Identifying camellia oil adulteration with selected vegetable oils by characteristic near-infrared spectral regions

In this paper,a methodology based on characteristic spectral bands of near infrared spectroscopy(1000-2500 nm)and multivariate analysis was proposed to identify camellia oil adulteration withvegetable oils,Sunflower,peanut and corn oils were selected to conduct the test.Pure camlia oiland that adulterated with varying concentrations(1-10%with the gradient of 1%,10-40%withthe gradient of 5%,40-100%with the gradient of 10%)of each type of the three vegetable oilswere prepared,respectively.For each type of adulterated oil,full-spectrum partial least squarespartial least squares(PLS)models and synergy interval partial least squares(SI-PLS)modelswere developed.Parameters of these models were optimized simultaneously by cross-validation,The SI-PLS models were proved to be better than the full-spectrum PLS models.In SI-PLSmodels,the correlation coefficients of predition set(Rp)were 0.9992,0.9998 and 0.9999 foradulteration with sunflower oil,peanut oiloil seperately;the corresponding root meansquare errors of prediction set(RMSEP).66nd 0.37.Furthermore,a new genericPLS model was built based on the chalselected from the intervals of thethree SI-PLS models to identify the oil adulterantsardless of the adultrated oil types.Themodel achieved with Rp=0.9988 and RMSEP==1.52,These results indicated that the charac-teristic near infrared spectral regions could determine the level of adulteration in the camllia oil.

Detection of illegally added drugs in dietary supplements by near-infrared spectral imaging

The application to detect ilally added drugs in dietary supplerments by near-infrared spectral imaging was studied with the focus on nifedipine,diclofenac and metformin.The method is based on near-infrared spectral images correlation cofficient to detect ilally added drugs.The results comply 100%with HPLC methods test results with no false positive results.

Influence of signal-to-noise ratio on accuracy of spectral analysis by near infrared spectroscopy

As one of the important indicators of spectrometer,signal-to-noise ratio(SNR)reflects the ability of spectrometer to detect weak signals.To investigate the influence of SNR on the prediction accuracy of spectral analysis,we first introduce the major factors affecting the spectral SNR.Taking green tea as an example,the influence of spectral SNR on the prediction accuracy of the origin identification model is analyzed by experiments.At the same time,the relationship between the spectral SNR and prediction accuracy of spectral analysis model is fitted.Based on this,the common methods for improving the spectral SNR are discussed.The results show that the accuracy of the prediction set model first decreases slowly,then decreases linearly,and finally tends to be flat as the spectral SNR decreases.Through calculation,in order to achieve the prediction accuracy of prediction model reaching 90%and 85%,the spectral SNR is required to be higher than 23.42 dB and 21.16 dB,respectively.The overall results provide certain parameters support for the development of new online analytical spectroscopic instruments,especially for the technical indicators of SNR.

Mid-to-Far Infrared Spectral Energy Distribution of Galaxies in the Spitzer First Look Survey Field

We made model fitting to the mid-to-far infrared spectral energy distributions （SEDs） for different categories of galaxies in the main extragalactic field of the Spitzer First Look Survey with the aid of spectroscopic information from the Sloan Digital Sky Survey. We find that the mid-to-far infrared SEDs of HII galaxies, mixture type galaxies and LINERs can be well fitted by the one-parameter （α） dust model of Dale et al. plus the 13 Gyr dust-free elliptical galaxy model. The statistics of α values indicates that all these galaxies tend to be quiescent, although the HII galaxies are relatively more active than the LINERs. The midinfrared SEDs of absorption galaxies are well fitted simply by the 13 Gyr dust-free elliptical galaxy template, and the near-to-mid infrared SEDs of QSOs can be represented by AGN NGC 5506.

