• Title/Summary/Keyword: PLSR

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Determination of Hydrogen Peroxide Concentration by Portable Near-Infrared (NIR) System (근적외분광분석법을 이용한 과산화수소의 농도 측정)

  • 임현량;우영아;장수현;김경미;김효진
    • YAKHAK HOEJI
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    • v.46 no.5
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    • pp.324-330
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    • 2002
  • This experiment was carried out to determine non-destructively the hydrogen peroxide concentration of 3% antiseptic hydrogen peroxide solutions by portable near-infrared (NIR) system. Hydrogen peroxide standards were prepared ranging from 0 to 25.6 w/w% and the NIR spectra of hydrogen peroxide standard solutions were collected by using a quartz cell in 1 mm pathlength. We found the variation of absorbance band due to OH vibration of hydrogen peroxide depending on the concentration around 1400 nm in the second derivatives spectra. Partial least square regression (PLSR) and multilinear regression (MLR) were explored to develop a calibration model over the spectral range 1100-1720 nm. The model using PLSR was better than that using MLR. The calibration showed good results with a standard error of prediction (SEP) of 0.16%. In order to validate the developed calibration model, routine analyses were performed using commercial antiseptic hydrogen peroxide solutions. The hydrogen peroxide values from the NIR calibration model were compared with the values from a redox titration method. The NIR routine analyses results showed good correlation with those of the redox titration method. This study showed that the rapid and non-destructive determination of hydrogen peroxide in the antiseptic solution was successfully performed by portable NIR system without very harmful solvents.

Determination of Human Skin Moisture in the Near-Infrared Region from 1100 to 2200 nm by Portable NIR System (1100∼2200 nm 파장 영역의 휴대용 근적외선 분광분석기를 이용한 사람피부의 수분측정)

  • 안지원;서은정;우영아;김효진
    • YAKHAK HOEJI
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    • v.47 no.3
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    • pp.148-153
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    • 2003
  • Skin moisture is an important factor in skin health. Measurement of moisture content can provide diagnostic information on the condition of skin. In this study, a portable near-infrared (NIR) system was newly integrated with a photo diode array detector that has no moving parts, and this system has been successfully applied for the evaluation of human skin moisture. Diffuse reflectance spectra were collected and transformed to absorbance using 1 nm step size over the wavelength range of 1100 nm to 2200 nm. Partial least squares regression (PLSR) was applied to develop a calibration model. For practical use for the evaluation of human skin moisture, the PLS model for human skin moisture was developed in vivo using the portable NIR system on the basis of the relative water content values of stratum corneum from the conventional capacitance method. The PLS model showed a good correlation. The calibration with the use of PLS model predicted human moisture with a standard error of prediction (SEP) of 3.5 at 1120∼1730 nm range. This study showed the possibility of skin moisture measurement using portable NIR system.

Effect of Different Cooking Methods on the Composition of Intramuscular Fatty Acids of Hyla Rabbit

  • Xue, Shan;Xiao, Xia;He, Zhifei;Li, Hongjun
    • Food Science of Animal Resources
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    • v.36 no.2
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    • pp.178-185
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    • 2016
  • The influence of three cooking methods (stewing, microwaving and Aluminium (Al) foil-baking) was evaluated on the content of intramuscular lipid and the composition of intramuscular fatty acids of Hyla rabbit. The percentage of intramuscular lipid in cooked-longissimus dorsi (LD) (dry weight %) were in the order mentioned below: microwaving > foil-baking > stewing. All treated samples showed decrease in the proportion of polyunsaturated fatty acids (PUFA) and monounsaturated fatty acids (MUFA), whilst increase in the proportion of saturated (SFA) and n-6/n-3 value during processing. All of the cooked samples had the n-6/n-3 ratio within the recommended range (5-10). By the analysis of partial least squares regression (PLSR), the microwaving treatment was better to keep the stability of unsaturated fatty acids (UFA), whilst the long-time Al foil-baking did the most serious damage to UFA, especially the PUFA. In addition, the heating method showed greater influence on the samples than the processing time. The shorter processing time was better to retain the intramuscular PUFA of Hyla rabbit, especially the LC-PUFAs (C20-22). Considering all the factors, microwaving showed the superiority in reserving the composition of intramuscular fatty acids of Hyla rabbit.

