• Title/Summary/Keyword: near-infrared spectroscopic analysis

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Analysis Methods of Visible and Near-Infrared (VNIR) Spectrum Data in Space Exploration (우주탐사에서의 가시광-근적외선 분광 자료 분석 기법)

  • Eung Seok Yi;Kyeong Ja Kim;Ik-Seon Hong;Suyeon Kim
    • Journal of Space Technology and Applications
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    • v.3 no.2
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    • pp.154-164
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    • 2023
  • In space exploration, spectroscopic observation is useful for understanding objects' composition and physical properties. There are various methods for analyzing spectral data, and there are differences depending on the object and the wavelength. This paper introduces a method for analyzing visible & nearinfrared (VNIR) spectral data, which is mainly applied in lunar exploration. The main analysis methods include false color ratio image processing, reflectance pattern analysis, integrated band depth (IBD) processing, and continuum removal as preprocessing before analysis. These spectroscopic analysis methods help to understand the mineral properties of the lunar surface in the VNIR region and can be applied to other celestial bodies such as Mars.

Classification of Red Wines by Near Infrared Transflectance Spectroscopy

  • W.Guggenbichler;Huck, C.W.;M.Popp;G.K.Bonn
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1516-1516
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    • 2001
  • During the recent years, wine analysis has played an increasing role due the health benefits of phenolic ingredients in red wine [1]. On the other hand there is the need to be able to distinguish between different wine varieties. Consumers want to know if a wine is an adulterated one or if it is based on the pure grape. Producers need to certificate their wines in order to ensure compliance with legal regulations. Up to now, the attempts to investigate the origin of wines were based on high-performance liquid chromatography (HPLC), gas chromatography (GC) and pyrolysis mass spectrometry (PMS) [l,2,3]. These methods need sample pretreatment, long analysis times and therefore lack of high sample throughput. In contradiction to these techniques using near infrared spectroscopy (NIRS), no sample pretreatment is necessary and the analysis time for one sample is only about 10 seconds. Hence, a near infrared spectroscopic method is presented that allows a fast classification of wine varieties in bottled red wines. For this, the spectra of 50 bottles of Cabernet Sauvignon, Lagrein and Sangiovese (Chianti) were recorded without any sample pretreatment over a wavelength range from 1000 to 2500 nm with a resolution of 12 cm$\^$-1/. 10 scans were used for an average spectrum. In order to yield best reproducibility, wines were thermostated at 23$^{\circ}C$ and a optical layer thickness of 3 mm was used. All recorded spectra were partitioned into a calibration and validation set (70% and 30%). Finally, a 3d scatter plot of the different investigated varieties allowed to distinguish between Cabernet Sauvignon, Lagrein and Sangiovese (Chianti). Considering the short analysis times this NRS-method will be an interesting tool for the quality control of wine verification and also for experienced sommeliers.

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Simultaneous Determination of Polycyclic Aromatic Hydrocarbons by Near Infrared Spectroscopy using a Partial Least Squares Regression

  • Nam, Jae-Jak;Lee, Sang-Hak;Park, Ju-Eun
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1276-1276
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    • 2001
  • Polycyclic aromatic hydrocarbons(PAHs) are widely distributed in the environment and are often implicated as potential carcinogens. The chromatographic methods of detection and quantitative determination of PAHs in environmental samples are costly, time consuming, and do not account for all kinds of PAHs. This work describes a quantitative spectroscopic method for the analysis of mixtures of eight PAHs using multivariate calibration models for Fourier transform near infrared(FT-NIR) spectral data. The NIR spectra of mixtures of PAHs (anthracene, pyrene, 1,2-benzanthracene, perylene, chrysene, benzo(a)pyrene, 1-methylanthracene and benzo(ghi)perylene) were measured in the wavelength range from 1100 nm to 2500 nm. The spectral data were processed using a partial least squares regression. We have studied the spectral characteristics of NIR spectra of mixtures of PAHs. It was possible to determine each PAM used in this study at the environmental level(mg L-1) in the laboratory samples. Further development may lead to the rapid determination of more PAHs in typical environmental samples.