Spectral Correction Method of Multi-Channels Near-Infrared Spectrometer and Applications

Near-infrared (NIR) spectrometer based on semiconductor lasers can combine light source and splitter into one, which is an important direction for development of miniature instruments. In order to avoid random interference caused by inconsistency between light sources, the novel evaluation indicators for global stability of multi-channels spectral system were proposed based on the correlation between dynamic deviation spectra of any two channels. The NIR analysis of moisture for corn powder samples based on the partial least squares combined with Savitzky-Golay (SG) smoothing was taken as an example, and a spectral correction method for enhancing prediction performance of multi-channels spectral system was further provided using above evaluation indicators. The experiment results showed that the global stability evaluation indicators significantly increased after SG smoothing correction. Meanwhile, the root-mean-square errors of prediction for corn moisture reduced from 0.373 to 0.283 (%), and the correlation coefficient between predicted and actual values was improved from 0.702 to 0.855. The above results indicated that by improving global stability indicators, the prediction ability of multi-channels spectral system can be improved. The proposed method provided a valuable reference for designing multi-channels diminutive spectrometer with high prediction performance, which had significance for large-scale application of NIR technology.

基于可见光-近红外高光谱信息与数据融合的木质化鸡胸肉的判别模型构建

木质化鸡胸肉(wooden breast,WB)制约肉鸡行业发展,传统触诊检测方法耗时且效率低,为提升高光谱成像(hyperspectral imaging,HSI)技术检测鸡胸肉木质化程度的效果,本论文以白羽鸡鸡胸肉为研究对象,将其划分4个木质化等级,采集其在400~1000和1000~2000 nm内的HSI信息,通过不同光谱预处理算法和特征波段筛选方法,建立基于全波段、特征波段和HSI数据融合的偏最小二乘判别分析(Partial least squares-discriminant analysis,PLS-DA)模型和支持向量机(Support vector machine,SVM)模型。结果显示,SVM模型比PLSDA模型更适于判别鸡胸肉木质化程度,基于1000~2000 nm内全波段和特征波段的最佳模型预测集总体正确率均高于400~1000 nm内的模型,基于两波段HSI数据融合的木质化判别模型优于基于单一波段(包括全波段和特征波段)的模型,最佳模型预测集总体正确率为96.7%,能较好地区分出4个木质化等级,且对4个等级的判别准确率均可达90%以上。研究结果为HSI实现木质化鸡胸肉的准确无损检测提供技术支持。

Use of Fourier-transform infrared spectroscopy to rapidly diagnose gastric endoscopic biopsies

AIM: To determine if Fourier-transform infrared (FT-IR)spectroscopy of endoscopic biopsies could accurately diagnose gastritis and malignancy.METHODS: A total of 123 gastroscopic samples, including 11 cases of cancerous tissues, 63 cases of chronic atrophic gastritis tissues, 47 cases of chronic superficial gastritis tissues and 2 cases of normal tissues, were obtained from the First Hospital of Xi'an Jiaotong University, China. A modified attenuated total reflectance (ATR) accessory was linked to a WQD-500 FT-IR spectrometer for spectral measurement followed by submission of the samples for pathologic analysis. The spectral characteristics for different types of gastroscopic tissues were summarized and correlated with the corresponding pathologic results.RESULTS: Distinct differences were observed in the FTIR spectra of normal, atrophic gastritis, superficial gastritis and malignant gastric tissues. The sensitivity of FT-IR for detection of gastric cancer, chronic atrophic gastritis and superficial gastritis was 90.9%, 82.5%, 91.5%, and specificity was 97.3%, 91.7%, 89.5% respectively.CONCLUSION: FT-IR spectroscopy can distinguish gastric inflammation from malignancy.

Electronic structure and infrared spectrum of a W_n C^(0,±) (n = 1-6) cluster

WnC0＇± （n= 1-6） clusters are investigated by using the density functional theory （DFT） at the B3LYP/LANL2DZ level. We find that the neutral, anionic and cationic ground state structures are similar within the same size, and constituted by substituting a C atom for one W atom in the structures of Wn＋1 clusters. The natural bond orbital （NBO） charge analyses indicate that the direction of electron transfer is from the W atom to the 2p orbital of the C atom. In addition, the calculated infrared spectra of the WnC0＇± （n= 2-6） clusters manifest that the vibrational frequencies of neutral, anionic and cationic clusters are similar in a range of 80 cm-1-864 cm-1. The high frequency, strong peak modes are found to be an almost stretched deformation of the carbide atom. Finally, the polarizabilities of WnC0＇± （n= 1-6） clusters are also discussed.

