• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
• /
• 2001.06a
• /
• pp.1244-1244
• /
• 2001

In linear discriminant analysis there are two important properties concerning the effectiveness of discriminant function modeling. The first is the separability of the discriminant function for different classes. The separability reaches its optimum by maximizing the ratio of between-class to within-class variance. The second is the stability of the discriminant function against noises present in the measurement variables. One can optimize the stability by exploring the discriminant variates in a principal variation subspace, i. e., the directions that account for a majority of the total variation of the data. An unstable discriminant function will exhibit inflated variance in the prediction of future unclassified objects, exposed to a significantly increased risk of erroneous prediction. Therefore, an ideal discriminant function should not only separate different classes with a minimum misclassification rate for the training set, but also possess a good stability such that the prediction variance for unclassified objects can be as small as possible. In other words, an optimal classifier should find a balance between the separability and the stability. This is of special significance for multivariate spectroscopy-based classification where multicollinearity always leads to discriminant directions located in low-spread subspaces. A new regularized discriminant analysis technique, the principal discriminant variate (PDV) method, has been developed for handling effectively multicollinear data commonly encountered in multivariate spectroscopy-based classification. The motivation behind this method is to seek a sequence of discriminant directions that not only optimize the separability between different classes, but also account for a maximized variation present in the data. Three different formulations for the PDV methods are suggested, and an effective computing procedure is proposed for a PDV method. Near-infrared (NIR) spectra of blood plasma samples from mastitic and healthy cows have been used to evaluate the behavior of the PDV method in comparison with principal component analysis (PCA), discriminant partial least squares (DPLS), soft independent modeling of class analogies (SIMCA) and Fisher linear discriminant analysis (FLDA). Results obtained demonstrate that the PDV method exhibits improved stability in prediction without significant loss of separability. The NIR spectra of blood plasma samples from mastitic and healthy cows are clearly discriminated between by the PDV method. Moreover, the proposed method provides superior performance to PCA, DPLS, SIMCA and FLDA, indicating that PDV is a promising tool in discriminant analysis of spectra-characterized samples with only small compositional difference, thereby providing a useful means for spectroscopy-based clinic applications.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
• /
• 2001.06a
• /
• pp.1042-1042
• /
• 2001

In linear discriminant analysis there are two important properties concerning the effectiveness of discriminant function modeling. The first is the separability of the discriminant function for different classes. The separability reaches its optimum by maximizing the ratio of between-class to within-class variance. The second is the stability of the discriminant function against noises present in the measurement variables. One can optimize the stability by exploring the discriminant variates in a principal variation subspace, i. e., the directions that account for a majority of the total variation of the data. An unstable discriminant function will exhibit inflated variance in the prediction of future unclassified objects, exposed to a significantly increased risk of erroneous prediction. Therefore, an ideal discriminant function should not only separate different classes with a minimum misclassification rate for the training set, but also possess a good stability such that the prediction variance for unclassified objects can be as small as possible. In other words, an optimal classifier should find a balance between the separability and the stability. This is of special significance for multivariate spectroscopy-based classification where multicollinearity always leads to discriminant directions located in low-spread subspaces. A new regularized discriminant analysis technique, the principal discriminant variate (PDV) method, has been developed for handling effectively multicollinear data commonly encountered in multivariate spectroscopy-based classification. The motivation behind this method is to seek a sequence of discriminant directions that not only optimize the separability between different classes, but also account for a maximized variation present in the data. Three different formulations for the PDV methods are suggested, and an effective computing procedure is proposed for a PDV method. Near-infrared (NIR) spectra of blood plasma samples from daily monitoring of two Japanese cows have been used to evaluate the behavior of the PDV method in comparison with principal component analysis (PCA), discriminant partial least squares (DPLS), soft independent modeling of class analogies (SIMCA) and Fisher linear discriminant analysis (FLDA). Results obtained demonstrate that the PDV method exhibits improved stability in prediction without significant loss of separability. The NIR spectra of blood plasma samples from two cows are clearly discriminated between by the PDV method. Moreover, the proposed method provides superior performance to PCA, DPLS, SIMCA md FLDA, indicating that PDV is a promising tool in discriminant analysis of spectra-characterized samples with only small compositional difference.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
• /
• 2001.06a
• /
• pp.1256-1256
• /
• 2001

