比近红外光谱在定性鉴别方面更具优势,红外光谱可以作为实验室使用的初筛方法,拉曼光谱可以作为普筛方法使用。结论拉曼光谱为药品掺杂筛选一线首选信息采集方法。     

基于伸缩移动窗口相似度与贝叶斯法的药品拉曼光谱分析

目的 提出伸缩移动窗口相似度结合贝叶斯法通过拉曼光谱技术对弱主药信号药品的真假进行快速判别。方法 采用伸缩移动窗口相似度方法,以弱主药信号药品的药用活性成分（API）的拉曼光谱峰宽为参照,动态调整窗口的大小。在窗口内,分别计算API的拉曼光谱峰信号与药品拉曼光谱的相似度,以及药品与辅料的拉曼光谱相似度,选择那些突出API拉曼光谱峰信号对弱主药信号药品的拉曼光谱信号有贡献的窗口作为贝叶斯判别模型的变量,进而构建弱主药信号药品真假判别模型。结果 本研究构建的弱主药信号药品真假判别模型对弱主药信号药品的真假准确识别率为94.7%,对验证集样本准确识别率为95.6%。结论 基于伸缩移动窗口相似度与贝叶斯算法构建的贝叶斯判别模型可以对弱主药信号药品的真假进行快速判别。     

拉曼光谱技术及其在药物分析中的应用

拉曼光谱是研究化合物分子受光照射后所产生的散射光与入射光能量差与化合物振动频率、转动频率间关系的分析方法.该方法可用于化学物质结构分析、晶型分析、中药材真伪鉴别和成分分析及药物剂型的快速鉴别等.本文简单介绍了拉曼光谱的发展和基本原理,着重描述了拉曼光谱技术在药物分析领域的应用,并对其应用前景做了展望.     

维生素A的分子光谱分

目的:对维生素A的拉曼光谱与红外光谱进行分析,探讨其分子振动光谱与结构特征的相关性.方法:采用傅里叶变换红外光谱仪和便携式拉曼光谱仪对维生素A进行光谱检测.结果:获得了维生素A的分子光谱信息,为药物合成及质量控制提供了重要的参考价值.结论:拉曼光谱分析法与红外光谱分析法相互补充,结合两种方法,可得到较完整的分子光谱信息,有望成为药品日常监督中有效的鉴别手段.     

拉曼光谱与近红外光谱技术在药品快速分析中的应用

目的:介绍拉曼光谱法和近红外光谱法的应用现状,为其在药品流通领域打击假劣药品的应用提供参考。方法:以"拉曼光谱""近红外光谱""快速分析""假劣药品""Raman spectroscopy""Near-infrared spectroscopy""Rapid analysis""Counterfeit drug"等为关键词,组合查询1998年1月-2017年9月在中国知网、万方、维普、Pub Med、Elsevier等数据库中的相关文献,对拉曼光谱和近红外光谱技术在化学药、中药、其他制剂和辅料的快速分析中的应用进行综述。结果与结论:共检索到相关文献215篇,其中有效文献42篇。拉曼光谱法可用于定性分析,更适于含水体系,如注射液的分析;近红外光谱法可用于定性和定量分析。两种方法与传统色谱分析法相比具有快速、高效、环保、无损伤检测等优势。上述两种方法可用于化学药、中药、其他制剂和辅料的快速分析以及检查非法添加。但是,上述两种方法目前存在建立的模型覆盖面不够广、模型维护更新慢等问题,未来将由独立模型向光谱数据库、网络化共享的方向发展,并与快速液相色谱、离子迁移谱、射频标签识别等其他快速分析技术相结合,以达到更准确、快速分析的目的。     

分子光谱法在微生物鉴别和生物制品及生化药品质量控制中的应用

《中国药典》中涉及的生物制品和生化药品的生物检查是保障药效和安全性的重要方面。本文综述了红外光谱（IR）、近红外光谱（NIR）、拉曼光谱（Raman）、荧光光谱（MFS）和紫外光谱（UV）等分子光谱法在微生物鉴别及生物制品和生化药品生物检查中的应用,例如生物制品和生化药品快速质量筛查中的应用;工艺杂质控制中的应用;蛋白质聚合物分析中的应用;生物活性和效价测定中的应用以及生物制品过程分析技术中的应用。分子光谱法快速、绿色、高效的特点,使其在生物制品和生化药品质量控制方面具有巨大的潜力和广泛的应用空间。     

激光拉曼光谱快速测定中药姜黄

目的 应用激光拉曼光谱无损快速测定姜黄.方法 采集姜黄的拉曼光谱图,并结合二阶导数对其进行定性分析.结果 姜黄拉曼光谱谱中出现了1629、1596、1433、1250、1150、962、943、481 cm-1等较强的特征峰,主要归属为姜黄素类化合物和氨基酸、多糖等物质,与已知姜黄生化成分基本相符,根据谱图信息可建立姜黄的拉曼指纹图谱.应用二阶导数谱,可对结果进行进一步补充验证说明.结论 拉曼光谱技术可用于姜黄的快速测定.     

