Performance evaluation of the digital smoothing polynomial filter in ultrasonic IRIS applications

The digital smoothing polynomial filter or Savitzky-Golay filter, which is assumed to be appropriate for ultrasonic IRIS applications due to its ability of conciliation between the high smoothing level and degree of peak retention, fits a set of data points to a polynomial by applying least-squares fitting. In this study, the performance of the digital smoothing polynomial filter is evaluated in terms of signal-to-noise ratio and interface echoes preservation. Moreover, a smoothing polynomial filter that works in a cascade setup is proposed to take advantage of the conciliation ability of the standard filter. The theory and experiments of the polynomial smoothing filter are presented, and graphical results are given. The evaluation results of the digital smoothing polynomial filter showed its efficiency in smoothing and echo signals reproduction. The proposed cascade filter gave considerable advantages.     

Detection of heroin covered by skin by using robust principal components analysis

Nowadays, body packing has become an increasingly important approach for trafficking drugs. In this paper, robust principal component analysis (PCA) was demonstrated as a promising suitable method to detect heroin covered by skin based on the profile of energy dispersive X-ray diffraction spectrum. Firstly, some potential impact factors were investigated. Results showed that the signal was optimized when the scatter angle of 8° and the count time of 1 min were chosen. Then, after being truncated, denoised and autoscaled, spectra of heroin, skin and heroin covered by skin were analyzed by robust PCA. Compared with classical counterpart, robust PCA effectively extracted principle components of samples, and successfully identified heroin covered by skin. Finally, based on Robust PCA, a method of identification was set up. This suggests that robust PCA can be employed in detecting drugs packed in body.     

基于PCA-SVM融合离子迁移谱与拉曼光谱的毒品鉴别方法

光学检测的指纹图谱具有专属性强、稳定性好、重现性好的特性。通过离子迁移谱毒品探测仪(IMS)与易制毒化学品拉曼快速检查仪分别采集离子与拉曼光谱的双谱图数据,然后将两个谱图进行创新数据融合后,结合主成分分析(PCA)和支持向量机(SVM)分类法对毒品进行鉴别。实验结果表明,融合后的数据相较于分别用单谱图数据进行鉴别,有效提高了对毒品的识别率和准确性。为鉴别毒品提供了一种安全、快速、可靠的新分析方法。     

Characterization of nutritional parameters in bovine milk by Raman spectroscopy with least squares modeling

The macronutrient constitution of bovine milk was investigated by Raman spectroscopy involving 830 nm excitation at 300 mW from 600–1800 cm^?1 with a probe. Bovine milk was analyzed for total proteins, casein, total fat, and lactose by standard assays. The concentrations of these components were estimated by correlating these assays with the fitting coefficients based on least-squares fitting of lactose, casein, triolein, and stearic acid and milk spectra to prepare calibration curves. The model was employed for the analysis of milk from local markets. The spectra of milk were dominated by bands of proteins, lipids, and carbohydrates. There was a strong correlation between the concentrations of total proteins and casein (r = 0.75 and 0.73, respectively), and very strong correlation for total fat and lactose (r = 0.93 and 0.91, respectively) with the standard errors of prediction of 0.49, 0.38, 0.61, and 0.27 mg/dL, respectively. The milk contained lower concentrations of lactose and protein than in the nutritional facts table. The amount of saturated fat was close to the nutritional value with more unsaturated fat. A single Raman spectrum was employed to characterize the composition of milk and may have application for rapid quality control.     