Quantification of Skin Moisture in Hairless Mouse by using a Portable NIR System and a FT NIR Spectrometer (Photo Diode Array형의 휴대용 근적외 분광기와 FT 근적외 분광기를 이용한 Hairless Mouse 피부 수분 정량)

  • Suh, Eun-Jung;Woo, Young-Ah;Kim, Hyo-Jin
    • YAKHAK HOEJI
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    • v.49 no.2
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    • pp.115-121
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    • 2005
  • In this study, the performance of a portable NIR system and a FT NIR spectrometer were compared to determine water content of hairless mouse skin. The stratum corneum parts wer e separated from the epidermal tissues by trypsin solution. NIR diffuse reflectance spectra of hairless mouse skin were acquired using a fiber optic probe. In the near infrared, water molecules show two clear absorption bands at 1450 nm from first overtone of O-H stretching and 1940 nm from the combination involving O-H stretching and O-H deformation. It was found that the variations of O-H absorption band according to water content. Partial least squares regression (PLSR) was applied to develop a calibration model. The PLS model showed a good correlation between NIR predicted value and the absolute water content of separated hairless mouse skin, in vitro. For both the portable and the FT NIR spectrometer, These studies showed the possibility of a rapid and nondestructive skin moisture measurement using NIR spectroscopy. The portable NIR spectrometer with a photodiode arrays-microsensor could be more rapidly applied for the determination of water content with comparable accuracy with the performance of a FT spectrometer .

Determination of the water content in citrus leaves by portable near infrared (NIR) system (근적외분광분석법을 이용한 감귤잎의 수분 측정)

  • Suh, Eun-Jung;Woo, Young-Ah;Lim, Hun-Rang;Kim, Hyo-Jin;Moon, Doo-Gyung;Choi, Young-Hun
    • Analytical Science and Technology
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    • v.16 no.4
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    • pp.277-282
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    • 2003
  • The amount of water for the cultivation of citrus is different based on the growing period. The effect of water stress induces to enhance of sugar accumulation in citrus. The water content in the leaves of citrus can be a index for watering during cultivation. The purpose of this study is to determine the water content of citrus leaves non-destructively by using near infrared spectroscopy (NIRS). Citrus leaves were prepared from 'Okitsu' Satusuma mandarin leaves (Citrus unshiu Marc.) ranging from 20.80 to 69.98% of water content by loss on drying method, and NIR reflectance spectra of citrus leaves were acquired by using a fiber optic probe. It was found that the variation of absorbance band 1450 nm from OH vibration of water depending on the water content change. Partial least squares regression (PLSR) was applied to develop a calibration model over the spectral range 1100-1700 nm. The calibration model predicted the water content for the validation set with a standard errors of prediction (SEP) of 0.97%. In order to validate the developed calibration model, routine analyses were performed using independently prepared citrus leaves. The NIR routine analyses showed good results with those of loss on drying method with a SEP of 0.81%. The rapid and non-destructive determination of the water content in citrus leaves was successfully performed by portable NIR system.

Determination of water content in alcohol by portable near infrared (NIR) system (휴대용 분광분석기를 이용한 알코올 중에 함유되어 있는 물의 측정)

  • Ahn, Jhii-Weon;Woo, Young-Ah;Kim, Hyo-Jin
    • Analytical Science and Technology
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    • v.16 no.2
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    • pp.95-101
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    • 2003
  • In this study, water content in the mixture of methanol and ethanol was nondestructively measured by near infrared (NIR) spectroscopy. Two types of NIR instruments, portable NIR system with a photo-diode array and scanning type NIR spectrometer were used and the calibration results were compared. Partial least squares regression (PLSR) was applied for the calibration and validation for the quantitative analysis. The calibration results from both instruments showed good correlation with actual values. The calibration with the use of PLS model predicted water concentration with a standard error of prediction (SEP) of 0.10% and 0.12% for photo diode array and scanning type, respectively. During 6 days, routine analyses for 3%, 5% and 7% water in ethanol solution with 2% methanol were performed to validate the robustness of the developed calibration model. The routine analyses showed good results with coefficient of variation (CV) of within 3% for both types of NIR spectrometers. This study showed that the rapid determination of water in the mixture of methanol and ethanol was successfully performed by NIR spectroscopy and the performance of the portable NIR system with a photo diode array detector was comparable to that of the scanning type NIR spectrometer.

Direct Determination of Soil Nitrate Using Diffuse Reflectance Fourier Transform Spectroscopy (DRIFTS) (중적외선 분광학을 이용한 토양 내의 질산태 질소 정량분석)

  • Choe, Eunyoung;Kim, Kyoung-Woong;Hong, Suk Young;Kim, Ju-Yong
    • Korean Journal of Soil Science and Fertilizer
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    • v.41 no.4
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    • pp.267-272
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    • 2008
  • Mid-infrared (MIR) spectroscopy, particularly Fourier transform infrared spectroscopy (FTIR), has emerged as an important analytical tool in quantification as well as identification of multi-atomic inorganic ions such as nitrate. In the present study, the possibility of quantifying soil nitrate via diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) without change of a sample phase or with least treated samples was examined. Four types of soils were spectrally characterized in terms of unique bands of soil contents and interferences with nitrate bands in the range of $2000-1000cm^{-1}$. In order to reduce the effects of soil composition on calibration model for nitrate, spectra transformed to the 1st order derivatives were used in the partial least squared regression (PLSR) model and the classification procedure associated with input soil types was involved in calibration system. PLSR calibration models for each soil type provided better performance results ($R^2$>0.95, RPD>6.0) than the model considering just one type of soil as a standard.

