• Journal of the Korean Wood Science and Technology
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• 제47권1호
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• pp.101-109
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• 2019

This paper examines the classification of five coniferous species, including larch (Larix kaempferi), red pine (Pinus densiflora), Korean pine (Pinus koraiensis), cedar (Cryptomeria japonica), and cypress (Chamaecyparis obtusa), using near-infrared (NIR) spectra. Fifty lumber samples were collected for each species. After air-drying the lumber, the NIR spectra (wavelength = 780-2500 nm) were acquired on the wide face of the lumber samples. Soft independent modeling of class analogy (SIMCA) was performed to classify the five species using their NIR spectra. Three types of spectra (raw, standard normal variated, and Savitzky-Golay $2^{nd}$ derivative) were used to compare the classification reliability of the SIMCA models. The SIMCA model based on Savitzky-Golay $2^{nd}$ derivatives preprocessing was determined as the best classification model in this study. The accuracy, minimum precision, and minimum recall of the best model (PCA models using Savitzky-Golay $2^{nd}$ derivative preprocessed spectra) were evaluated as 73.00%, 98.54% (Korean pine), and 67.50% (Korean pine), respectively.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.4106-4106
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• 2001

A method to discriminate human gallstones by nea. infrared(NIR) spectrometry using a soft independent modeling of class analogy (SIMCA) has been studied. The fifty NIR spectra of gallstones in the wavenumber range from 4500 to 10,000 cm$\^$-1/ were measured. The forty samples were classified to three classes, cholesterol stone, calcium bilirubinate stone and calcium carbonate stone according to the contents of major components in each gallstone. The training set which contained objects of the different known class was constructed using forty NIR spectra and the test set was made with ten different gallstone spectra. The number of important principal components(PCs) to describe the class was determined by cross validation in order to improve the decision criterion of the SIMCA for the training set. The score plots of the class training set whose objects belong to the other classes were inspected. The critical distance of each class was computed using both the Euclidean distance and the Mahalanobis distance at a proper level of significance(${\alpha}$). Two methods were compared with respect to classification and their robustness towards the number of PCs selected to describe different classes.

• Agricultural and Biosystems Engineering
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• 제5권1호
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• pp.25-29
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• 2004

Fluorescence spectroscopy was used to characterize chicken carcass diseases. Spectral signatures of three different disease categories of poultry carcasses (airsacculitis, cadaver and septicemia) were obtained from fluorescence emission measurements in the wavelength range of 360 to 600 nm with 330 nm excitation. Principal Component Analysis (PCA) was used to select the most significant wavelengths for the classification of poultry carcasses. These wavelengths were analyzed for pathologic correlation of poultry diseases. Using a Soft Independent Modeling of Class Analogy (SIMCA) of principal components with a Mahalanobis distance metric, poultry carcasses were individually classified into different classes with $97.9\%$ accuracy.

• 약학회지
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• 제49권1호
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• pp.74-79
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• 2005

Metabonomic analysis has been recognized as a powerful approach for characterizing metabolic changes in biofluids due to toxicity, disease process or environmental influences. To investigate the possibility of relating metabolic changes with $^{1}H-NMR$ spectra, urine samples from Sprague-Dawley rats treated with various dietary restrictions or toxic substances (nicotine) were analysed using $^{1}H-NMR$ spectroscopy and pattern recognition techniques. Dietary restrictions-given to male rats were normal diet and high fat diet and fasting. The nicotine urine samples were collected from SD rats administered with nicotine (25 mg/kg) at the various time intervals. $^{1}H-NMR$ spectra of all urine samples were acquired at 400 MHz on a VARIAN spectrometer. To establish the presence of any intrinsic class-related patterns or clusters in each NMR data, methods of PCA (principal component analysis) and soft independent modeling of class analogy (SIMCA) analysis were used, and the results from these analyses were compared to each other. In all cases of dietary conditions and nicotine treatment, SIMCA analysis gave better results for the discrimination of NMR spectra of urine samples than PCA.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1248-1248
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• 2001