Micro‐Raman Spectroscopy Study of Human Pterygium and Conjunctival Melanocytic Nevi

Pterygium, a common ophthalmic disease that is caused by fibrovascular growth of conjunctiva and conjunctival melanocytic nevi that is another conjunctival disease, are detected by Raman spectroscopy in the present study. We find that there is an obvious increase in the intensity at the peak of 1,583 cm^?1 that is assigned to C=C unsaturated fatty acids stretch of lipids in the pterygium tissue, and 1,639 cm^?1 also increased which belongs to amide I. Also, PCA (Principal Component Analysis) was used to classify the normal conjunctiva from the pterygium tissue. For the conjunctival melanocytic nevi, the intensity of Raman spectrum region between 1,550 cm^?1 and 1,650 cm^?1 that belong to protein has increased, which indicates that the content of protein in conjunctival melanocytic nevi is more richer than the normal ones. SCANNING 34: 395–398, 2012. © 2012 Wiley Periodicals, Inc.     

基于指数拟合的瞬态热学测试分析方法

根据瞬态热测试结果反推结构函数法的算法步骤通常包括数据拟合、平滑、求导、反卷积和网络结构转换,其中拟合和平滑分两步实现。在后续数据处理中,由于实际的测试数据信号含有很多未知噪声,往往会导致病态或不适定问题,所以在获得最终结构函数之前需要对测试数据进行去噪平滑处理。采用在原始数据理论数学模型基础上建立起来的利用最小二乘法拟合进行的数据平滑方法,此方法既省去了测试数据因寄生误差而必须进行的拟合操作,又能对含噪瞬态响应数据进行平滑,从理论建模分析和实际测试数据的分析及应用均可以看出该方法是有应用价值的。     

Wavelet-based image restoration for compact X-ray microscopy

Compact water‐window X‐ray microscopy with short exposure times will always be limited on photons owing to sources of limited power in combination with low‐efficency X‐ray optics. Thus, it is important to investigate methods for improving the signal‐to‐noise ratio in the images. We show that a wavelet‐based denoising procedure significantly improves the quality and contrast in compact X‐ray microscopy images. A non‐decimated, discrete wavelet transform (DWT) is applied to original, noisy images. After applying a thresholding procedure to the finest scales of the DWT, by setting to zero all wavelet coefficients of magnitude below a prescribed value, the inverse DWT to the thresholded DWT produces denoised images. It is concluded that the denoising procedure has potential to reduce the exposure time by a factor of 2 without loss of relevant image information.     

紫外-可见光双通道拉曼光谱仪光学设计

紫外拉曼光谱技术具有高强度拉曼散射、无荧光干扰的特点;可见光拉曼光谱技术可实现低波数、高分辨率探测。为兼具两种激发波长的优势,设计了一款对称分布的双Czerny-Turner光路聚焦于一个探测器的双通道拉曼光谱仪。通过元器件的选型和初始结构的计算,在不增加多余元器件的情况下,对弧矢方向像散进行补偿,避免了像面上的能量损失。配合Zemax软件对双通道光谱分别进行建模优化,最终实现了对400~5000 cm^-1（266 nm激发）和50~3500 cm^-1（633 nm激发）两段光谱的同时探测。均方根半径、点列图和调制传递函数等评价指标有效验证了设计的合理性和可行性。结果表明,两套拉曼光谱仪分别可达8 cm^-1和5 cm^-1分辨率,本设计具有高分辨率、低波数、多波长激发、集成化等优势。     

使用二维视觉测头实现三维测量的方法研究

提出了探针扫描和深度聚焦的两种方法,实现了使用二维视觉测头对Z向的测量。两种方法均基于自动聚焦原理。对采集到的图像去噪和聚焦曲线平滑后,使用峰值附近点进行高斯函数拟合,寻找准焦点。根据得到的XYZ向的数据实现三维重构。与接触式测量相比,本文方法Z向测量的最大偏差不到6μm。     

基于DWT和PCA及LDA的人耳识别

根据主成分分析(PCA)和线性判别分析(LDA)在人耳识别过程中存在识别率不高的问题,提出一种基于离散小波变换(DWT)和PCA及LDA的人耳识别算法。将人耳图像进行二维DWT,选择包含图像大部分信息的低频子带,先利用PCA再利用LDA提取最优样本映射空间,最后利用最近邻法则进行人耳图像的分类。实验结果表明,该方法识别效果优于基于PCA及LDA的方法。     