Estimating Moisture Content of Cucumber Seedling Using Hyperspectral Imagery

  • Kang, Jeong-Gyun;Ryu, Chan-Seok;Kim, Seong-Heon;Kang, Ye-Seong;Sarkar, Tapash Kumar;Kang, Dong-Hyeon;Kim, Dong Eok;Ku, Yang-Gyu
    • Journal of Biosystems Engineering
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    • v.41 no.3
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    • pp.273-280
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    • 2016
  • Purpose: This experiment was conducted to detect water stress in terms of the moisture content of cucumber seedlings under water stress condition using a hyperspectral image acquisition system, linear regression analysis, and partial least square regression (PLSR) to achieve a non-destructive measurement procedure. Methods: Changes in the reflectance spectrum of cucumber seedlings under water stress were measured using hyperspectral imaging techniques. A model for estimating moisture content of cucumber seedlings was constructed through a linear regression analysis that used the moisture content of cucumber seedlings and a normalized difference vegetation index (NDVI). A model using PLSR that used the moisture content of cucumber seedlings and reflectance spectrum was also created. Results: In the early stages of water stress, cucumber seedlings recovered completely when sub-irrigation was applied. However, the seedlings suffering from initial wilting did not recover when more than 42 h passed without irrigation. The reflectance spectrum of seedlings under water stress decreased gradually, but increased when irrigation was provided, except for the seedlings that had permanently wilted. From the results of the linear regression analysis using the NDVI, the model excluding wilted seedlings with less than 20% (n=97) moisture content showed a precision ($R^2$ and $R^2_{\alpha}$) of 0.573 and 0.568, respectively, and accuracy (RE) of 4.138% and 4.138%, which was higher than that for models including all seedlings (n=100). For PLS regression analysis using the reflectance spectrum, both models were found to have strong precision ($R^2$) with a rating of 0.822, but accuracy (RMSE and RE) was higher in the model excluding wilted seedlings as 5.544% and 13.65% respectively. Conclusions: The estimation model of the moisture content of cucumber seedlings showed better results in the PLSR analysis using reflectance spectrum than the linear regression analysis using NDVI.

A Rapid Quantitative Assay of Intact Ambroxol Tablets by FT-NIR Spectroscopy

  • Kim, Do-Hyung;Ah, Woo-Young;Kim, Hyo-Jin
    • Proceedings of the PSK Conference
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    • 2003.10b
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    • pp.213.2-213.2
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    • 2003
  • A simple analytical procedure using FT-NIR for the rapid determination of individual ingredients was evaluated. Direct measurements were made by reflection using a reflectance accessory, by transmittance using tablet accessory and turn table. FT-NIR spectral data were transformed to the first derivative. Partial Least Square Regression(PLSR) was applied to quantify near-infrared (NIR) spectra of 2 ingredients. These calibration models were cross-validated (leave-one-out approach). The prediction ability of the models was evaluated on ambroxol tablets and compared with the real values in manufacturing procedure. (omitted)

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Development of Prediction Models for Nondestructive Measurement of Sugar Content in Sweet Persimmon (단감의 당도예측모델 개발에 관한 연구)

  • Son, J.R.;Lee, K.J.;Kang, S.;Kim, G.;Yang, G.M.;Mo, C.Y.;Seo, Y.
    • Journal of Biosystems Engineering
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    • v.34 no.3
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    • pp.197-203
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    • 2009
  • This study was performed to develop a nondestructive determination technology for sugar content in sweet persimmons, and the main research results included the following. In order to determine sugar content in sweet persimmons, a dual side reflex was adopted, and the study was to measure sugar content using a reflectance spectrum for 2 parts because it was difficult to determine representative sugar content due to a great deviation in sugar content according to the part of sweet persimmons. To predict sugar contents of sweet persimmon, PLSR and PCR models were compared with a few preprocess methods. As a result, PLSR had $R^2$=0.67, SEP=0.42 brix, LV=11, and PCR had $R^2$=0.65, SEP=0.41 brix, PC=16. SNV method was the best among preprocess methods for predicting sugar contents.