• 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.

• Proceedings of the Korean Society of Crop Science Conference
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• 1997.05a
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• pp.38-39
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• 1997

• The Korean Journal of Applied Statistics
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• v.31 no.6
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• pp.835-842
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• 2018

The so-called sliced average variance estimation (SAVE) is a popular methodology in sufficient dimension reduction literature. SAVE is sensitive to the number of slices in practice. To overcome this, a fused SAVE (FSAVE) is recently proposed by combining the kernel matrices obtained from various numbers of slices. In the paper, we consider practical applications of FSAVE to large p-small n data. For this, near-infrared spectroscopy of biscuit dough data is analyzed. In this case study, the usefulness of FSAVE in high-dimensional data analysis is confirmed by showing that the result by FASVE is superior to existing analysis results.

• KOREAN JOURNAL OF CROP SCIENCE
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• v.46 no.3
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• pp.248-252
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• 2001

Near infrared spectroscopy (NIRS) is a rapid and accurate analytical method for determining the composition of agricultural products and feeds. An important merit of the NIRS analytical system is consistent predictions across instruments. However, proper calibration is the most important factor for a NIRS analytical system. Forty samples were obtained from Kyonggi-do Agricultural Research and Extension Services, and used to develop calibrations for crude protein content and crude oil content. Calibrations equations were developed using multiple linear regression (MLR). Accuracy and precision of NIRS predictions were adequate for quality measurement for the two constituents in kidney bean seed. In calibration sample sets (N=30), multiple correlation coefficient between NIR and lab measurements is 0.90 for seed, 0.97 for powder in seed protein concentration and 0.40 for seed and 0.92 for powder in seed oil concentration, respectively. It is concluded that NIRS method is suitable for the determination of seed composition in whole kidney bean.

• Bulletin of Food Technology
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• v.9 no.4
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• pp.87-93
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• 1996

NIR(근적외) 분광분석법이 참기름의 원산국 판별에 이용 가능 한지를 알아보기 위하여 32종의 시료에 대하여 NIR 분석을 실시한 후, 그 분광 데이터에 대하여 principal component analysis(주성분 분석)와 canonical variate analysis(정준판별분석)을 실시하였다. 10개의 주성분과 400-2500nm에서 second derivative log(1/R) 데이터를 이용할 경우, 제1 및 제2 정준판별함수는 3개 참기름 그룹(한국산 참깨로 제조한 13종의 참기름 그룹, 외국산 참깨로 제조한 10종의 국산 참기름 그룹 및 미지의 참깨로 제조한 9종의 참기름 그룹)을 판별하는데 가장 효과적이었다. 사용된 canonical variate analysis는 참기름 시료를 100%의 정확도로 그 지리적 출처를 분류하였다. 한편 second derivative log(1/R) spectra상의 파장범위 498-500, 668, 1698-1724, 2242-2256, 2302-2306, 2328 및 2348~2352nm에서 3개 그룹간에 현저한 차이가 발견되었다.

• Bulletin of Food Technology
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• v.10 no.1
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• pp.94-101
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• 1997

NIR(근적외) 분광분석법이 녹차의 원산국을 판별하는데 이용할 수 있는지를 알아보기 위하여 분쇄한 47종의 한국산 및 일본산 녹차에 대하여 NIR 분석을 실시한 후, 그 분광 데이터에 대하여 principal component analysis(주성분 분석 )와 canonical variate analysis(정준판별분석)을 실시하였다. 15개의 주성분과 1100~2500nm에서의 first derivative log(1/R) 데이터를 이용할 경우, 제1 및 제2 정준판별함수는 한국산 녹차 및 일본산 녹차를 판별하는데 가장 효과적이었다. 사용된 canonical variate analysis는 녹차 시료를 97.87%의 정확도로 그 지리적 출처를 판별하였다. 한편 first derivative log(1/R) spectra상의 파장범위 1674~1686, 1950~1992, 2014~2030및 2118~2158 nm에서 일본산 녹차와 3종의 한국산 녹차 그룹간에 현저한 차이가 발견되었다. 이 차이는 polyphenols, caffeine 및 amino acids와 같은 녹차의 주요성분과 관련되어 있지 않으며 주로 지리적 출처상의 차이에 기인한 것으로 판단되었다.

