• 제목/요약/키워드: Infrared spectra

검색결과 855건 처리시간 0.023초

Attenuated total reflection Fourier transform infrared as a primary screening method for cancer in canine serum

  • Macotpet, Arayaporn;Pattarapanwichien, Ekkachai;Chio-Srichan, Sirinart;Daduang, Jureerut;Boonsiri, Patcharee
    • Journal of Veterinary Science
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    • 제21권1호
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    • pp.16.1-16.10
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    • 2020
  • Cancer is a major cause of death in dogs worldwide, and the incidence of cancer in dogs is increasing. The attenuated total reflection Fourier transform infrared spectroscopic (ATR-FTIR) technique is a powerful tool for the diagnosis of several diseases. This method enables samples to be examined directly without pre-preparation. In this study, we evaluated the diagnostic value of ATR-FTIR for the detection of cancer in dogs. Cancer-bearing dogs (n = 30) diagnosed by pathologists and clinically healthy dogs (n = 40) were enrolled in this study. Peripheral blood was collected for clinicopathological diagnosis. ATR-FTIR spectra were acquired, and principal component analysis was performed on the full wave number spectra (4,000-650 cm-1). The leave-one-out cross validation technique and partial least squares regression analysis were used to predict normal and cancer spectra. Red blood cell counts, hemoglobin levels and white blood cell counts were significantly lower in cancer-bearing dogs than in clinically healthy dogs (p < 0.01, p < 0.01 and p = 0.03, respectively). ATR-FTIR spectra showed significant differences between the clinically healthy and cancer-bearing groups. This finding demonstrates that ATR-FTIR can be applied as a screening technique to distinguish between cancer-bearing dogs and healthy dogs.

THE NONDESTRUCTIVE MEASUREMENT OF THE SOLUBLE SOLID AND ACID CONTENTS OF INTACT PEACH USING VIS/NIR TRANSMITTANCE SPECTRA

  • Hwang, I.G.;Noh, S.H.;Lee, H.Y.;Yang, S.B.
    • 한국농업기계학회:학술대회논문집
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    • 한국농업기계학회 2000년도 THE THIRD INTERNATIONAL CONFERENCE ON AGRICULTURAL MACHINERY ENGINEERING. V.II
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    • pp.210-218
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    • 2000
  • Since the SSC(soluble solid contents) and titratable acidity of fruit are highly concerned to the taste, the need for measuring them by non-destructive technology such as NIR(Visual and Near-infrared) spectroscopy is increasing. Specially, in order to grade the quality of each fruit with a sorter at sorting and packing facilities, technologies for online measurement satisfying the tolerance in terms of accuracy and speed should be developed. Many researches have been done to develop devices to measure the internal qualities of fruit such as SSC, titratable acidity, firmness, etc. with the VIS(Visual)/NIR(Near Infrared) reflectance spectra. The distributions of the SSC, titratable acidity, firmness, etc. are different with respect to the position and depth of fruit, and generally the VIS/NIR light can interact with fruit in a few millimeters of pathlength, and it is very difficult to measure the qualities of inner flesh of fruit. Therefore, to measure the average concentrations of each quality factor such as SSC and titratable acidity with the reflectance-type NIR devices, the spectra of fruit at several positions should be measured. Recently, the interest about the transmittance-type VIS/NIR devices is increasing. NIR light can penetrate through the fruit about 1/10-1/1,000,000 %. Therefore, very intensive light source and very sensitive sensor should be adopted to measure the transmitted light spectra of intact fruit. The ultimate purpose of this study was to develop a device to measure the transmitted light spectra of intact fruit such as apple, pear, peach, etc. With the transmittance-type VIS/NIR device, the feasibility of measurement of the SSC and titratable acidity in intact fruit cultivated in Korea was tested. The results are summarized as follows; A simple measurement device which can measure the transmitted light spectra of intact fruit was constructed with sample holder, two 500W-tungsten halogen lamps, a real-time spectrometer having a very sensitive CCD array sensor and optical fiber probe. With the device, it was possible to measure the transmitted light spectra of intact fruit such as apple, pear and peach. Main factors affecting the intensity of transmitted light spectra were the size of sample, the radiation intensity of light source and the integration time of the detector. Sample holder should be designed so that direct light leakage to the probe could be protected. Preprocessing method to the raw spectrum data significantly influenced the performance of the nondestructive measurement of SSC and titratable acidity of intact fruit. Representative results of PLS models in predicting the SSC of peach were SEP of 0.558 Brix% and R2 of 0.819, and those in predicting titratable acidity were SEP of 0.056% and R2 of 0.655.