Simulation of near-infrared photodiode detectors based on β-FeSi_2/4H-SiC heterojunctions

In this paper,we propose a near-infrared p-type β-FeSi2/n-type 4H-SiC heterojunction photodetector with semiconducting silicide（β-FeSi2） as the active region for the first time.The optoelectronic characteristics of the photodetector are simulated using a commercial simulator at room temperature.The results show that the photodetector has a good rectifying character and a good response to near-infrared light.Interface states should be minimized to obtain a lower reverse leakage current.The response spectrum of the β-FeSi2/4H-SiC detector,which consists of a p-type β-FeSi2 absorption layer with a doping concentration of 1×1015cm-3 and a thickness of 2.5 μm,has a peak of 755 mA/W at 1.42 μm.The illumination of the SiC side obtains a higher responsivity than that of the β-FeSi2 side.The results illustrate that the β-FeSi2/4H-SiC heterojunction can be used as a near-infrared photodetector compatible with near-infrared optically-activated SiC-based power switching devices.

Impact of Atmospheric Transmittance and NLTE Correction on Simulation of High Spectral Infrared Atmospheric Sounder onboard FY-3E

With the launch of the first civilian early-morning orbit satellite Fengyun-3E(FY-3E),higher demands are placed on the accuracy of radiative transfer simulations for hyperspectral infrared data.Therefore,several key issues are investigated in the paper.First,the accuracy of the fast atmospheric transmittance model implemented in the Advanced Research and Modeling System(ARMS)has been evaluated with both the line-by-line radiative transfer model(LBLRTM)and the actual satellite observations.The results indicate that the biases are generally less than 0.25 K when compared to the LBLRTM,while below 1.0 K for the majority of the channels when compared to the observations.However,during both comparisons,significant biases are observed in certain channels.The accuracy of Hyperspectral Infrared Atmospheric Sounder-II(HIRAS-II)onboard FY-3E is comparable to,and even superior to that of the Cross-track Infrared Sounder(CrIS)onboard NOAA-20.Furthermore,apodization is a crucial step in the processing of hyperspectral data in that the apodization function is utilized as the instrument channel spectral response function to produce the satellite channel-averaged transmittance.To further explore the difference between the apodized and unapodized simulations,Sinc function is adopted in the fast transmittance model.It is found that the use of Sinc function can make the simulations fit the original satellite observations better.When simulating with apodized observations,the use of Sinc function exhibits larger deviations compared to the Hamming function.Moreover,a correction module is applied to minimize the impact of Non-Local Thermodynamic Equilibrium(NLTE)in the shortwave infrared band.It is verified that the implementation of the NLTE correction model leads to a significant reduction in the bias between the simulation and observation for this band.

Global Optimization of Norris Derivative Filtering with Application for Near-Infrared Analysis of Serum Urea Nitrogen

Near-infrared (NIR) spectroscopy combined with chemometrics methods was applied to the rapid and reagent-free analysis of serum urea nitrogen (SUN). The mul-partitions modeling was performed to achieve parameter stability. A large-scale parameter cyclic and global optimization platform for Norris derivative filter (NDF) of three parameters (the derivative order: d, the number of smoothing points: s and the number of differential gaps: g) was developed with PLS regression. Meantime, the parameters’ adaptive analysis of NDF algorithm was also given, and achieved a significantly better modeling effect than one without spectral pre-processing. After eliminating the interference wavebands of saturated absorption, the modeling performance was further improved. In validation, the root mean square error (SEP), correlation coefficient (RP) for prediction and the ratio of performance to deviation (RPD) were 1.66 mmol?L-1, 0.966 and 4.7, respectively. The results showed that the high-precision analysis of SUN was feasibility based on NIR spectroscopy and Norris-PLS. The global optimization method of NDF is also expected to be applied to other analysis objects.

