• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1281-1281
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• 2001

Near-infrared (NIR) spectra have bean measured for high-density (HDPE), linear low-density (LLDPE), and low-density (LDPE) polyethylene in pellet or thin films. The obtained spectra have been analyzed by conventional spectroscopic analysis methods and chemometrics. By using the second derivative, principal component analysis (PCA), and two-dimensional (2D) correlation analysis, we could separate many overlapped bands in the NIR. It was found that the intensities of some bands are sensitive to density and crystallinity of PE. This may be the first time that such bands in the NIR region have ever been discussed. Correlations of such marker bands among the NIR spectra have also been investigated. This sort of investigation is very important not only for further understanding of vibration spectra of various of PE but also for quality control of PE by vibrational spectroscopy. Figure 1 (a) and (b) shows a NIR reflectance spectrum of one of the LLDPE samples and that of PE, respectively. Figure 2 shows a PC weight loadings plot of factor 1 for a score plot of PCA for the 16 kinds of LLDPE and PE based upon their 51 NIR spectra in the 1100-1900 nm region. The PC loadings plot separates the bands due to the $CH_3$ groups and those arising form the $CH_2$ groups, allowing one to make band assignments. The 2D correlation analysis is also powerful in band enhancement, and the band assignments based upon PCA are in good agreement with those by the 2D correlation analysis.(Figure omitted). We have made a calibration model, which predicts the density of LLDPE by use of partial least square (PLS) regression. From the loadings plot of regression coefficients for the model , we suggest that the band at 1542, 1728, and 1764 nm very sensitive to the changes in density and crystalinity.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1253-1253
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• 2001

The ability to accurately assess wine quality is important during the wine making process, particularly when allocating batches of wines to styles determined by consumer requirements. Grape payments are often determined by the quality category of the wine that is produced from them. Wine quality, in terms of sensory characteristics, is normally a subjective measure, performed by experienced winemakers, wine competition judges or winetasting panellists. By nature, such assessments can be biased by individual preferences and may be subject to day-to-day variation. Taste and aroma compounds are often present in concentrations below the detection limit of near infrared (NIR) spectroscopy but the more abundant organic compounds offer potential for objective quality grading by this technique. Samples were drawn from one of Australia's major wine shows and from BRL Hardy's post-vintage wine quality allocation tastings. The samples were scanned in transmission mode with a FOSS NIR Systems 6500, over the wavelength range 400-2500 ㎚. Data analysis was performed with the Vision chemometrics package. With samples from the allocation tastings, the best correlations between NIR spectra and tasting data were obtained with dry red wines. These calibrations used loadings in the wavelengths related to anthocyanins, ethanol and possibly tannins. Anthocyanins are a group of compounds responsible for colour in red wines - restricting the wavelengths to those relating to anthocyanins produced calibrations of similar accuracy to those using the full wavelength range. This was particularly marked with Merlot, a variety that tends to have relatively lower anthocyanin levels than Cabernet Sauvignon and Shiraz. For dry white wines, calibrations appeared to be more dependent on ethanol characteristics of the spectrum, implying that quality correlated with fruit maturity. The correlations between NIR spectra and sensory data obtained using the wine show samples were less significant in general. This may be related to the fact that within most classes in the show, the samples may span vintages, glowing areas and winemaking styles, even though they may be made from only one grape variety. For dry red wines, the best calibrations were obtained with a class of Pinot Noir - a variety that tends to be produced in limited areas in Australia and would represent the least matrix variation. Good correlations were obtained with a tawny port class - these wines are sweet, fortified wines, that are aged for long periods in wooden barrels. During the ageing process Maillard browning compounds are formed and the water is lost through the barrels in preference to ethanol, producing “concentrated” darkly coloured wines with high alcohol content. These calibrations indicated heaviest loadings in the water regions of the spectrum, suggesting that “concentration” of the wines was important, whilst the visible and alcohol regions of the spectrum also featured as important factors. NIR calibrations based on sensory scores will always be difficult to obtain due to variation between individual winetasters. Nevertheless, these results warrant further investigation and may provide valuable Insight into the main parameters affecting wine quality.

• The Plant Pathology Journal
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• v.34 no.5
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• pp.381-392
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• 2018