Raman microscopy of freeze-dried mouse eyeball-slice in conjunction with the "in vivo cryotechnique"

The wavelength of Raman-scattered light depends on the molecular composition of the substance. This is the first attempt to acquire Raman spectra of a mouse eyeball removed from a living mouse, in which the eyeball was preserved using the "in vivo cryotechnique" followed by freeze-drying. Eyeballs were cryofixed using a rapid freezing cryotechnique, and then sliced in the cryostat machine. The slices were sandwiched between glass slides, freeze-dried, and analyzed with confocal Raman microscopy. Important areas including various eyeball tissue layers were selected using bright-field microscopy, and then the Raman spectra were obtained at 240 locations. Four typical patterns of Raman spectra were electronically mapped on the specimen images obtained by the bright-field microscopy. Tissue organization was confirmed by embedding the same eyeball slice used for Raman spectra into epoxy resin and the thick sections were prepared with the inverted capsule method. Each Raman spectral pattern represents a different histological layer in the eyeball which was mapped by comparing the images of toluidine blue staining and Raman mapping with different colors. In the choroid and pigment cell layer, the Raman spectrum had two peaks, corresponding to melanin. Some of the peaks of the Raman spectra obtained from the blood vessels in sclera and the photoreceptor layer were similar to those obtained from the purified hemoglobin and rhodopsin proteins, respectively. Our experimental protocol can distinguish different tissue components with Raman microscopy; therefore, this method can be very useful for examining the distribution of a biological structures and/or chemical components in rapidly frozen freeze-dried tissue.     

Digital smoothing of the Langmuir probe I-V characteristic

Electrostatic probes or Langmuir probes are the most common diagnostic tools in plasma discharges. The second derivative of the Langmuir probe I-V characteristic is proportional to the electron energy distribution function. Determining the second derivative accurately requires some method of noise suppression. We compare the Savitzky-Golay filter, the Gaussian filter, and polynomial fitting to the Blackman filter for digitally smoothing simulated and measured I-V characteristics. We find that the Blackman filter achieves the most smoothing with minimal distortion for noisy data.     

Identification and quantification of β-caryophyllene in copaiba oil using Raman spectroscopy

Copaiba oleoresin presents several compounds with known biologic activity and physiologic effects, including analgesic and insecticide properties. Among them are the terpenoids (mainly diterpenes and sesquiterpenes) with β-caryophyllene, the main representative of the terpenoids and considered to be a chemical marker. This study employed Raman spectroscopy and principal component analysis (PCA) techniques to identify and quantify the β-caryophyllene marker in copaiba oil samples purchased from popular markets in Brazil. A dispersive Raman spectrometer (830?nm, 250?mW, 2?cm^?1 spectral resolution) was used. Results showed the identification of the main Raman peaks from the β-caryophyllene in copaiba oil samples (main peaks at 507, 771, 1442, 1638, and 1673?cm^?1). The loading vector 2 (PC2) extracted the spectral information from β-caryophyllene in the samples and the eigenvalue 2 (score 2) allowed the estimation of the concentration of this marker in commercial samples, with the concentrations from 15 to 34%. Raman spectroscopy combined with PCA may be considered to be a potential analytical tool for the quality control of Copaifera oil samples by quantifying β-caryophyllene using its unique spectral information.     

Biochemical fingerprints of human papillomavirus infection and cervical dysplasia using cervical fluids: Spectral pattern investigation

