裂解毛细管柱气相色谱－傅里叶变换红外光谱的剖析应用

采用裂解气相色谱－傅里叶变换红外光谱（ＰｙＧＣ／ＦＴＩＲ）技术，使用大口径毛细管柱，分析了一未知进口涂料，对其主要裂解碎片峰进行了定性，进而从特征碎片的产生推出该涂料的成分。并同常规红外光谱差减法进行了比较，结果表明ＰｙＧＣ／ＦＴＩＲ具有简便、快速、全面和无需标样等优点，有广泛的应用价值。     

A critical comparison of solid sample preparation techniques in infrared spectroscopy

The growing capabilities of FTIR spectrometers and computers have opened the use of new sample preparation techniques in infrared spectroscopy. In addition to the established KBr pellet technique and ATR spectroscopy, diffuse reflectance and photoacoustic spectroscopy are increasing in importance. A systematic experimental comparison of these techniques has been made in order to make proper use of their mutual advantages.     

Spectral Properties of Foams and Emulsions

The optical and spectral properties of foams and emulsions provide information about their micro-/nanostructures, chemical and time stability and molecular data of their components. Foams and emulsions are collections of different kinds of bubbles or drops with particular properties. A summary of various surfactant and emulsifier types is performed here, as well as an overview of methods for producing foams and emulsions. Absorption, reflectance, and vibrational spectroscopy (Fourier Transform Infrared spectroscopy-FTIR, Raman spectroscopy) studies are detailed in connection with the spectral characterization techniques of colloidal systems. Diffusing Wave Spectroscopy (DWS) data for foams and emulsions are likewise introduced. The utility of spectroscopic approaches has grown as processing power and analysis capabilities have improved. In addition, lasers offer advantages due to the specific properties of the emitted beams which allow focusing on very small volumes and enable accurate, fast, and high spatial resolution sample characterization. Emulsions and foams provide exceptional sensitive bases for measuring low concentrations of molecules down to the level of traces using spectroscopy techniques, thus opening new horizons in microfluidics.     

Challenges in the structural characterization of thin organic films

This review addresses the special problems associated with the micro-structural characterization of thin and ultrathin organic films, primarily by optical spectroscopies. Films which are deposited by Langmuir-Blodgett techniques, self-assembly chemistry, and bulk film deposition techniques are considered. The use of enhanced optical excitation using surface phasma resonances and integrated optical structures is discussed extensively, as is the use of ellipsometry. Discussion of the spectroscopies used is broken into a section on electronic spectroscopies and an extensive discussion of vibrational spectroscopies. Vibrational information may be obtained with photons (absorption or scattering) or electrons (loss spectra), and the types of experimental systems amenable to each, along with the advantages and disadvantages of each are explored.     

Polarization Dependent Time-Resolved Infrared Spectroscopy and Its Applications

Polarization dependent time-resolved infrared (TRIR) spectroscopy has proven to be a useful technique to study the structural dynamics in a photochemical process. The angular information of transient species is obtainable in this measurement, which makes it a valuable technique for the investigation of electron distribution, molecular structure, and conformational dynamics. In this review, we briefly introduce the principles and applications of polarization dependent TRIR spectroscopy. We mainly focused on the following topics: (i) an overview of TRIR spectroscopy, (ii) principles of TRIR spectroscopy and its advantages compared to the other ultrafast techniques, (iii) examples that use polarization dependent TRIR spectroscopy to probe a variety of chemical and dynamical phenomena including protein conformational dynamics, excited state electron localization, and photoisomerization, (iv) the limitations and prospects of TRIR spectroscopy.     

Polarization modulation Fourier transform infrared spectroscopy

Polarization modulation Fourier transform infrared spectroscopy can be measured by either double modulation FTIR or interferometric modulation FTIR techniques. The principles of both techniques are presented with examples of representative measurements. The relative advantages and disadvantages of each method are compared.     

Raman Spectroscopy—A Prospective Tool in the Life Sciences

Although the physics of Raman spectroscopy and its application to purely chemical problems is long established, it offers a noninvasive, nondestructive, and water‐insensitive probe to problems in the life sciences. Starting from the principles of Raman spectroscopy, its advantages, and methods for signal enhancement, the bulk of the review highlights recent applications. Structural investigations of a hormone receptor, testing the biocompatibility of dental implants, probing soil components and plant tissue alkaloids, and localization of single bacteria are just four problems in which Raman spectroscopy offers a solution or complements existing methods.     