Tracing overlapping biological signals in mid-infrared using colonic tissues as a model system

AIMTo understand the interference of carbohydrates absorbance in nucleic acids signals during diagnosis of malignancy using Fourier transform infrared (FTIR) spectroscopy.METHODSWe used formalin fixed paraffin embedded colonic tissues to obtain infrared (IR) spectra in the mid IR region using a bruker II IR microscope with a facility for varying the measurement area by varying the aperture available. Following this procedure we could measure different regions of the crypt circles containing different biochemicals. Crypts from 18 patients were measured. Circular crypts with a maximum diameter of 120 μm and a lumen of about 30 μm were selected for uniformity. The spectral data was analyzed using conventional and advanced computational methods.RESULTSAmong the various components that are observed to contribute to the diagnostic capabilities of FTIR, the carbohydrates and nucleic acids are prominent. However there are intrinsic difficulties in the diagnostic capabilities due to the overlap of major absorbance bands of nucleic acids, carbohydrates and phospholipids in the mid-IR region. The result demonstrates colonic tissues as a biological system suitable for studying interference of carbohydrates and nucleic acids under ex vivo conditions. Among the diagnostic parameters that are affected by the absorbance from nucleic acids is the RNA/DNA ratio, dependent on absorbance at 1121 cm-1 and 1020 cm-1 that is used to classify the normal and cancerous tissues especially during FTIR based diagnosis of colonic malignancies. The signals of the nucleic acids and the ratio (RNA/DNA) are likely increased due to disappearance of interfering components like carbohydrates and phosphates along with an increase in amount of RNA.CONCLUSIONThe present work, proposes one mechanism for the observed changes in the nucleic acid absorbance in mid-IR during disease progression (carcinogenesis).

Theoretical Simulation of the Infrared Absorption Spectrum of the Strong Hydrogen and Deuterium Bond in 2-Pyridone Dimer

This work presents a theoretical simulation of the infrared spectra of strong hydrogen bond in alpha-phase 2-pyridone dimers, as well as in their deuterium derivatives at room temperature. The theory takes into account an adiabatic anharmonic coupling between the high-frequency N-H(D) stretching and the low-frequency intermolecular N...O stretching modes by considering that the effective angular frequency of the fast mode N-H(D) is assumed to be strongly dependent on the slow mode stretching coordinate N...O, the intrinsic anharmonicity of the low-frequency N...O mode through a Morse potential, Davydov coupling triggered by resonance exchange between the excited states of the fast modes of the two hydrogen bonds involved in the cyclic dimer, multiple Fermi resonances between the N-H(D) stretching and the overtone of the N-H(D) bending vibrations and the direct and indirect damping of the fast stretching modes of the hydrogen bonds and of the bending modes. The IR spectral density is computed within the linear response theory by Fourier transform of the autocorrelation function of the transition dipole moment operator of the N-H(D) bond. The theoretical line shapes of the υN-H(D) band of alpha-phase 2-pyridone dimers are compared to the experimental ones. The effect of deuteration is successfully reproduced.

Interpreting the Shortwave Infrared &Thermal Infrared Regions of Remote Sensed Electromagnetic Spectrum with Application for Mineral-Deposits Exploration

The ASTER (Advanced Space-borne Thermal Emission and Reflection radiometer) data, including all the 3 parts: VNIR (Visible and Near-Infrared), SWIR (Short Wave Infrared), TIR (Thermal Infrared), were applied for extraction of mineral deposits, such as the Ni-Cu deposit in eastern Tianshan, the gypsum in western Tianshan, and the borax in Tibetan. This paper discusses the extraction methodology using the ASTER remote sensing data and reveals the good extraction results. This paper bravely represents the summary of the main achievement for this field by the scientists in other countries and gives a comparison with the works by others. The new achievements, described in this paper, comprise the extraction of anomalies for Ni-Cu deposit, gypsum, and borax.