The Pap smear is the primary screening tool for invasive cervical cancer resulting from a persistent infection with oncogenic human papillomavirus (HPV); however, there are the problems such as the inability to distinguish between HPV infection and cervical dysplasia and a low sensitivity remain. We present preliminary findings of a label‐free method to detect and classify HPV infection and cervical dysplasia using human cervical fluids. Three experimental groups, defined as normal, HPV‐positive, and cervical dysplasia, were evaluated through their Raman spectral patterns for noise‐independence, high reproducibility, and uniformity. Clinical diagnosis was performed through liquid‐based cervical cytology, HPV test, and cervical histologic examination. Healthy cervical fluids showed a strong Raman intensity at 877 cm^?1 (symmetric C–C stretching), and at 963 cm^?1 (phosphate), compared to a reference Raman peak at 1003 cm^?1 (phenylalanine symmetric ring breath). The HPV‐positive cervical fluids showed a strong intensity of a Raman peak at 1448 cm^?1 corresponding to C–H deformation vibration mode and the highest similarity between the central and ring zones among the three groups. The cervical dysplasia fluids showed the presence of strong peaks compared to the control and HPV‐positive groups. In addition, different Raman spectra were acquired according to HPV type. Therefore, all ranges of cervical fluid‐induced Raman spectra could be used to detect the presence of cervical pre‐cancer. Raman peak‐gated assessment provides a label‐free and nondestructive tool for the clinical diagnosis of HPV infection and cervical precancerous changes.     

Micro-Raman spectroscopy used to identify and grade human skin pilomatrixoma

Raman microspectroscopy was applied to analyze the changes in structural conformation and chemical composition of the mass of human skin pilomatrixoma (PMX). The normal skin dermis, collagen type I, and hydroxyapatite (HA) were used as control. The excised specimens from two patients diagnosed as a typical PMX were detected, in which one specimen was a soft mass, but the other was a hard mass with somewhat calcified deposits via histopathological examination. The Raman spectrum of normal skin dermis was found to be similar to the Raman spectrum of collagen type I, confirming that the collagen type I was a predominant component in normal skin dermis. The differences of Raman peak intensity between normal skin dermis and soft or hard PMX mass were obvious at 1,622-1,558, 1,400-1,230, 1,128, 1,000-850, 749, and 509 cm(-1). In particular, the peak at 1,665 cm(-1) assigned to amide I band shifted to 1,655 cm(-1) and the peak at 1,246 cm(-1) corresponding to amide III band was reduced in its intensity in hard PMX mass. The significant changes in collagen content and its structural conformation, the higher content of tryptophan, and disulfide formation in PMX masses were markedly evidenced. In addition, the shoulder and weak peak at 960 cm(-1) assigned to the stretching vibration of PO(4) (3-) of HA also appeared respectively in the Raman spectra of soft and hard PMX masses, suggesting the occurrence of calcification of HA in the PMX tissue, particularly in the hard PMX mass. The result indicates that the micro-Raman spectroscopy may provide a highly sensitive and specific method for identifying normal skin dermis and how it differs in chemical composition from different PMX tissues.     

基于多项式拟合的脉冲红外热像无损检测数据处理方法

为了提高红外热像无损检测（TNDT）中图像的缺陷对比度,从而提高TNDT的缺陷探测能力,研究了基于多项式拟合的脉冲TNDT数据处理方法。文中介绍了多项式拟合法的基本原理;用该方法对试验中采集的红外热像序列进行了处理;以信噪比为评价指标对处理效果进行了定量评定。结果表明,多项式拟合法否仅消除了脉冲TNDT中的加热不均效应,而且使图像的缺陷对比度得到了不同程度的提高,使图像的质量得到了较大改善。因此多项式拟合法是一种有效的脉冲TNDT数据处理方法。     

Analysis of 2-Benzo[c]cinnoline Nanofilm at the Gold Surface

Abstract

A polycrystalline gold surface was modified with 2-benzo[c]cinnoline (BCC) in nonaqueous media using cyclic voltammetry. A multilayer BCC nanofilm at the gold surface was formed by the electrochemical reduction of 2-benzo[c]cinnoline diazonium salt (BCC-DAS). Grafting of BCC molecules onto the gold surface was verified by cyclic voltammetry using various redox probes, electrochemical impedance spectroscopy, and Raman spectroscopy. The BCC film thickness was measured by ellipsometry and calculated as 46 nm indicating a multilayer film formation. The stability and the potential range of the novel Au-BCC modified electrode were also studied in open atmosphere and pure water. The working potential range of Au-BCC electrode was found to be between ?1.8 and +1.6 V.     