Resonance Raman Spectroscopy as a Tool for the Detection and Identification of Pollutants in Water

The use of resonance Raman spectroscopy in water pollution is reviewed. After a short introduction to the technique, the results obtained with this method are illustrated with examples of coloured compounds (such as fabric dyes and food dyes) and non-coloured compounds (such as phenolic compounds and nitrobenzene pesticides). Attention is given to detection limits in distilled and natural water, to identification capabilities and to quantitative determinations. The major advantages are indicated and the problem of interferences due to fluorescence and its reduction are shortly discussed.     

Interfacing between supercritical fluid chromatography and infrared spectroscopy — A review

Summary Coupling of supercritical fluid chromatography (SFC) and infrared spectroscopy (IR) is growing in popularity. SFC/IR is one of the important hyphenated techniques in modern analytical chemistry. Basically two types of interfacing approaches have been introduced: direct flow cell and solvent elimination. These techniques are reviewed and their advantages and disadvantages are discussed.     

傅里叶变换技术在紫外可见光谱区的应用

本文评述了傅里叶变换在紫外可见光谱区的应用，探讨了傅里叶变换在紫外可见光谱学以及信号处理两方面的内容。详细介绍了傅里叶变换在紫外可见区遇到的问题、主要优点和发展前景。     

Probing ligand-protein recognition with sum-frequency generation spectroscopy: the avidin-biocytin case.

Infrared/visible sum-frequency generation (SFG) spectroscopy is used to study the recognition of a protein (avidin) by a derived vitamin (biocytin) adsorbed on a calcium fluoride substrate. The specificity of the process is tested by replacing avidin with bovine serum albumin or presaturated avidin. The SFG spectroscopy shows drastic modifications in the CH and NH spectral ranges only upon exposure of the biocytin film to avidin. The comparison of the SFG data with Fourier transform infrared reflection absorption spectra (FT-IRRAS) in the same spectral ranges illustrates the advantages of nonlinear spectroscopy for studying and detecting recognition between biomolecules.     

The potential of mid infrared spectroscopy (MIRS) for real time bioprocess monitoring

The need for effective bioprocess (fermentation) monitoring is growing in importance due to the rapid pace of change in the fermentation industry, and attendant financial pressures. Vibrational spectroscopy has shown great promise in bioprocess monitoring. In particular, recently attention has been focused on the capability of mid infrared spectroscopy (MIRS) to monitor multiple analytes in highly complex fermentation fluids. The potential of this powerful analytical technique is critically evaluated by discussion of relevant studies. The advantages and limitations of MIR are discussed in the context of “rival” technologies, such as near infrared, focusing especially on employing such techniques in bioprocesses for real time (either in situ or ex situ) measurements. The potential barriers to the development of MIRS for real time monitoring are identified and further research directions highlighted.     

Characterization of Paint by Fourier-Transform Infrared Spectroscopy,Raman Microscopy,and Scanning Electron Microscopy-Energy Dispersive X-ray Spectroscopy

The identification of automotive coatings has become important for forensic scientists to trace suspects. Popular automotive coatings include acrylic, amino, alkyd, nitro, and polyurethane paints. Various pigments and additives are added to the coatings, which may create difficulty in characterization of paint evidence. In this study, Fourier-transform infrared spectroscopy, Raman spectroscopy and scanning electron microscopy-energy dispersive X-ray spectroscopy were used to characterize an eleven-layer paint sample. Most layers were only a few micrometers thick. Infrared spectroscopy has several advantages in identifying resins and additives, while Raman is more effective in characterizing additives and inorganic pigments. Scanning electron microscopy-energy dispersive X-ray spectroscopy provides elemental analysis information. The results reveal that the combination of these techniques provides more accurate paint identification than using them separately.     

Characterization of Ligand Binding by Saturation Transfer Difference NMR Spectroscopy

Fast identification of binding activity directly from mixtures of potential ligands is possible with the NMR method described, which is based on saturation transfer to molecules in direct contact to a protein. In addition, the ligand's binding epitope is easily identified. High sensitivity and ease of use are the principal advantages of this method. The picture shows the normal 1D NMR spectrum of a mixture and the spectrum obtained by applying the STD method, which exclusively shows signals from molecules with binding affinity.     

