麦冬及其非正品的傅里叶变换红外光谱鉴别

目的：建立中药材麦冬及其非正品的直接鉴定理论和方法。方法：采用傅里叶变换红外光谱(FTIR)法并借助OMNI采样器直接测定法测定麦冬及其非正品的FTIR。结果：发现麦冬表皮以内部分和外表皮的FTIR峰位基本无差别，浙麦冬与川麦冬、湖北麦冬、短葶山麦冬、土麦冬、阔叶山麦冬及竹叶麦冬差异有显著性(P＜0.05)。结论：FTIR法可用于中药材麦冬的真伪鉴别，该法简便、快速、准确，而且不需制备样品。     

傅里叶变换红外光谱对药品中沙门菌的鉴别

目的：应用傅里叶变换红外光谱技术对30个含动物组织的中成药中的沙门菌进行鉴别。方法：用傅里叶红外变换光谱对30个中成药中的沙门菌进行指纹图谱数据采集,用聚类分析方法进行比较。结果：确定了1200～900,3000～2800,1500～1400 cm^-1三个特征谱区,并在此基础上进行聚类分析,使菌株得到较准确的归类。结论：傅里叶红外变换光谱具有快速、准确、方便等优点,且重现性高,是药品中控制沙门菌的一个重要补充方法。     

傅里叶变换红外光谱技术鉴别4种中药材的不同来源

目的:对矮地茶、大黄、黄芩、夏枯草4种中药材不同批次样品的来源进行鉴别。方法:采用傅里叶变换红外光谱(FTIR)技术获得4种中药材各个批次样品的红外光谱图和高分辨的二阶导数谱,并对其进行分析。结果:每种不同来源的中药材即产地不同的野生品与栽培品均具有不同的红外光谱特征,其红外吸收峰峰位与相对强度均存在一定差异;并且二阶导数谱更加突出了红外光谱的特征性。结论:本方法快速、简单、特征性强,可以对中药材不同批次样品的来源进行鉴别。     

香附及其伪品天葵子的衰减全反射傅里叶变换红外光谱鉴别及聚类分析

目的:建立快速鉴别香附及其伪品天葵子的方法。方法:采用衰减全反射傅里叶变换红外光谱(ATR-FTIR)技术获得香附及天葵子的红外光谱,对其进行分析,并用聚类分析法对不同炮制方法(烘、蒸、煮)所得到的香附及天葵子进行进一步分析。结果:香附及天葵子的红外光谱吸收峰位、峰强有较大的区别。聚类分析结果表明,同一种中药材经不同方法炮制后的结构信息基本一致,所含化学成分具有一定的相似性。结论:该方法快速、简单、特征性强,可用于对香附及天葵子进行快速鉴别。     

傅里叶变换红外光谱法在药学研究中应用的最新进展

物质的红外图谱包含丰富的结构信息 ,集中表现了各种基团的振动形式 ,因此红外光谱法一直是经典的结构分析方法。近年来 ,傅里叶变换红外光谱法 (ｆｏｕｒｉｅｒｔｒａｎｓｆｏｒｍｉｎｆｒａｒｅｄｓｐｅｃｔｒｏｓｃｏｐｙ ,ＦＴＩＲ)发展迅速 ,成为定性、定量分析和研究分子相互作用的有效手段。它具有噪声低、光通量高、测量速度快、波数精度高、频率测量范围宽等优点 ,同时借助各种附件技术 ,如光声光谱、漫反射光谱、反射吸收光谱和发射光谱等 ,因而在许多领域具有广阔的应用前景。红外光谱图的复杂性一直是困扰人们的难题。近年来 ,…     

傅里叶变换红外光谱法快速鉴别虎掌南星

目的:研究虎掌南星的红外光谱鉴别方法。方法:利用傅里叶变换红外光谱法,研究不同产地和不同生境虎掌南星及其提取物的红外谱图特征。结果:在2000～700cm-1波长区间,虎掌南星红外特征吸收峰明显。结论:本方法快速、准确,红外图谱谱峰显著,具有特征性,可用于虎掌南星药材的快速鉴别。     

傅里叶变换红外光谱-排序法鉴别土茯苓真伪的研究

目的 建立中成药土茯苓饮片的质量分析方法. 方法 采用水平衰减全反射傅里叶变换红外光谱（HATR-FTIR）法直接测定法获得样品的FTIR,以样品粉末作为比较标准,分别选取31组具有代表性吸收峰的吸光度数据为基础,以样品为分析对象进行主成分分析. 应用主成分析法比较了正伪品之间的差异程度. 结果 FTIR的主成分分析在反映同属不同种及不同属或科植物化学组成差异程度上具有应用价值. 结论 采用FTIR直接测定法并结合主成分分析应用于土茯苓的质量分析,简便、快速、准确,而且不需制备样品.     