拉曼光谱法在假药快检中的研究进展

假药的存在不仅严重影响了人们的用药安全和有效,而且干扰了正常的商业与社会秩序,对假药的预防和打击已刻不容缓。近年来,拉曼光谱技术因其独特的优势在假药快检中的应用逐渐增加。本文简述了拉曼光谱法用于假药快检的优点,结合对拉曼光谱预处理、定性与鉴别分析方法的概述,对拉曼光谱法在假药快检中的应用进行了综述,并展望了拉曼光谱在假药快检领域的应用前景。     

RACOFIC系统快速鉴别单硝酸异山梨酯片的研究

目的以单硝酸异山梨酯片为研究对象,使用本院自研RACOFIC系统进行分析,研究探讨拉曼光谱对药品真伪鉴别的能力。方法分别选择不同批次的真品与伪品单硝酸异山梨酯片作为样品,进行拉曼光谱信号的采集,使用RACOFIC系统进行分析计算,通过分析真品与伪品相似度结果,研究该系统对于真伪样品的鉴别能力;通过分析相同批次与不同批次之间的相似度结果,研究该系统对于样品批内、批间差异的识别程度。结果 RACOFIC系统分析得到的单硝酸异山梨酯片伪品与真品有明显差别,且真品与真品一致,说明该系统有很好的辨假识真的能力。与此同时,同批号单硝酸异山梨酯片拉曼光谱一致,不同批号部分一致、部分疑似,说明该系统有能力识别出同厂家药品的批间差异。结论该系统对单硝酸异山梨酯片有很好的真伪鉴别效果,且大大缩短了鉴别时间,为拉曼光谱在药品快检、药品追溯体系等方面的应用奠定了良好基础。     

Raman spectroscopy in the analysis of food and pharmaceutical nanomaterials

Raman scattering is an inelastic phenomenon. Although its cross section is very small, recent advances in electronics, lasers, optics, and nanotechnology have made Raman spectroscopy suitable in many areas of application. The present article reviews the applications of Raman spectroscopy in food and drug analysis and inspection, including those associated with nanomaterials. Brief overviews of basic Raman scattering theory, instrumentation, and statistical data analysis are also given. With the advent of Raman enhancement mechanisms and the progress being made in metal nanomaterials and nanoscale metal surfaces fabrications, surface enhanced Raman scattering spectroscopy has become an extra sensitive method, which is applicable not only for analysis of foods and drugs, but also for intracellular and intercellular imaging. A Raman spectrometer coupled with a fiber optics probe has great potential in applications such as monitoring and quality control in industrial food processing, food safety in agricultural plant production, and convenient inspection of pharmaceutical products, even through different types of packing. A challenge for the routine application of surface enhanced Raman scattering for quantitative analysis is reproducibility. Success in this area can be approached with each or a combination of the following methods: (1) fabrication of nanostructurally regular and uniform substrates; (2) application of statistic data analysis; and (3) isotopic dilution.     

Principles and applications of Raman spectroscopy in pharmaceutical drug discovery and development

Introduction: In recent years, Raman spectroscopy has become increasingly important as an analytical technique in various scientific areas of research and development. This is partly due to the technological advancements in Raman instrumentation and partly due to detailed fingerprinting that can be derived from Raman spectra. Its versatility of applications, rapidness of collection and easy analysis have made Raman spectroscopy an attractive analytical tool.

Areas covered: The following review describes Raman spectroscopy and its application within the pharmaceutical industry. The authors explain the theory of Raman scattering and its variations in Raman spectroscopy. The authors also highlight how Raman spectra are interpreted, providing examples.

Expert opinion: Raman spectroscopy has a number of potential applications within drug discovery and development. It can be used to estimate the molecular activity of drugs and to establish a drug’s physicochemical properties such as its partition coefficient. It can also be used in compatibility studies during the drug formulation process. Raman spectroscopy’s immense potential should be further investigated in future.     