Urban ozone measurements using differential optical absorption spectroscopy

In order to improve the air quality in Europe the European Commission has issued a number of directives with regard to acceptable levels of a range of gaseous pollutants, which includes ozone. Therefore, monitoring of this compound is necessary to comply with EU legislation, to provide improved pollution warnings for those who are sensitive to air pollutants as well as providing valuable data for environmental planning. Open-path spectroscopic techniques, such as differential optical absorption spectroscopy (DOAS), are ideal for monitoring pollutants because of the advantages they offer over classical methods and point-source analysers. A DOAS system has been installed in Dublin city centre to monitor a range of criteria pollutants including ozone. Observations of urban background ozone concentrations are presented. The measurements are compared with those obtained using a UV point-source analyser and are presented in the context of the current EU directive. The influence of trans-boundary pollution from mainland Europe leading to ozone episodes is also discussed. Observations of high ozone during this measurement campaign coincided with the influx of photochemically polluted air masses which originated over continental Europe. For the analysed time interval, the data suggest that the ground ozone level in Dublin might be significantly influenced by long-range transport from the United Kingdom and continental Europe.Awarded a Poster Prize on the occasion of the Colloquium Spectroscopicum Internationale XXXIII, Granada, 7–12 September 2003     

Microarray‐Based Detection of Dye‐Labeled DNA by SERRS Using Particles Formed by Enzymatic Silver Deposition

The growing interest in DNA diagnostics is addressed today by microarrays with fluoresence detection. In our approach, we utilize spatially defined arrays of short oligonucleotides on a modified glass surface. Surface enhanced resonance Raman scattering (SERRS) is used to obtain molecularly specific spectra of the Raman‐active dye‐labeled DNA. Nanoparticles produced by enzymatic silver deposition are used as SERS‐active substrate. They grow directly on the modified oligonucleotides and only in the spatially defined areas on the chip. Furthermore, they potentially offer several advantages for SERS detection. The nanoparticles are characterized and their ability for use as SERS‐ and SERRS‐active substrate is estimated. Three different Raman‐active dyes are investigated for their potential for involvement in sequence specific DNA analysis.     

Recent Advances in Nanomaterial Probes for Optical Biothiol Sensing: A Review

The determination of biological aminothiols (mainly cysteine, homocysteine, and glutathione) is an important tool in the clinical diagnosis of many disorders and diseases. Therefore, the development of new chemical sensors and probes has attracted considerable attention. Nanomaterials have a profound role in this endeavor since they offer some unique advantages such as lower cost, faster analysis times, and ease of operation compared to classic instrumental techniques such as liquid chromatography and capillary electrophoresis. In this review, we provide a focused outline on the most recent evolvements in optical biothiol sensing using nanomaterials. The most important reaction mechanisms and detection strategies are summarized and compared in terms of their sensitivity and selectivity against various biothiol species. Critical fields for future research and challenges are discussed and elucidated.     

A Background and noise elimination method for quantitative calibration of near infrared spectra

A new hybrid algorithm is proposed to eliminate the varying background and noise simultaneously for multivariate calibration of near infrared (NIR) spectral signals. The method is based on the use of multi-resolution, which is one of the main advantages provided by wavelet transform. The signals are firstly split into different frequency components, which keep the same data points of the original signals. In conjunction with a modified uninformative variable elimination (mUVE) criterion, the new method can be used to remove the low-frequency varying background and the high-frequency noise simultaneously. The method is successfully applied to simulated spectral data set and experimental NIR spectral data, resulting in more parsimonious multivariate models with higher precision. In addition, the proposed strategy can be applied to other spectral signals as well.     

食源性致病菌的表面增强拉曼光谱检测技术研究进展

食源性致病菌引起的疾病的快速管控与预防是当前各国面临的食品安全监管难题之一,受到社会各界的广泛关注。目前常用的食源性致病菌检测方法存在步骤复杂、耗时、灵敏度低或选择性差等局限,发展快速、可靠的食源性致病菌检测方法仍是食品安全和公众健康的热点研究领域。表面增强拉曼光谱(SERS)作为一种新型的光谱快检技术,具有灵敏度高、选择性好、快速、无损检测等优点,在食源性致病菌检测方面表现出广阔的应用前景。该文简要介绍了SERS技术的背景、增强机制并总结了用于致病菌检测的活性纳米结构,全面综述了近5年来利用直接或间接SERS法以及SERS与其他技术结合检测食源性致病菌的研究进展,同时讨论了这些方法的优缺点。最后,提出当前SERS技术在实际应用中面临的挑战,并展望了SERS在食源性致病菌检测领域未来可能的发展趋势。