颗粒度对喀斯特型铝土矿可见光-近红外光谱特征的影响

岩矿反射光谱是智能矿山岩矿智能感知技术以及遥感信息识别的重要参考依据,由于地物表面粗糙度对反射光谱的影响取决于粗糙高度值与波长关系对电磁波传播的影响,因此颗粒度是影响岩石和矿物反射光谱特征的重要因素之一。喀斯特型铝土矿在中国分布广泛,目前有关铝土矿的反射光谱基础数据还非常匮乏。为了探究颗粒度对喀斯特型铝土矿反射光谱的影响规律,本文选取贵州省修文县小山坝喀斯特型铝土矿为研究对象,采用地物光谱仪测试不同颗粒度铝土矿(铝土岩)样品的可见光-近红外反射光谱,并结合铝土矿(铝土岩)主量元素和矿物组成分析讨论铝土矿与铝土岩的光谱差异。结果表明:小山坝铝土矿(铝土岩)由于矿物组成的不同而呈现显著不同的光谱特征,其中铝土矿的反射光谱特征主要与一水硬铝石一致,在1400nm和1800nm波长处有明显的波谷特征,由OH振动谱带所致;铝土岩的反射光谱特征主要与高岭石一致,在1400nm、1900nm、2160nm和2200nm波长处有显著的波谷特征,分别由OH倍频合频、H_(2)O的振动谱带以及Al-OH基团拉伸和弯曲振动的合频所致,且在2160~2200nm波段呈双吸收峰特征。此外,不同颗粒度铝土矿(铝土岩)的整体反射率均较高,最高超过28%,且变化趋势基本相同。随着颗粒度从<0.04mm增加到3mm,铝土矿和铝土岩的反射率均逐渐减小,且铝土矿特征波谷的整体吸收强度相对稳定,而铝土岩特征波谷的吸收强度呈逐渐增大的趋势。本文研究认为可采用小颗粒度的粉末样品在1800nm、1900nm、2160nm和2200nm波长处的特征光谱进行铝土矿和铝土岩的区分。

Near-infrared observations of the Be/X-ray binary pulsar A0535+262

We present the results obtained from extensive near-infrared （IR） spectro- scopic and photometric observations of the Be/X-ray binary A0535＋262/HDE 245770 at different phases of its - 111 d orbital period. This observation campaign is part of the monitoring program of selective Be/X-ray binary systems aimed at understanding X-ray and near-IR properties at different orbital phases, especially during the perias- tron passage of the neutron star. The near-IR observations presented here were carried out using the 1.2 m telescope at the Mt. Abu IR Observatory. Though the source was relatively faint for spectroscopic observations with the 1.2 m telescope, we monitored the source closely during the 2011 February-March giant X-ray outburst to primarily investigate whether any drastic changes in the near-IR JHK spectra took place at the periastron passage. Changes of such a striking nature were expected to be detectable in our spectra. Photometric observations of the Be star show a gradual and systematic fading in the JHK light curves since the onset of the X-ray outburst, which could suggest a mild evacuation/truncation of the circumstellar disk of the Be companion. Near-IR spectroscopy of the object shows that the JHK spectra are dominated by the emission lines of hydrogen Brackett and Paschen series and HeI lines at 1.0830, 1.7002 and 2.0585 μm. The presence of all the hydrogen emission lines in the JHK spectra, along with the absence of any significant change in the continuum of the Be companion during X-ray quiescent and X-ray outburst phases, suggests that the near- IR line emitting regions of the disk are not significantly affected during the X-ray outburst.

IRAS F21013-0739:a possible evolutionary successor of an ultraluminous infrared galaxy

We present a stellar population synthesis study of a type II luminous infrared galaxy, IRAS F21013-0739. Optical images show clear characteristics of a merger remnant. The H-band absolute magnitude is MH = -25.1, which is -2 times as luminous as L＊ galaxies. Stellar populations are obtained through the stellar synthesis code STARLIGHT. We find that it experienced a recent starburst （SB） phase - 100 Myr ago. By reconstructing the ultraviolet-to-optical spectrum, and adopting Calzetti et al. and Leitherer et al.＇s extinction curves, we estimate the past infrared （IR） luminosities of the host galaxy and find it may have experienced an ultraluminous infrared galaxy phase which lasted for about 100 Myr. Its i-band absolute magnitude is Mi = -22.463, and its spectral type shows type 2 active galactic nucleus （AGN） characteristics. The mass of the supermassive black-hole is estimated to be MBH = 1.6 × 107 M⊙ （lower- limit）. The Eddington ratio Lbol/LEdd is 0.15, which is typical of Palomar-Green （PG） quasars. Both the nuclear SB and AGN contribute to the present IR luminosity budget, and the SB contributes -67%. On the diagram of IR color versus IR/opfical excess, it is located between IR quasars and PG quasars. These results indicate that IRAS F21013-0739 has probably evolved from a ULIRG, and it can possibly evolve into an AGN.