Drug analysis by Raman and micro-Raman spectroscopy

The technique of Raman spectroscopy, resonance Raman spectroscopy and micro-Raman spectroscopy is described for application to drug analysis and investigation. Possibilities and limits are mentioned for qualitative and quantitative analyses as well as for studies of structure and interactions. Some principal interaction modes, such as hydrogen bonding, proton transfer, charge transfer and ion-molecule attraction, are shown to explain drug reactivity. Illustrations are given based on several drug families, in particular vitamins, anti-depressants, cardio-active and anticancer drugs.     

Isolation and identification of bacteria by means of Raman spectroscopy

Bacterial detection is a highly topical research area, because various fields of application will benefit from the progress being made. Consequently, new and innovative strategies which enable the investigation of complex samples, like body fluids or food stuff, and improvements regarding the limit of detection are of general interest. Within this review the prospects of Raman spectroscopy as a reliable tool for identifying bacteria in complex samples are discussed.The main emphasis of this work is on important aspects of applying Raman spectroscopy for the detection of bacteria like sample preparation and the identification process. Several approaches for a Raman compatible isolation of bacterial cells have been developed and applied to different matrices. Here, an overview of the limitations and possibilities of these methods is provided. Furthermore, the utilization of Raman spectroscopy for diagnostic purposes, food safety and environmental issues is discussed under a critical view.     

Raman spectroscopy in pharmaceutical product design

Almost 100 years after the discovery of the Raman scattering phenomenon, related analytical techniques have emerged as important tools in biomedical sciences. Raman spectroscopy and microscopy are frontier, non-invasive analytical techniques amenable for diverse biomedical areas, ranging from molecular-based drug discovery, design of innovative drug delivery systems and quality control of finished products. This review presents concise accounts of various conventional and emerging Raman instrumentations including associated hyphenated tools of pharmaceutical interest. Moreover, relevant application cases of Raman spectroscopy in early and late phase pharmaceutical development, process analysis and micro-structural analysis of drug delivery systems are introduced. Finally, potential areas of future advancement and application of Raman spectroscopic techniques are discussed.     

过程分析技术在中药企业科技创新中的应用

目的综述过程分析技术在中药企业技术创新中的应用进展。方法分析、整理和归纳近年来国内外相关文献。结果对过程分析技术在中药生产及企业科技创新中的应用现状及发展趋势进行了概括,并对近红外光谱、拉曼光谱等技术的应用进行了介绍。结论过程分析技术将对中药研发和生产技术的提高起到重要的推动作用。     

A Raman spectroscopic investigation of bioadhesive tetracaine local anaesthetic formulations

Raman spectroscopy at 785 nm has been employed to characterise the properties of tetracaine in bioadhesive gel and patch formulations. In the first study, interactions between the drug and excipients in novel bioadhesive patch systems were characterised. It was determined that the drug did not interact with any of its formulation components, and that this was an important factor in its clinical performance, particularly the rapid onset of anaesthesia. Investigations of drug uptake in the stratum corneum from a gel formulation suggested that tetracaine rapidly undergoes a phase-change upon application to the skin. The intensity of the tetracaine Raman bands at approximately 1600 cm(-1) suggests that the local anaesthetic is rapidly absorbed into the skin. Decreases in Raman tetracaine band intensities, along with an absence in the concomitant alteration in the internal standard spectra, indicates an decrease in the tetracaine concentration present in the gel. Further, a baseline indicating complete tetracaine absorption appears to be reached after approximately 40 min of exposure. After this time little further absorption was observed, suggesting that the stratum corneum "reservoir" was saturated with tetracaine at this time. This is consistent with the optimum application time required for tetracaine gels to attain maximum clinical efficacy. This study has indicated the effectiveness of Raman spectroscopy in the analysis of gel-based pharmaceutical preparations, showing it to be a simple, rapid, virtually non-invasive technique for determination of tetracaine.     

Detection of a minor amorphous phase in crystalline etoricoxib by dynamic mechanical analysis: comparison with Raman spectroscopy and modulated differential scanning calorimetry

Detection and quantification of the amorphous phase of etoricoxib bulk drug substances, a selective cycloogenase-2 inhibitor used for the treatment of osteoarthritis, rheumatoid arthritis, and dental pain, was carried out using modulated differential scanning calorimetry (MDSC), dynamic mechanical analysis (DMA), and Raman spectroscopy. Detection of amorphous content in pharmaceutical powders by DMA is a special application of dynamic mechanical spectroscopy. DMA was found to be a sensitive technique, able to detect the presence of an amorphous phase in a crystalline phase at concentrations as low as 0.5%. The limit of detection (LOD) determined for DMA was 2.5%. In comparison, Raman spectroscopy and MDSC had LOD values of 2% and 5% amorphous, respectively.