Clavibacter michiganensis subsp. michiganesis (Cmm) is a quarantine-worthy pest in $M{\acute{e}}xico$. The implementation and validation of new technologies is necessary to reduce the time for bacterial detection in laboratory conditions and Raman spectroscopy is an ambitious technology that has all of the features needed to characterize and identify bacteria. Under controlled conditions a contagion process was induced with Cmm, the disease epidemiology was monitored. Micro-Raman spectroscopy ($532nm\;{\lambda}$ laser) technique was evaluated its performance at assisting on Cmm detection through its characteristic Raman spectrum fingerprint. Our experiment was conducted with tomato plants in a completely randomized block experimental design (13 plants ${\times}$ 4 rows). The Cmm infection was confirmed by 16S rDNA and plants showed symptoms from 48 to 72 h after inoculation, the evolution of the incidence and severity on plant population varied over time and it kept an aggregated spatial pattern. The contagion process reached 79% just 24 days after the epidemic was induced. Micro-Raman spectroscopy proved its speed, efficiency and usefulness as a non-destructive method for the preliminary detection of Cmm. Carotenoid specific bands with wavelengths at 1146 and $1510cm^{-1}$ were the distinguishable markers. Chemometric analyses showed the best performance by the implementation of PCA-LDA supervised classification algorithms applied over Raman spectrum data with 100% of performance in metrics of classifiers (sensitivity, specificity, accuracy, negative and positive predictive value) that allowed us to differentiate Cmm from other endophytic bacteria (Bacillus and Pantoea). The unsupervised KMeans algorithm showed good performance (100, 96, 98, 91 y 100%, respectively).

• Journal of the Korean Wood Science and Technology
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• v.43 no.6
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• pp.701-713
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• 2015

A model was designed to identify wood species between Pinus densiflora for. erecta Uyeki and Pinus densiflora Sieb. et Zucc. using the near-infrared (NIR) spectroscopy in combination with principal component analysis (PCA) and partial least square discriminant analysis (PLS-DA). In the PCA using all of the spectra, Pinus densiflora for. erecta Uyeki and Pinus densiflora Sieb. et Zucc. could not be classified. In the PCA using the spectrum that has been measured in sapwood, however, Pinus densiflora for. erecta Uyeki and Pinus densiflora Sieb. et Zucc. could be identified. In particular, it was clearly classified by sapwood in radial section. And more, these two species could be perfectly identified using PLS-DA prediction model. The best performance in species identification was obtained when the second derivative spectra was used; the prediction accuracy was 100%. For prediction model, the $R_p{^2}$ value was 0.86 and the RMSEP was 0.38 in second derivative spectra. It was verified that the model designed by NIR spectroscopy with PLS-DA is suitable for species identification between Pinus densiflora for. erecta Uyeki and Pinus densiflora Sieb. et Zucc.

• Journal of Ginseng Research
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• v.42 no.4
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• pp.485-495
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• 2018

Background: The geographical origin of Panax ginseng Meyer, a valuable medicinal plant, is important to both ginseng producers and consumers in the context of economic profit and human health benefits. We, therefore, aimed to discriminate between the cultivation regions of ginseng using the stable isotope ratios of C, N, O, and S, which are abundant bioelements in living organisms. Methods: Six Korean ginseng cultivars (3-yr-old roots) were collected from five different regions in Korea. The C, N, O, and S stable isotope ratios in ginseng roots were measured by isotope ratio mass spectrometry, and then these isotope ratio profiles were statistically analyzed using chemometrics. Results: The various isotope ratios found in P. ginseng roots were significantly influenced by region, cultivar, and the interactions between these two factors ($p{\leq}0.001$). The variation in ${\delta}^{15}N$ and ${\delta}^{13}C$ in ginseng roots was significant for discriminating between different ginseng cultivation regions, and ${\delta}^{18}O$ and ${\delta}^{34}S$ were also affected by both altitude and proximity to coastal areas. Chemometric model results tested in this study provided discrimination between the majority of different cultivation regions. Based on the external validation, this chemometric model also showed good model performance ($R^2=0.853$ and $Q^2=0.738$). Conclusion: Our case study elucidates the variation of C, N, O, and S stable isotope ratios in ginseng root depending on cultivation region. Hence, the analysis of stable isotope ratios is a suitable tool for discrimination between the regional origins of ginseng samples from Korea, with potential application to other countries.

• Korean Journal of Food Science and Technology
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• v.52 no.2
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• pp.125-129
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• 2020

In this study we developed a method for determining the geographic origin of soybeans by combining energy dispersive X-ray fluorescence spectrometry with statistical analysis. In 2018, 197 soybean samples (100 Korean domestic samples and 97 foreign samples) were collected for the construction of a geographic origin model. The mineral concentrations of 26 elements were measured and determined via the fundamental parameters approach. One-way analysis of variance, t-test, and canonical discriminant analysis were employed to reveal five elements (P, Ni, Br, Zn, and Mn) that could be used for the determination of geographic origins. The sensitivity, specificity, and efficiency for the above method were 91.0, 95.9, and 93.4%, respectively. Validation results from 60 samples collected in 2019 showed a predictive rate of 93.3% for Korean domestic soybeans and 100.0% for foreign soybeans. In conclusion, the combination of energy dispersive X-ray fluorescence spectrometry and chemometrics could be used to effectively determine the geographic origin of soybeans.