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Application Study of Chemoinfometrical Near-Infrared Spectroscopic Method to Evaluate for Polymorphic Content of Pharmaceutical Powders (일본의 근적외선분광법에 대한 제약회사 응용 및 현황)

  • Otsuka, Makoto
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2002.11a
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    • pp.97-117
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    • 2002
  • A chemoinfometrical method for quantitative determination of crystal content of indomethacin (IMC) polymorphs based on fourie-transformed near-infrared (FT-NIR) spectroscopy was established. A direct comparison of the data with the ones collected from using the conventional powder X-ray diffraction method was performed. Pure $\alpha$ and ${\gamma}$ forms of IMC were prepared using published methods. Powder X-ray diffraction profiles and NIR spectra were recorded for six kinds of standard materials with various content of ${\gamma}$ form IMC. The principal component regression (PCR) analyses were performed based on normalized NIR spectra sets of standard samples of known content of IMC ${\gamma}$ form. A calibration equation was determined to minimize the root mean square error of the prediction. The predicted ${\gamma}$ form content values were reproducible and had a relatively small standard deviation. The values of ${\gamma}$ form content predicted by two methods were in close agreement. The results were indicated that NIR spectroscopy provides for an accurate quantitative analysis of crystallinity in polymorphs compared with the results obtained by conventional powder X-ray diffractometry.

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SWIR Application for the Identification of High-Grade Limestones from the Upper Pungchon Formation (풍촌층 상부 층준의 고품위 석회석 동정을 위한 SWIR 적용)

  • Kim, Yong-Hwi;Kim, Gyoo Bo;Choi, Seon-Gyu;Kim, Chang Seong
    • Economic and Environmental Geology
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    • v.49 no.5
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    • pp.335-347
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    • 2016
  • The mineralogical and geochemical characteristics of diverse carbonate rocks can be investigated by using VNIRSWIR(visible near infrared-short wavelength infrared) spectroscopic analysis as a rapid, nondestructive, and inexpensive tool. Comparing whole rock analysis to VNIR-SWIR spectroscopic analysis, the analytical method was investigated to estimate CaO contents, mud impurity, and whiteness of carbonate rocks involved in high-grade limestones in the field. We classify typical carbonate rocks in the upper Pungchon Formation in high-grade limestone mine area such as the Gangweon, Chungmu and Baegun mine in the Jeongseon area. The results show that powdered specimen has much higher reflectance than cutted specimen between the same sample. Whiteness is highly correlated with reflectance(0.99) for powdered specimen. The absorption of mineral mixtures shifts in position as a result of the mass ratio of calcite and dolomite in the Chungmu mine by changing to 75:25, 50:50, and 25:75. The absorption peak position in carbonate mixtures is highly correlated with CaO contents(0.98~0.99). Based on color system, the carbonate rocks are grouped into (milky) white, light grey, light brown, grey, and dark grey. The absorption peak position shifts from 2340 nm to 2320 nm as CaO contents decrease from 55.86 wt.% to 29.71 wt.%. We confirmed that absorption peak position shifts depending on the amount of Ca, which is bonded to $CO{_3}^{-2}$, Mg, and Fe contents replacing Ca. This result suggests that CaO contents in carbonate rocks can be considered to quantitative analysis in the field by spectroscopic analysis.

Spectroscopic Analysis of Alkylbenzenes as Synthetic Lubricant Base Oils (합성 윤활기유로서의 알킬벤젠의 분광분석)

  • Choi, Ju-Hwan;Jeong, Hyuk;Kim, Hai-Dong
    • Analytical Science and Technology
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    • v.10 no.2
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    • pp.139-145
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    • 1997
  • Alkylbenzenes used as synthetic lubricant base oils have been analyzed to find the quantity of mono- and di-substituted alkyl aromatic hydrocarbon compositions and the number of carbon atoms in alkyl chains by $^{13}C$-NMR, near-infrared, and UV-Vis spectroscopy. Also, linear long chain alkylated benzene in the engine lubricants was analyzed quantitatively by infrared spectroscopy.

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Prediction of Soluble Solid and Firmness in Apple by Visible/Near-Infrared Spectroscopy (가시광선/근적외선 분광분석법을 이용한 사과의 당도 및 경도 측정)