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Study on Rapid Measurement of Wood Powder Concentration of Wood-Plastic Composites using FT-NIR and FT-IR Spectroscopy Techniques

  • Cho, Byoung-kwan;Lohoumi, Santosh;Choi, Chul;Yang, Seong-min;Kang, Seog-goo
    • Journal of the Korean Wood Science and Technology
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    • 제44권6호
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    • pp.852-863
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    • 2016
  • Wood-plastic composite (WPC) is a promising and sustainable material, and refers to a combination of wood and plastic along with some binding (adhesive) materials. In comparison to pure wood material, WPCs are in general have advantages of being cost effective, high durability, moisture resistance, and microbial resistance. The properties of WPCs come directly from the concentration of different components in composite; such as wood flour concentration directly affect mechanical and physical properties of WPCs. In this study, wood powder concentration in WPC was determined by Fourier transform near-infrared (FT-NIR) and Fourier transform infrared (FT-IR) spectroscopy. The reflectance spectra from WPC in both powdered and tableted form with five different concentrations of wood powder were collected and preprocessed to remove noise caused by several factors. To correlate the collected spectra with wood powder concentration, multivariate calibration method of partial least squares (PLS) was applied. During validation with an independent set of samples, good correlations with reference values were demonstrated for both FT-NIR and FT-IR data sets. In addition, high coefficient of determination (${R^2}_p$) and lower standard error of prediction (SEP) was yielded for tableted WPC than powdered WPC. The combination of FT-NIR and FT-IR spectral region was also studied. The results presented here showed that the use of both zones improved the determination accuracy for powdered WPC; however, no improvement in prediction result was achieved for tableted WPCs. The results obtained suggest that these spectroscopic techniques are a useful tool for fast and nondestructive determination of wood concentration in WPCs and have potential to replace conventional methods.

Development of robust Calibration for Determination Apple Sweetness using Near Infrared Spectroscopy

  • Sohn, Mi-Ryeong;Kwon, Young-Kil;Cho, Rae-Kwang
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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    • pp.1614-1614
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    • 2001
  • The sweetness (。Bix) of fruit is the main quality factor contributing to the fruit taste. The brix of the apple fruit can be measured non-destructively by near infrared (NIR) spectroscopy, allowing the sweetness grading of individual apple fruit. However, the fruit quality is influenced by various factors such as growing location, producing year, variety and harvest time etc., accordingly the robust NIR calibration is required. In this experimental results are presented the influence of two variations such as growing location and producing year of apple fruit in establishing of calibrations for sweetness, and developed a stable and highly accurate calibration. Apple fruit (Fuji) was collected every year from 1995 to 1997 in 3 different growing locations (Andong, Youngchun and Chungsong) of Kyungpook in Korea. NIR reflectance spectra of apple fruit were scanned in wavelength range of 1100∼2500nm using an InfraAlyzer 500C (Bran+Luebbe) with halogen lamp and PbS detector. The multiple linear regression and stepwise was carried out between the NIR raw spectra and the brix measured by refractometer to select the best regression equations. The calibration models by each growing district were well predicted to dependent sample set, but poorly predicted to independent sample set. Combined calibration model using data of three growing districts predicted reasonable well to a population set drawn from all growing districts(SEP = 0.69%, Bias=-0.075). The calibration models by each harvest year were not transferable across harvest year, however a combined calibration model using data of three harvest years was sufficiently robust to predict each sample sets(SEP = 0.53%, Bias = 0.004).

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Wavelength selection by loading vector analysis in determining total protein in human serum using near-infrared spectroscopy and Partial Least Squares Regression