• KOREAN JOURNAL OF CROP SCIENCE
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• v.41 no.1
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• pp.13-19
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• 1996

This study was conducted to establish the rapid determination method for major components of maturing covered barley grains, and to improve the efficiency of selection in barley breeding. Near Infrared Reflectance Spectroscopy (NIRS) is an established, economical and nondestructive technique applied widely to the food and feed industry. 34 barley lines were sampled at 5 day-interval from 25 to 35 days after heading. A standard regression analysis for the data obtained by analytical laboratory methods and NIRS method was carried out to get a useful calibration equation. The simple significant correlation between these two methods at 25 days after heading was recognized in starch and $\beta$-glucan contents. At 30 days after heading the data obtained by two methods showed significant correlation in starch, $\beta$-glucan and protein contents. Analyzed data and that from NIRS method at 35 days after heading was significantly correlated in starch and protein contents. It was concluded that the applicability of NIRS method for the components analysis in maturing barley grains was different depending on maturing stages and components.

• Proceedings of the Korean Society of Crop Science Conference
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• 1999.05a
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• pp.196-197
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• 1999

• Korean Journal of Soil Science and Fertilizer
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• v.37 no.4
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• pp.259-265
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• 2004

A quicker method was developed for foliar analysis in diagnosis of nitrogen in apple trees based on multivariate calibration procedure using partial least squares regression (PLSR) and principal component regression (PCR) to establish the relationship between reflectance spectra in the near infrared region and nitrogen content of fresh- and dry-leaf. Several spectral pre-processing methods such as smoothing, mean normalization, multiplicative scatter correction (MSC) and derivatives were used to improve the robustness and performance of the calibration models. Norris first derivative with a seven point segment and a gap of six points on MSC gave the best result of partial least squares-1 PLS-1) model for dry-leaf samples with root mean square error of prediction (RMSEP) equal to $0.699g\;kg^{-1}$, and that the Savitzky-Golay first derivate with a seven point convolution and a quadratic polynomial on MSC gave the best results of PLS-1 model for fresh-samples with RMSEP of $1.202g\;kg^{-1}$. The best PCR model was obtained with Savitzky-Golay first derivative using a seven point convolution and a quadratic polynomial on mean normalization for dry leaf samples with RMSEP of $0.553g\;kg^{-1}$, and obtained with the Savitzky-Golay first derivate using a seven point convolution and a quadratic polynomial for fresh samples with RMSEP of $1.047g\;kg^{-1}$. The results indicate that nitrogen can be determined by the near infrared reflectance (NIR) technology for fresh- and dry-leaf of apple.

• Korean Journal of Plant Resources
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• v.27 no.4
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• pp.286-292
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• 2014

Near infrared reflectance spectroscopy (NIRS) is a rapid and accurate analytical method for determining the composition of agricultural products and feeds. This study was conducted to measure baicalin, baicalein, and wogonin contents in Scutellaria baicalensis by using NIRS system. Total 63 samples previously were analyzed by HPLC, which showed baicalin, baicalein, and wogonin contents ranging 4.56 to 13.59%, 0.28 to 5.54%, and 0.50 to 1.63% with an average of 9.66%, 2.09% and 0.52%, respectively. Each sample was scanned by NIRS and calculated for calibration and validation equation. A calibration equation calculated by modified partial least squares(MPLS) regression technique was developed in which the coefficient of determination for baicalin, baicalein, and wogonin content was 0.958, 0.944, and 0.709, respectively. Each calibration equation was applied to validation set that was performed with the remaining samples not included in the calibration set, which showed high positive correlation both in baicalin and baicalein content file. In case of wogonin, the prediction model was needed more accuracy because of low $R^2$ value in validation set. These results demonstrate that the developed NIRS equation can be practically used as a rapid screening method for quantification of baicalin and baicalein contents in Scutellaria baicalensis.