  • 최창현;이강진;박보순
    • Journal of Biosystems Engineering
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    • v.22 no.2
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    • pp.256-265
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    • 1997
  • The objectives of this study were to examine the ability to predict soluble solid and firmness in intact apples based on the visible/near-infrared spectroscopic technique. Two cultivars of apples, Delicious and Gala, were handled, tested and analyzed separately. Reflectance spectra, Magness-Tayor (MT) firmness, and soluble solids in apples were measured sequentially. Maximum and minimum diameters, height, and weight of apples were recorded before the MT firmness tests. A spectrophotometer was used to collect reflectance spectra of intact apples over a wavelength range of 400 to 2, 498 nm. The W firmness tests were conducted using a standard 11.1mm (7/16 in.) MT probe mounted in an Instron universal testing machine. A digital refractormeter was used to measure soluble solid contents in the apples. Apple samples were divided into a calibration set and a prediction set. The calibration set was used during model development, and the prediction set was used to predict soluble solids and firmness from unknown spectra. The method of partial least square (PLS) analysis was used. An unique set of PLS loading vectors (factors) was developed for soluble solid content and firmness. The PLS model showed good correlations between predicted and measured soluble solids of intact apples in 860~1078 nm of the wavelengths. However, the PLS analysis was not good enough to predict the apple firmness.

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Near Infrared Spectroscopy of LAS (linear alkyl benzene sulfonate) (근적외선 분광분석법을 이용한 LAS (linear alkyl benzene sulfonate)의 정량분석법)

  • 조창희;최병기;김효진
    • Environmental Analysis Health and Toxicology
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    • v.15 no.1_2
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    • pp.39-43
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    • 2000
  • Linear alkyl sulfonates (LAS) constitute a large fraction of the surfactants used in cleaning processes in households, trade and industry Despite the industrial significance and the possible environmental impact of these compounds, the fast and inexpensive determination of LAS concentrations is still a difficult task. In this study, near infrared (NIR) spectroscopy which is a rapid spectroscopic analysis method compared with a traditional analytical method for the measurement of LAS concentration such as HPLC, GC and standard wet chemistry method. NIR spectra of LAS between 0.313 and 25.0% (w/v) in water were utilized to develop a calibration model. The best results (R = 0.998, SEP = 0.244% (w/v)) obtained by using partial least-squares regression with spectral data treatment and 2nd derivatization were comparable to the results (SEC = 0.186% (w/v), SEP = 0.206% (w/v)) obtained by using multiple linear least-squares regression (MLR). However, models based on derivative spectra have no significant advantage with MLR.

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Discrimination of Geographical Origin and Seed Content in Red Pepper Powder by Near Infrared Reflectance Spectroscopic Analysis (근적외선 분광분석법에 의한 고춧가루의 원산지 및 고추씨 혼입 판별)

  • Kwon, Hye-Soon;Lee, Nam-Yun;Kim, Soo-Jung;Chung, Seung-Sung;Kim, Joong-Hwan
    • Journal of the Korean Applied Science and Technology
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    • v.16 no.2
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    • pp.155-161
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    • 1999
  • Red pepper powder (Capsicum annum L.) is an important seasoning as a kimchi ingredient in korea and most korean consumer tend to eat the korean red pepper powder as the better than other oriental country such as China. Near infrared reflectance spectroscopy (NIRS) was applied for discrimination according to geographical origin (Korea, China) of red pepper powder. The objective of this study is to determine if NIR technique could be used to discriminate between the korean red pepper powder and non-korean red pepper powder according to seed content and maxing ratio in red pepper powder by using the new method. Rapid, precise and nondestructive analysis method for determination of the geographical origin of red pepper powder by near infrared spectroscopy and chemometrics were performed. It has been observed discriminant analysis with PLS is adequate to determinate the geographical origin of red pepper powder. It tend to difficult the discrimination of geographical origin according to increase the seed content of red pepper powder. The accuracy of discrimination in mixed red pepper powder was range from 95.2% to 100%.

Rapid Prediction of Amylose Content of Polished Rice by Fourier Transform Near-Infrared Spectroscopy

  • Lee, Jin-Cheol;Yoon, Yeon-Hee;Kim, Sun-Min;Pyo, Byong-Sik;Hsieh, Fu-Hung;Kim, Hak-Jin;Eun, Jong-Bang
    • Food Science and Biotechnology
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    • v.16 no.3
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    • pp.477-481
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    • 2007
  • Fourier transform near-infrared (FT-NIR) spectroscopy and partial least squares (PLS) regression were used to predict the amylose content of polished rice. Spectral reflectance data in a wavelength range of 1,000 to 2,500 nm were obtained with a commercial spectrophotometer for 60 different varieties of Korean rice. For a comparison of this spectroscopic method to a standard chemical analysis, the amylose contents of the tested rice samples were determined by the iodine-blue colorimetric method. The highest correlation for the rice amylose ($R^2=0.94$, standard error of prediction=0.20% amylose content) was obtained when using the FT-NIR spectrum data pre-treated with normalization, the first derivative, smoothing, and scattering correction.