Mastitis is a major problem for the global dairy industry and causes substantial economic losses from decreasing milk production and considerable compositional changes in milk, reducing milk quality. The potential of near infrared (NIR) spectroscopy in the region from 1100 to 2500nm and chemometric method for classification to detect milk from mastitic cows was investigated. A total of 189 milk samples from 7 Holstein cows were collected for 27 days, consecutively, and analyzed for somatic cells (SCC). Three of the cows were healthy, and the rest had mastitis periods during the experiment. NIR transflectance milk spectra were obtained by the InfraAlyzer 500 spectrophotometer in the spectral range from 1100 to 2500nm. All samples were divided into calibration set and test set. Class variable was assigned for each sample as follow: healthy (class 1) and mastitic (class 2), based on milk SCC content. The classification of the samples was performed using soft independent modeling of class analogy (SIMCA) and different spectral data pretreatment. Two concentration of SCC - 200 000 cells/ml and 300 000 cells/ml, respectively, were used as thresholds fer separation of healthy and mastitis cows. The best detection accuracy was found for models, obtained using 200 000 cells/ml as threshold and smoothed absorbance data - 98.41% from samples in the calibration set and 87.30% from the samples in the independent test set were correctly classified. SIMCA results for classes, based on 300 000 cells/ml threshold, showed a little lower accuracy of classification. The analysis of changes in the loading of first PC factor for group of healthy milk and group of mastitic milk showed, that separation between classes was indirect and based on influence of mastitis on the milk components. The accuracy of mastitis detection by SIMCA method, based on NIR spectra of milk would allow health screening of cows and differentiation between healthy and mastitic milk samples. Having SIMCA models, mastitis detection would be possible by using only DIR spectra of milk, without any other analyses.

• 한국광학회지
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• 제31권3호
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• pp.125-133
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• 2020

본 논문에서는 다변량 분석법과 결합된 레이저 유도 플라즈마 분광법을 사용하여 겹친 유류 지문을 분리하는 혁신적인 방법을 연구하였다. LIPS는 겹친 유류 지문의 화학 성분에 대한 데이터뿐 아니라 실시간 분석 및 고속 스캐닝이 가능한 분광법이다. 레이저 유도 플라즈마 분광법을 통해 도출된 스펙트럼은 적절한 다변량 분석이 적용되어 법의학적 분류와 겹친 유류 지문의 재구성에 유용한 화학적 성분을 제공한다. 본 연구에서는 LIPS 스펙트럼에서 4가지의 유류 지문을 분류하기 위하여, 주성분 분석 방식과 부분 최소 제곱 회귀 분석을 사용하였다. 제안된 방법은 SIMCA 및 PLS-DA와 같은 구별 방식을 사용하여 4개의 유류 지문의 분류를 성공적으로 입증하였다. 본 연구의 결과는 대략 85% 이상의 정확도를 가졌으며, external validation 실험에서도 분류의 가능함을 보였다. 최종적으로, 125 ㎛의 공간 간격으로 레이저 스캐닝 분석을 통한 겹친 유류 지문의 2차원 형태의 분리가 가능함을 입증하였다.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1257-1257
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• 2001

Fourier transform near infrared (FT-NIR) spectroscopy was used as a rapid method to measure the $^{o}Brix$ content and to discriminate between different must samples in terms of their fee amino nitrogen (FAN) values. FT-NIR spectroscopy was also used as a rapid method to discriminate between Chardonnay wine samples in terms of the status of the male-lactic fermentation (MLF). This was done by monitoring the conversion of malic to lactic acid and thereby determining whether MLF has started, is underway or has been completed followed by classification of the samples. Furthermore, FT-NIR spectroscopy was applied as a rapid method to discriminate between table wine samples in terms of the ethyl carbamate (EC) content. EC in wine can pose a health threat and need to be monitored by determining the EC content in relation to the regulatory limits set by the authorities. For each of the above mentioned parameters, $QUANT+^{TM}$ methods were built and calibrations derived and it was found that a very strong correlation existed in the sample set for the FT-NIR spectroscopic predictions of $^{o}Brix$ (r = 0.99, SECV = 0.306), but the correlations for the FAN (r = 0.61, SECV = 272.1), malic acid (r = 0.58, SECV = 1.06), lactic acid (r = 0.51, SECV = 1.14) and EC predictions (r = 0.47, SECV = 3.67) were not as good. Soft Independent Modeling by Class Analogy (SIMCA) diagnostics and validation was applied as a sophisticated discrimination method. The must samples could be classified in terms of their FAN values when SIMCA was applied, obtaining results with recognition rates exceeding 80%. When SIMCA diagnostics and validation were applied to determine the progress of conversion of malic to lactic acid and the EC content, again results with recognition rates exceeding 80% were obtained. The evaluation of the applicability of FT-NIR spectroscopy measurement of FAN, $^{o}Brix$ values, malic acid, lactic acid and EC content in must and wine shows considerable promise. FT-NIR spectroscopy has the potential to reduce the analytical times considerably in a range of measurements commonly used during the wine making process. Where conventional FT-NIR calibrations are not effective, SIMCA methods can be used as a discriminative method for rapid classification of samples. SIMCA can replace expensive, time-consuming, quantitative analytical methods, if not completely, at least to some extent, because in many processes it is only needed to know whether a specific cut off point has been reach or not or whether a sample belongs to a certain class or not.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1617-1617
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• 2001