Infrared spectral evolution of carbon stars

We collected almost all Highly Processed Data Products （HPDP） of ISO SWS01 spectra for the Galactic visual carbon stars,infrared carbon stars,extreme carbon stars and carbon-rich proto-planetary nebulae （PPNs）.Those infrared spectra are primarily analyzed and discussed.It is shown that either spectral shapes/peaks,or main molecular/dust features are evidenced to change in the sequence of visual carbon stars,infrared carbon stars,extreme carbon stars and carbon-rich PPNs.Statistically,in this sequence,continua are gradually changed from blue to red and locations of spectral peaks of continua are also gradually changed from short wavelengths to long wavelengths.In addition,in this sequence,intensities of main molecular/dust features are also gradually changed from prominent in the short wavelengths to prominent in the long wavelengths.Furthermore,from 2MASS and IRAS photometric data,the sequence is also proved.Results in this paper strongly support the previous suggestion for the evolution sequence of carbon-rich objects in our Galaxy,that is the sequence of visual carbon stars → infrared carbon stars → extreme carbon stars → carbon-rich PPNs.

Radio Identifications of Markarian Galaxies and the Correlation between Radio and Far-Infrared Properties

By checking DSS optical images and NVSS radio images, 782 Markarian galaxies were identified to be NVSS radio sources. A comparison of the radio luminosity at 1.4GHz and the far-infrared （FIR） luminosity for 468 “normal” galaxies shows a tight correlation. Most of the Seyfert galaxies and quasars follow the radio-FIR relation deduced from the “normal” galaxy sample, but with a somewhat larger scatter. A total 167 Markarian galaxies, comprising 100 “normal” galaxies, 66 Seyfert galaxies and one quasar, have either excess radio emission or much lower FIR spectral index α（25 μm, 60 μm）. These galaxies may be classified as “AGN-powered”. For “normal” galaxies, the average q value （defined as the log ratio between FIR and radio luminosities） is 2.3. There seems a trend for q to slightly decrease with increasing radio luminosity. This may imply that the ongoing active star formation in galaxies with higher radio luminosities is more efficient in heating the cosmic-ray electrons.

基于1D-CNN的土壤全氮近红外光谱预测模型

于江苏无锡采集410个土壤样品测定土壤全氮含量,并在室内进行土壤样品光谱检测,用均值中心化、标准正态变换和趋势校正对光谱进行预处理,再运用偏最小二乘回归(PLS)、反向传播(BP)神经网络和一维卷积神经网络(1D-CNN)方法建立土壤全氮含量的回归预测模型。同时,每种模型在采用不同预处理方法的数据集上做十折交叉验证,记录预测模型的决定系数(R^(2))和均方根误差(RMSE)的平均值,对比3种预处理方法对模型精度的影响。结果表明:本研究基于土壤近红外光谱数据构建的1D-CNN模型预测土壤全氮含量结果可靠。使用原始数据与经均值中心化、标准正态变换、趋势校正预处理的数据训练得到的1D-CNN模型的R^(2)分别为0.907、0.931、0.922、0.964,而PLS模型R^(2)分别为0.856、0.863、0.861、0.880,BP神经网络模型的R^(2)分别为0.874、0.907、0.901、0.911。1D-CNN模型在原始数据和经预处理的光谱数据上的表现均优于PLS和BP神经网络模型,对光谱数据进行预处理能够有效提高1D-CNN模型的性能,尤其是趋势校正对模型的提升效果最明显。因此,1D-CNN能更好地提取光谱特征并建立其与含氮量的映射关系,有效地避免过拟合,在未经过预处理的光谱数据上依然能够达到一定的精度。