• Korean Journal of Agricultural Science
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• v.48 no.2
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• pp.299-310
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• 2021

Glycerol is a non-volatile compound with no aromatic properties that contributes significantly to the quality of wine by providing sweetness and richness of taste. In addition, it is also the third most significant byproduct of alcoholic fermentation in terms of quantity after ethanol and carbon dioxide. In this study, Fourier transform infrared (FT-IR) spectroscopy was employed as a fast non-destructive method in conjugation with multivariate regression analysis to build a model for the quantitative analysis of glycerol concentration in wine samples. The samples were prepared by using three varieties of red wine samples (i.e., Shiraz, Merlot, and Barbaresco) that were adulterated with glycerol in concentration ranges from 0.1 to 15% (v·v^-1), and subjected to analysis together with pure wine samples. A net analyte signal (NAS)-based methodology, called hybrid linear analysis in the literature (HLA/GO), was applied for predicting glycerol concentrations in the collected FT-IR spectral data. Calibration and validation sets were designed to evaluate the performance of the multivariate method. The obtained results exhibited a high coefficient of determination (R²) of 0.987 and a low root mean square error (RMSE) of 0.563% for the calibration set, and a R² of 0.984 and a RMSE of 0.626% for the validation set. Further, the model was validated in terms of sensitivity, selectivity, and limits of detection and quantification, and the results confirmed that this model can be used in most applications, as well as for quality assurance.

• Journal of The Korean Society of Grassland and Forage Science
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• v.40 no.4
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• pp.259-264
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• 2020

The aim of this study was to investigate the feasibility of discrimination 12 different cultivar of sorghum × sudangrass hybrid (Sorghum genus) seed through near infrared spectroscopy (NIRS). The amount of samples for develop to the best discriminant equation was 360. Whole samples were applied different three spectra range (visible, NIR and full range) within 680-2500 nm wavelength and the spectrastar 2500 Near near infrared was used to measure spectra. The calibration equation for discriminant analysis was developed partial least square (PLS) regression and discrimination equation (DE) analysis. The PLS discriminant analysis model for three spectra range developed with mathematic pretreatment 1,8,8,1 successfully discriminated 12 different sorghum genus. External validation indicated that all samples were discriminated correctly. The whole discriminant accuracy shown 82 ~ 100 % in NIR full range spectra. The results demonstrated the usefulness of NIRS combined with chemometrics as a rapid method for discrimination of sorghum × sudangrass hybrid cultivar through seed.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1246-1246
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• 2001

The quality of meat is highly variable in many properties. This variability originates from both animal production and meat processing. At the pre-slaughter stage, animal factors such as breed, sex, age contribute to this variability. Environmental factors include feeding, rearing, transport and conditions just before slaughter (Hildrum et al., 1995). Meat can be presented in a variety of forms, each offering different opportunities for adulteration and contamination. This has imposed great pressure on the food manufacturing industry to guarantee the safety of meat. Tissue and muscle speciation of flesh foods, as well as speciation of animal derived by-products fed to all classes of domestic animals, are now perhaps the most important uncertainty which the food industry must resolve to allay consumer concern. Recently, there is a demand for rapid and low cost methods of direct quality measurements in both food and food ingredients (including high performance liquid chromatography (HPLC), thin layer chromatography (TLC), enzymatic and inmunological tests (e.g. ELISA test) and physical tests) to establish their authenticity and hence guarantee the quality of products manufactured for consumers (Holland et al., 1998). The use of Near Infrared Reflectance Spectroscopy (NIRS) for the rapid, precise and non-destructive analysis of a wide range of organic materials has been comprehensively documented (Osborne et at., 1993). Most of the established methods have involved the development of NIRS calibrations for the quantitative prediction of composition in meat (Ben-Gera and Norris, 1968; Lanza, 1983; Clark and Short, 1994). This was a rational strategy to pursue during the initial stages of its application, given the type of equipment available, the state of development of the emerging discipline of chemometrics and the overwhelming commercial interest in solving such problems (Downey, 1994). One of the advantages of NIRS technology is not only to assess chemical structures through the analysis of the molecular bonds in the near infrared spectrum, but also to build an optical model characteristic of the sample which behaves like the “finger print” of the sample. This opens the possibility of using spectra to determine complex attributes of organic structures, which are related to molecular chromophores, organoleptic scores and sensory characteristics (Hildrum et al., 1994, 1995; Park et al., 1998). In addition, the application of statistical packages like principal component or discriminant analysis provides the possibility to understand the optical properties of the sample and make a classification without the chemical information. The objectives of this present work were: (1) to examine two methods of sample presentation to the instrument (intact and minced) and (2) to explore the use of principal component analysis (PCA) and Soft Independent Modelling of class Analogy (SIMCA) to classify muscles by quality attributes. Seventy-eight (n: 78) beef muscles (m. longissimus dorsi) from Hereford breed of cattle were used. The samples were scanned in a NIRS monochromator instrument (NIR Systems 6500, Silver Spring, MD, USA) in reflectance mode (log 1/R). Both intact and minced presentation to the instrument were explored. Qualitative analysis of optical information through PCA and SIMCA analysis showed differences in muscles resulting from two different feeding systems.