It is well known now that near infrared spectroscopy (NIRS) is a fast, no destructive, and inexpensive analytical technique that could be used to classify, identify, and authenticate a wide range of foods and food items. Therefore, the main aims of this study were to provide a new insight into the authentication of five strawberry (Fragaria x ananassa) varieties and to correlate them with geographical zones and the propagating methods used. Three weeks plants of five different strawberry varieties (F. x ananassa Duch. cv Camarosa, Seascape, Chandler, F. Chiloensis, and F. Virginiana) were cultivated in vitro first and then transferred to pots with special soil, and grown in a greenhouse at CINVESTAV, all varieties were acquired from California (USA). After 18 months, ten leaves from each variety were collected. Transmission spectra from each leave were recorded over a range of 10, 000-4, 000 cm$-^{1}$, 32 scans of each strawberry leave were collected using a resolution of 4 cm$-^{1}$ with a Paragon IdentiCheck FT-NIR System Spectrometer. Triplicates of each strawberry leave were used. All spectra were analyzed using principal component analysis (PCA) and soft independent modeling class analogy (SIMCA). The optimum number of components to be used in the regression was automatically determined by the software. Camarosa was the only variety grown from the same shoot but propagated by a different method (direct or in vitro). Five different classes (varieties) or clusters were observed among samples, however, larger inter class distances were presented by the two wildtype samples (F. Chiloensis and F. Virginiana). Camarosa direct and Camarosa in vitro displayed a small overlapping region between them. On the other hand, Seascape variety presented the smallest rejection percentage among all varieties (more similarities with the rest of the samples). Therefore, it can be concluded that the application of NIRS technique allowed the authentication of all strawberry varieties and geographical origin as well. It was also possible to form subclasses of the same materials. The results presented here demonstrate that NIRS is a very powerful and promising analytical tool since all materials were authenticated and classified based on their variety, origin, and treatment. This is of a tremendous relevance since the variety and origin of a plant material can be established even before it gives its typical fruit or flower.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1031-1031
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• 2001

The mammary gland is made up of remarkably sensitive tissue, which has the capability of producing a large volume of secretion, milk, under normal or healthy conditions. When bacteria enter the gland and establish an infection (mastitis), inflammation is initiated accompanied by an influx of white cells from the blood stream, by altered secretory function, and changes in the volume and composition of secretion. Cell numbers in milk are closely associated with inflammation and udder health. These somatic cell counts (SCC) are accepted as the international standard measurement of milk quality in dairy and for mastitis diagnosis. NIR Spectra of unhomogenized composite milk samples from 14 cows (healthy and mastitic), 7days after parturition and during the next 30 days of lactation were measured. Different multivariate analysis techniques were used to diagnose the disease at very early stage and determine how the spectral properties of milk vary with its composition and animal health. PLS model for prediction of somatic cell count (SCC) based on NIR milk spectra was made. The best accuracy of determination for the 1100-2500nm range was found using smoothed absorbance data and 10 PLS factors. The standard error of prediction for independent validation set of samples was 0.382, correlation coefficient 0.854 and the variation coefficient 7.63%. It has been found that SCC determination by NIR milk spectra was indirect and based on the related changes in milk composition. From the spectral changes, we learned that when mastitis occurred, the most significant factors that simultaneously influenced milk spectra were alteration of milk proteins and changes in ionic concentration of milk. It was consistent with the results we obtained further when applied 2DCOS. Two-dimensional correlation analysis of NIR milk spectra was done to assess the changes in milk composition, which occur when somatic cell count (SCC) levels vary. The synchronous correlation map revealed that when SCC increases, protein levels increase while water and lactose levels decrease. Results from the analysis of the asynchronous plot indicated that changes in water and fat absorptions occur before other milk components. In addition, the technique was used to assess the changes in milk during a period when SCC levels do not vary appreciably. Results indicated that milk components are in equilibrium and no appreciable change in a given component was seen with respect to another. This was found in both healthy and mastitic animals. However, milk components were found to vary with SCC content regardless of the range considered. This important finding demonstrates that 2-D correlation analysis may be used to track even subtle changes in milk composition in individual cows. To find out the right threshold for SCC when used for mastitis diagnosis at cow level, classification of milk samples was performed using soft independent modeling of class analogy (SIMCA) and different spectral data pretreatment. Two levels of SCC - 200 000 cells/$m\ell$ and 300 000 cells/$m\ell$, respectively, were set up and compared as thresholds to discriminate between healthy and mastitic cows. The best detection accuracy was found with 200 000 cells/$m\ell$ as threshold for mastitis and smoothed absorbance data: - 98% of the milk samples in the calibration set and 87% of the samples in the independent test set were correctly classified. When the spectral information was studied it was found that the successful mastitis diagnosis was based on reviling the spectral changes related to the corresponding changes in milk composition. NIRS combined with different ways of spectral data ruining can provide faster and nondestructive alternative to current methods for mastitis diagnosis and a new inside into disease understanding at molecular level.