傅里叶变换红外光谱法应用于盐酸环丙沙星胶囊的含量测定

目的：建立盐酸环丙沙星胶囊的含量测定方法。方法：采用漫反射傅里叶变换红外定量分析技术测定盐酸环丙沙星胶囊的含量。结果：测定出样品中盐酸环丙沙星的含量，可排除辅料的影响，且吸收度与盐酸环丙沙星的质量百分数成良好的线性关系，平均回收率为98．80％，RSD为2．31％。结论：本方法简便、准确、可靠，可用于盐酸环丙沙星胶囊的含量测定。     

西洋参与籽播参的傅里叶变换红外光谱法鉴别

目的 为了建立西洋参与籽播参有效的鉴别方法。方法 采用傅里叶变换红外光谱（FTIR）仪并借助OMNI采样器直接测定了样品的FTIR。结果 西洋参及籽播参外表皮及木质部的傅里叶变换红外光谱吸收差别较大。结论 可以采用FTIR直接测定法鉴别籽播参与西洋参，本法简便、快速、准确，而且不需制备样品。     

傅里叶自解卷积红外光谱定量分析法测定头孢氨苄

目的:建立头孢氨苄胶囊的含量测定方法.方法:采用傅里叶自解卷积红外光谱定量分析技术测定了头孢氨苄胶囊的含量.结果:吸收度与头孢氨苄的质量百分数成良好的线性关系,平均回收率为98.98%,RSD为1.06%.结论:本方法简便、准确、可靠,可用于头孢氨苄胶囊的含量测定.     

Stress degradation studies of nelfinavir mesylate by Fourier transform infrared spectroscopy

Nelfinavir mesylate is the first nonpeptidic protease inhibitor available in pediatric formulation. In the present paper the stability of nelfinavir mesylate under different stress conditions is evaluated using Fourier transform infrared spectroscopy. The drug is subjected to thermal degradation, photodegradation, acid hydrolysis, base hydrolysis and oxidation as per ICH guidelines. Differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), X-ray diffraction (XRD) and high performance liquid chromatography (HPLC) are carried out to support the implementation of infrared spectroscopy for the stability studies of nelfinavir mesylate. Significant changes are observed in the IR spectra collected after exposing the drug to thermal radiations, acid and base hydrolysis and oxidative degradation. No change is observed in the spectra of the drug after exposing it to sunlight indicating the good photostability of nelfinavir mesylate. The results of infrared spectroscopy agree well with that of other complementary techniques as DSC, TGA, XRD and HPLC.     

傅里叶红外光谱法鉴别巴戟天及其伪品的研究

目的:为了快速准确地鉴别巴戟天及其伪品。方法:采用傅里叶红外光谱法对巴戟天药材及其常见伪品羊角藤、铁箍散、假巴戟和恩施巴戟进行测定,通过比较一、二级红外谱图相似度和特定谱段相似系数对其真伪进行分析。结果:在一、二级红外谱图上均可根据特征峰比对分析法和特征谱段相似系数法快速鉴别巴戟天及其伪品。结论:红外光谱法用于巴戟天药材真伪鉴别准确、快速,可以作为巴戟天药材真伪鉴别的一种现代化检测方式。     

Fourier transform mid-infrared (MIR) and near-infrared (NIR) spectroscopy for rapid quality assessment of Chinese medicine preparation Honghua Oil

Honghua Oil (HHO), a traditional Chinese medicine (TCM) oil preparation, is a mixture of several plant essential oils. In this text, the extended ranges of Fourier transform mid-infrared (FT-MIR) and near infrared (FT-NIR) were recorded for 48 commercially available HHOs of different batches from nine manufacturers. The qualitative and quantitative analysis of three marker components, alpha-pinene, methyl salicylate and eugenol, in different HHO products were performed rapidly by the two vibrational spectroscopic methods, i.e. MIR with horizontal attenuated total reflection (HATR) accessory and NIR with direct sampling technique, followed by partial least squares (PLS) regression treatment of the set of spectra obtained. The results indicated that it was successful to identify alpha-pinene, methyl salicylate and eugenol in all of the samples by simple inspection of the MIR-HATR spectra. Both PLS models established with MIR-HATR and NIR spectral data using gas chromatography (GC) peak areas as calibration reference showed a good linear correlation for each of all three target substances in HHO samples. The above spectroscopic techniques may be the promising methods for the rapid quality assessment/quality control (QA/QC) of TCM oil preparations.     

傅立叶变换红外光谱技术在生物技术领域中的应用

目的总结傅立叶变换红外光谱技术（FTIR）在生物技术领域中的应用与研究概况。方法以傅立叶变换红外光谱技术在生物技术领域的研究现状为依据,对该技术理论和应用现状进行分析与归纳。结果与结论通过理论与实例分析表明,目前傅立叶变换红外光谱技术在生物技术研究中得到普遍应用,同时,随着相关理论的发展与完善,该项技术在相关领域的应用将更趋广泛与深入。     

Data fusion of Fourier transform infrared spectra and powder X-ray diffraction patterns for pharmaceutical mixtures