The physico-chemical and texture characteristics of meat determine the nutritional, technological and sensory quality. However, the analysis of meat quality requires expensive, laborious and time consuming analytical methods. The objective of this study was to evaluate NIR spectroscopy using transmittance for determining the moisture, fat, protein and total pigment content, the water holding capacity (WHC) and the toughness of beef meat. A total of 318 spectra were recorded from ground beef samples by a Feed Analyzer 1265 of Infratec. The samples were obtained from the Longissimus muscle of the 10$^{th}$ rib of yearling bulls, ground with an electrical chopper, vacuum packaged, aged during 7 days and frozen at -24$^{\circ}C$ until the analyses were done. Moisture content was measured by oven drying at 10$0^{\circ}C$, fat content was determined by Soxhlet extraction and protein content was estimated from nitrogen content using the Kjeldahl analysis. The total pigment content was determined by the method of Hornsey and the WHC using the method of filter paper press. The instrumental evaluation of texture (maximum load WB, maximum stress MS and toughness) was conducted in an Instron equipment with a Warner-Bratzler shearing device. This analysis was performed on a chop of 3.5 cm obtained from the longissimus of the 8$^{th}$ rib, aged during 7 days, kept frozen at -24$^{\circ}C$ and cooked before the analysis. Near infrared spectra were recorded as log 1/T (T=transmittance) at 2 nm intervals from 850 to 1050 nm using a Feed Analyzer 1265 of Infratec. Calibrations were performed with the WinISI software (vs. 1.02) using the MPLS method. To examine the effect of scatter correction o. derivation of spectra on the calibration performance, calibrations were calculated with the crude spectra or pretreated with different mathematical treatments (inverse MSC, SNVD) and/or second derivative operation. For chemical composition, the use of the scatter corrections improved the calibration statistics, in terms of lower SECV and higher $r^2$. In most of the variables, the use of the 2$^{nd}$ derivative improved the predictions, mainly when combined with the SNVD treatment. However, for predicting the texture traits, the best estimation was obtained from the crude spectrum. These results showed that the equations obtained for predicting moisture, fat and total pigments were very accurate, with $r^2$ being higher that 0.9. However, the prediction of the texture traits (WB, MS, toughness) from ground meat was poor.

• Near Infrared Analysis
• /
• v.2 no.1
• /
• pp.37-42
• /
• 2001

Near infrared spectroscopy (NIRS) was applied to determination of the lipid content of the compost during the compost fermentation of tofu (soybean0curd) refuse. The absorption of lipid observed at 5 wavelengths, 1208, 1712, 1772, 2312 and 2352 nm on the second derivative spectra. To formulated a calibration equation, a multiple linear regression analysis was carried out between the near-infrared spectral data and on the lipid content in the calibration sample set (sample number, n=60) obtained using Soxhlet extraction method. The value of the multiple correlation coefficient (R) was 0.975 when using the wavelengths of 1208 and 1712 nm were used in the calibration equation. To validate the calibration equation obtained, the lipid content in the validation sample set (n=35) not used for formulating the calibration equation was calculated using the calibration equation, and compared with the value obtained using the Soxhlet extraction method. Good agreement was observed between the results of the Soxhlet extraction method and those values of the NIRS method. The simple correlation coefficient (r) and standard error of prediction (SEP) were 0.964 and 0.815 %, respectively. suitability of the lipid content as an indicator of the compost fermentation of tofu refuse was also studied. The decrease of the lipid content in the compost corresponded to the decrease of the total dry weight of the compost in the composter. The lipid content was a significant indicator of the compost fermentation. The NIRS method was applied to measure the time course of the lipid content in the compost fermentation and good results were obtained. The study indicates that NIRS is a useful method for process management of the compost fermentation of tofu refuse.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
• /
• 2001.06a
• /
• pp.1254-1254
• /
• 2001

Near infrared spectroscopy (NIRS) was applied to determination of the lipid content of compost during compost fermentation of tofu(soybean-curd) refuse. The reflected rays in the wavelength range between 800 and 2500 nm were measured at 2 nm intervals. The absorption of lipid observed at 4 wavelengths, 1208, 1712, 2312 and 2352 nm on the second derivative spectra. To formulate a calibration equation, a multiple linear regression analysis was carried out between the near-infrared spectral data and on the lipid content in the calibration sample set (sample number, n=60) obtained using a Soxhlet extraction method. The calibration equation for prediction of lipid, the value of the multiple correlation coefficient (R) was 0.975 when using the wavelengths of 1208 and 1712nm. To validate the calibration equation obtained, the lipid content in the validation sample set (n=35) not used for formulating the calibration equation were calculated using the calibration equations, and compared with the values obtained using the Soxhlet extraction method. Good agreement were observed between the results of the Soxhlet extraction method and those values of the NIRS method. The simple correlation coefficient (r) and standard error of prediction (SEP) were 0.964 and 0.815 %, respectively. Then, the NIRS method was applied to a compost fermentation in which the time course the lipid content were measured and good results were obtained. The study indicates that NIRS is a useful method for process management of the compost fermentation of tofu refuse.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
• /
• 2001.06a
• /
• pp.1247-1247
• /
• 2001