USE OF DISPERSIVE RAMAN SPECTROSCOPY IN THE DETERMINATION OF UNSATURATED FAT IN COMMERCIAL EDIBLE OIL- AND FAT-CONTAINING INDUSTRIALIZED FOODS

The present study aims at the use of Raman spectroscopy in the quantification of unsaturated fats in fat-containing foods, compared to the information available in the Nutritional Table, to obtain a non-destructive optical quantification of unsaturation. Raman spectra of edible oil, margarine, mayonnaise, hydrogenated fat, and butter were obtained with a near-infrared Raman spectrometer (830 nm). By analyzing selected bands in the regions of 1750, 1660, 1440, 1300, and 1260 cm^?1, the amount of total and unsaturated fat of samples of oil, margarine, and mayonnaise were correlated with the information displayed in the Nutritional Table. The amount of unsaturated trans fat in selected samples was correlated to the Raman shift of 1660 cm^?1. Dispersive Raman spectroscopy was shown to be effective in quantifying the unsaturated fats in oil, margarine, and mayonnaise, and trans fat in hydrogenated oils and butter.     

Quantification of the Ti oxidation state in BaTi1−xNbxO3 compounds

The Ti oxidation state of a series mixed-valence BaTi_1−xNb_xO₃ compound (where x=0.002, 0.004, 0.02, 0.10, 0.20 and 0.50) is investigated using high resolution electron energy loss spectroscopy (EELS). The energy loss near edge structure (ELNES) of the Ti-L_2,3 and O-K edges was recorded with high energy resolution. The fraction of Ti⁴⁺ and Ti³⁺ components is determined in each compound by linear profile fitting with Ti⁴⁺ and Ti³⁺ standard spectra obtained from reference compounds within the series. The fitting results indicate an increase in the fraction of the Ti³⁺ component as the Nb content increases. A deviation from the expected Ti³⁺ valence fraction based on the charge balance across the series was detected and discussed. By considering all detailed features on the spectra obtained with high energy resolution, this linear fitting method can be used to determine the oxidation state of transition metal oxides, especially for the early transition metals where conventional methods based on the L_2,3 edge ratio have shown to fail. The potential of this method to provide insight to mixed valence systems, vacancies and properties of oxides is discussed.     

Label‐free identification of antibiotic resistant isolates of living Escherichia coli: Pilot study

We introduce a label‐free spectroscopic method to classify subtypes of quinolone‐nonsusceptible Escherichia coli (E. coli ) isolates obtained from human blood cultures. Raman spectroscopy with a 30‐nm gold‐deposited, surface‐enhanced Raman scattering (SERS) substrate was used to evaluate three multilocus sequencing typing (MLST)‐predefined groups including E . coli ATCC25922, E . coli ST131:O75, and E . coli ST1193:O25b. Although there was a coffee‐ring effect, the ring zone was selected at the ideal position to screen E. coli isolates. Strong Raman peaks were present at 1001–1004 cm^?1 (C? C aromatic ring breathing stretching vibrational mode of phenylalanine), 1447–1448 cm^?1 (C? H₂ scissoring deformation vibrational mode), and 1667 cm^?1 (amide I α‐helix). Although the three MLST‐predefined E . coli isolates had similar Raman spectral patterns, a support vector machine (SVM) learning algorithm‐assisted principal component analysis (PCA) analysis had superior performance in detecting the presence of quinolone‐nonsusceptible E. coli isolates as well as classifying similar microbes, such as quinolone‐nonsusceptible E . coli ST131:O75 and E . coli ST1193:O25b isolates. Therefore, this label‐free and nondestructive technique is likely to be useful for clinically diagnosing quinolone‐nonsusceptible E. coli isolates with the MLST method.