Fusing complex data from two disparate sources has been demonstrated to improve the accuracy in quantifying active ingredients in mixtures of pharmaceutical powders. A four-component simplex-centroid design was used to prepare blended powder mixtures of acetaminophen, caffeine, aspirin and ibuprofen. The blends were analyzed by Fourier transform infra-red spectroscopy (FTIR) and powder X-ray diffraction (PXRD). The FTIR and PXRD data were preprocessed and combined using two different data fusion methods: fusion of preprocessed data (FPD) and fusion of principal component scores (FPCS). A partial least square (PLS) model built on the FPD did not improve the root mean square error of prediction. However, a PLS model built on the FPCS yielded better accuracy prediction than PLS models built on individual FTIR and PXRD data sets. The improvement in prediction accuracy of the FPCS may be attributed to the removal of noise and data reduction associated with using PCA as a preprocessing tool. The present approach demonstrates the usefulness of data fusion for the information management of large data sets from disparate sources.     

Applications of Fourier transform infrared spectroscopic imaging to tablet dissolution and drug release

Introduction: Solid oral dosage forms are the most commonly used method for administering active pharmaceutical ingredients to patients. Understanding the mechanisms and processes of drug release is essential for improving the design of pharmaceutical tablets.

Areas covered: In this review, recent approaches where attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopic imaging has been applied to study tablet dissolution and drug release have been investigated. Drug release studies of model pharmaceutical systems composed of drug/polymer mixtures in the presence of aqueous solutions have been discussed, as has the subsequent combination with UV/Vis spectroscopic detection to quantify the amount of drug dissolved as a function of time. The use of a single-reflection ATR accessory with a diamond crystal allows for in situ FTIR imaging of tablet compaction and dissolution.

Expert opinion: ATR-FTIR imaging can address the challenges of investigating the mechanisms of drug release from a range of innovative new delivery systems. Unlike standard dissolution tests, this spectroscopic imaging method obtains insight and information about changes within the tablet during dissolution. Areas where ATR-FTIR imaging has shown further potential to be particularly useful are for the study of multi-layered solid tablets, high-throughput analysis, use of microfluidic devices and for surface-enhanced ATR-FTIR spectroscopy.     

Quantitative Analysis of Mercaptoundecahydrododecaborate by Fourier Transform Infrared Spectroscopy

Mercaptoundecahydrododecaborate (BSH) is an important agent in boron neutron capture therapy (BNCT) of various cancers. A simple and rapid analytical method for the measurement of mercaptoundecahydrododecaborate in aqueous solution and in urine by Fourier transform infrared spectroscopy has been developed. A thin-pathlength sampling apparatus was used to minimize the strong absorption of water. The subtraction of water absorbance from sample spectra resolved a B-H band at 2493 cm^–1. The quantitative measurement of BSH concentration was carried out by integrating the B-H band above baseline in the range of 2534-2440 cm^–1. The lower limit of measuring the concentration of sodium BSH (Na₂B₁₂H₁₁SH) in our experiment was 10 µg/ml (about 5 ppm of boron). This method measures the hydroborate (B-H) concentration instead of total boron and, thus, may be utilized to measure the BSH concentration in in vivo samples for metabolic studies.     

Fourier transform infrared spectroscopy studies of lipid domain formation in normal and ceramide deficient stratum corneum lipid models

The current work describes thermotropic and kinetic Fourier transform infrared (FTIR) spectroscopy studies of lipid dynamics and domain formation in normal and ceramide (CER) deficient lipid samples designed as simple models of the stratum corneum (SC). For the first time, this work focuses on the time dependence of lipid reorganization and domain formation in CER deficient models. By utilizing deuterated fatty acid (FA) and simultaneously monitoring the methylene vibrational modes of both CER and FA chains these experiments follow the time evolution of lipid organization in these SC lipid models following an external stress. Kinetic and thermotropic experiments demonstrate differences in both CER and FA chain fluidity and ordered domain formation with decreased levels of CER. In the CER deficient model, the formation of CER orthorhombic domains is retarded compared to the normal model. Furthermore, there is little evidence of hexongally packed (or mixed) FA domains in the CER deficient model compared to the models of normal SC. These data demonstrate that barrier lipid organization, in terms of ceramide domain formation, is altered in the ceramide deficient model. This work highlights the successful development of an experimental methodology to study time dependent changes in lipid biophysics in simple SC model membranes and suggests this approach will prove useful for understanding some of the biophysical changes that underlie impaired physiological barrier function in diseased skin.     

Toluene diisocyanate-induced conformational changes of serum albumin: a study on repeated inhalations in guinea-pigs

High responder lines of Hartley guinea-pigs were sensitized by repeated inhalations of toluene diisocyanate (TDI). After 3 weeks, we demonstrated a degree of TDI substitution of the serum-albumin-enriched fraction (AEP) and we ascertained the sensitization of the most exposed animals using PCA methodology. Fourier transform infrared spectroscopy (FT-IR), used to investigate conformational changes in AEF, highlighted the structural modifications of the native protein conformation. Such crucial changes may support, at least in part, the relationship between TDI exposure and triggering of hypersensitivity reactions.