Constituents of animal biofluids such as milk, blood and urine contain information specifically related to metabolic and health status of the ruminant animals. Some changes in composition of biofluids can be attributed to disease response of the animals. Mastitis is a major problem for the global dairy industry and causes substantial economic losses from decreasing milk production and reducing milk quality. The purpose of this study was to investigate potential of NIRS combined with multivariate analysis for cow's mastitis diagnosis based on NIR spectra of milk, blood and urine. A total of 112 bulk milk, urine and blood samples from 4 Holstein cows were analyzed. The milk samples were collected from morning milking. The urine samples were collected before morning milking and stored at -35$^{\circ}C$ until spectral analysis. The blood samples were collected before morning milking using a catheter inserted into the carotid vein. Heparin was added to blood samples to prevent coagulation. All milk samples were analyzed for somatic cell count (SCC). The SCC content in milk was used as indicator of mastitis and as quantitative parameter for respective urine and blood samples collected at same time. NIR spectra of blood and milk samples were obtained by InfraAlyzer 500 spectrophotometer, using a transflectance mode. NIR spectra of urine samples were obtained by NIR System 6500 spectrophotometer, using 1 mm sample thickness. 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. SIMCA was implemented to create models of the respective classes based on NIR spectra of milk, blood or urine. For the calibration set of samples, SIMCA models (model for samples from healthy cows and model for samples from mastitic cows), correctly classified from 97.33 to 98.67% of milk samples, from 97.33 to 98.61% of urine samples and from 96.00 to 94.67% of blood samples. From samples in the test set, the percent of correctly classified samples varied from 70.27 to 89.19, depending mainly on spectral data pretreatment. The best results for all data sets were obtained when first derivative spectral data pretreatment was used. The incorrect classified samples were 5 from milk samples,5 and 4 from urine and blood samples, respectively. The analysis of changes in the loading of first PC factor for group of samples from healthy cows and group of samples from mastitic cows showed, that separation between classes was indirect and based on influence of mastitis on the milk, blood and urine components. Results from the present investigation showed that the changes that occur when a cow gets mastitis influence her milk, urine and blood spectra in a specific way. SIMCA allowed extraction of available spectral information from the milk, urine and blood spectra connected with mastitis. The obtained results could be used for development of a new method for mastitis detection.

• Near Infrared Analysis
• /
• v.2 no.1
• /
• pp.59-66
• /
• 2001

Nowadays, medical diagnostics is efficiently supported by clinical chemistry and near infrared spectroscopy is becoming a new dimension, which has shown high potential to provide valuable information for diagnosis. The investigation was carried out to study the influence of mammary gland inflammation, called mastitis, on cow´s milk spectra and milk composition measured by near infrared spectroscopy (NIRS). Milk somatic cell counts (SCC) in milk were used as a measure of mammary gland inflammation. Naturally occurred variations with milk composition within lactation and in the process of milking were included in the experimental design of this study. Time series of unhomogenized, raw milk spectral data were collected from 3 cow along morning and evening milking, for 5 consecutive months, within their second lactation. In the time of the trial, the investigated cows had periods with mammary gland inflammation. Transmittance spectra of 258 milk samples were obtained by NIRSystem 6500 spectrophotometer in 1100-2400 nm region. Calibration equations for the examined milk components were developed by PLS regression using 3 different sets of samples: samples with low somatic cell count (SCC), samples with high SCC and combined data set. The NIR calibration and prediction of individual cow´s milk fat, protein, and lactose were highly influenced by the presence of mil samples from animals with mammary gland inflammation in the data set. The best accuracy of prediction (i.e. the lower SEP and the higher correlation coefficient) for fat, protein and lactose was obtained for equations, developed when using only “healthy” samples, with low SCC. The standard error of prediction increased and correlation coefficient decreased significantly when equations for low SCC milk were used to predict examined components in “mastitis” samples with high SCC, and vice versa. Combined data set that included samples from healthy and mastitis animals could be used to build up regression models for screening. Further use of separate model for healthy samples improved milk composition measurement. Regression vectors for NIR mild protein measurement obtained for “healthy” and “mastitic” group were compared and revealed differences in 1390-1450 nm, 1500-1740 nm and 1900-2200 nm regions and thus illustrated post-secretory breakdown of milk proteins by hydrolytic enzymes that occurred with mastitis. For the first time it has been found that monitoring the spectral differences in water bands at 1440 nm and 1912 nm could provide valuable information for inflammation diagnosis.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
• /
• 2001.06a
• /
• pp.1522-1522
• /
• 2001

Beverages based on fruit juices are among the most popular commercially available drinks. There is an ever-increasing demand for these juices in the market. Orange juice is one of the most common as well as most favorite flavor. The fruit processing industries have a tremendous responsibility of quality control. For quality evaluation estimation of various components of the juice is necessary. Sucrose, glucose, fructose, citric acid and malic acid are the prime components of orange juice. Little information is available on analysis of orange juice. However, conventional and general wet chemistry procedures are currently being used which are no longer desired by the industry owing to the time involved, labor input and harmful chemicals required for each analysis. Need to replace these techniques with new, highly specific and automated sophisticated techniques viz. HPLC and spectroscopy has been realized since long time. Potential of Near Infrared Spectroscopy in quantitative analysis of different components of food samples has also been well established. A rapid, non-destructive and accurate technique based on Near Infrared Spectroscopy for determination of sugars and organic acids in orange juice will be highly useful. The current study is an investigation into the potential of Near Infrared Diffuse Reflectance Spectroscopy for rapid quantitative analysis of sucrose, glucose, fructose citric acid and malic acid in orange juice. All the Near Infrared measurements were peformed on a dispersive NIR spectrophotometer (ELICO 153) in diffuse reflectance mode. The spectral region from 1100 to 2500nm has been explored. The calibration has been performed on synthetic samples that are mixtures of sucrose, glucose, fructose, citric acid and malic acid in different concentration ranges typically encountered real orange juice. These synthetic samples are therefore considered to be representatives of natural juices. All the Near Infrared spectra of synthetic samples were subjected to mathematical analysis using Partial Least Square (PLS) algorithm. After the validation, calibration was applied to commercially available real samples and freshly squeezed natural juice samples. The actual concentrations were compared with those predicted from calibration curve. A good correlation is obtained between actual and predicted values as indicated by correlation coefficient ($R^2$) value, which is close to unity, showing the feasibility of the technique.

• Publications of The Korean Astronomical Society
• /
• v.32 no.1
• /
• pp.131-133
• /
• 2017

We present the latest results from the Mission Program NIRLT (PI: I.Yamamura), the near-infrared spectroscopy of brown dwarfs using the AKARI/IRC grism mode with the spectral resolution of ~ 120. The near-infrared spectra in the wavelength range between 2.5 and $5.0{\mu}m$ are especially important to study the brown dwarf atmospheres because of the presence of major molecular bands, including $CH_4$ at $3.3{\mu}m$, $CO_2$ at $4.2{\mu}m$, CO at $4.6{\mu}m$, and $H_2O$ around $2.7{\mu}m$. We observed 27 sources, and obtained 16 good spectra. Our model fitting reveals deviations between theoretical model and observed spectra in this wavelength range, which may be attributed to the physical condition of the upper atmosphere. The deviations indicate additional heating, which we hypothesize to be due to chromospheric activity. We test this effect by modifying the brown dwarf atmosphere model to artificially increase the temperature of the upper atmosphere, and compare the revised model with observed spectra of early- to mid-L type objects with $H{\alpha}$ emission. We find that the chemical structure of the atmosphere changes dramatically, and the heating model spectra of early-type brown dwarfs can be considerably improved to match the observed spectra. Our result suggests that chromospheric activity is essential to understand early-type brown dwarf atmospheres.

• Korean Journal of Soil Science and Fertilizer
• /
• v.45 no.4
• /
• pp.497-502
• /
• 2012

This study investigates the prediction of soil OM on Korean soils using the Visible-Near Infrared (Vis-NIR) spectroscopy. The ASD Field Spec Pro was used to acquire the reflectance of soil samples to visible to near-infrared radiation (350 to 2500 nm). A total of 503 soil samples from 61 Korean soil series were scanned using the instrument and OM was measured using the Walkley and Black method. For data analysis, the spectra were resampled from 500-2450 nm with 4 nm spacing and converted to the $1^{st}$ derivative of absorbance (log (1/R)). Partial least squares regression (PLSR) and regression rules model (Cubist) were applied to predict soil OM. Regression rules model estimates the target value by building conditional rules, and each rule contains a linear expression predicting OM from selected absorbance values. The regression rules model was shown to give a better prediction compared to PLSR. Although the prediction for Andisols had a larger error, soil order was not found to be useful in stratifying the prediction model. The stratification used by Cubist was mainly based on absorbance at wavelengths of 850 and 2320 nm, which corresponds to the organic absorption bands. These results showed that there could be more information on soil properties useful to classify or group OM data from Korean soils. In conclusion, this study shows it is possible to develop good prediction model of OM from Korean soils and provide data to reexamine the existing prediction models for more accurate prediction.