  • Kim, Yoen-Joo;Yoon, Gil-Won
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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    • pp.4102-4102
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    • 2001
  • In multivariate analysis, absorbance spectrum is measured over a band of wavelengths. One does not often pay attention to the size of this wavelength band. However, it is desirable that spectrum is measured at only necessary wavelengths as long as the acceptable accuracy of prediction can be met. In this paper, the method of selecting an optimal band of wavelengths based on the loading vector analysis was proposed and applied for determining total protein in human serum using near-infrared transmission spectroscopy and PLSR. Loading vectors in the full spectrum PLSR were used as reference in selecting wavelengths, but only the first loading vector was used since it explains the spectrum best. Absorbance spectra of sera from 97 outpatients were measured at 1530∼1850 nm with an interval of 2 nm. Total protein concentrations of sera were ranged from 5.1 to 7.7 g/㎗. Spectra were measured by Cary 5E spectrophotometer (Varian, Australia). Serum in the 5 mm-pathlength cuvette was put in the sample beam and air in the reference beam. Full spectrum PLSR was applied to determine total protein from sera. Next, the wavelength region of 1672∼1754 nm was selected based on the first loading vector analysis. Standard Error of Cross Validation (SECV) of full spectrum (1530∼l850 nm) PLSR and selected wavelength PLSR (1672∼1754 nm) was respectively 0.28 and 0.27 g/㎗. The prediction accuracy between the two bands was equal. Wavelength selection based on loading vector in PLSR seemed to be simple and robust in comparison to other methods based on correlation plot, regression vector and genetic algorithm. As a reference of wavelength selection for PLSR, the loading vector has the advantage over the correlation plot since the former is based on multivariate model whereas the latter, on univariate model. Wavelength selection by the first loading vector analysis requires shorter computation time than that by genetic algorithm and needs not smoothing.

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Predicting Organic Matter content in Korean Soils Using Regression rules on Visible-Near Infrared Diffuse Reflectance Spectra

  • Chun, Hyen-Chung;Hong, Suk-Young;Song, Kwan-Cheol;Kim, Yi-Hyun;Hyun, Byung-Keun;Minasny, Budiman
    • 한국토양비료학회지
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    • 제45권4호
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    • pp.497-502
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    • 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.

알칼리금속 양이온과 착물을 형성한 캘릭스[4]아릴에스터의 진동스펙트럼에 대한 순수양자역학적 연구 (Ab Initio Study of Vibrational Spectra of p-tert-Butylcalix[4]aryl Ester Complexed with Alkali Metal Cation)

  • 최종인;김광호
    • 대한화학회지
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    • 제50권1호
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    • pp.7-13
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    • 2006
  • 모양의 캘릭스[4]아릴에스터 호스트(1)와 그것의 알칼리 금속 양이온과의 착물에 대하여 이론적인 적외선 흡수 스펙트럼들이 계산되었다. 진동 스펙트럼들은 RHF/6-31G 방법으로 최적화 된 후에 얻어졌다. 1+Na+ 착물의 여러 가지 C-O와 C=O 신축 운동들의 특징적인 진동수들은 C2v 형태의 분자 모양을 입증하여 주는 데에 반하여, 1+K+ 착물의 구조는 C4v에 가깝다는 것을 보여 주었다. 호스트 분자(1)와 1+Na+ 착물에 대한 이론적인 결과와 실험 스펙트럼들을 비교하였을 때, 계산된 진동수들이 실험 데이터와 잘 일치하는 것을 알 수 있었다.

DOUBLE STARS AS TRACERS OF TINY STRUCTURES IN THE INTERSTELLAR MEDIUM

  • MORABBI, SOMAYEH;MIRTORABI, MOHAMMAD TAGHI
    • 천문학논총
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    • 제30권2호
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    • pp.89-91
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    • 2015
  • Observed spectra of stars around the Sun have indicated that the Sun is located in a gas cavity, extending to 100pc. This gas cavity is called the "Local Bubble". The density of the interstellar medium (ISM) in the local bubble is about one tenth that of the average for the ISM in the Milky Way. Furthermore, some structures such as gas planes and strings in the local bubble are probably the result of supernovae. These, due to their low temperatures, can not be observed in the visible and infrared. The only way to do so is to measure the spectra of nearby stars so that the light of stars passing through the local bubble is absorbed by existing gas and the resulting spectral lines from absorption can be measured. In this study, we use binary stars to trace the local bubble structures through lines such as the Na I Doublet. First, we determined the observed spectral lines of stars by HARPS and FEROS echelle spectrographs. Then, we made synthetic spectra with the ATLAS9 code. Finally, the difference between the observational and synthetic spectra confirms the existence of the Na I Doublet in the local ISM.

Measurement of Quality Parameters of Honey by Reflectance Spectra

  • Park, Chang-Hyun;Yang, Won-Jun;Sohn, Jae-Hyung;Kim, Jong-Hoon
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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    • pp.1530-1530
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    • 2001
  • The objectives of this study were to develop models to predict quality parameters of Korean bee-honeys by visible and NIR spectroscopic technique. Two kinds of bee-honey fronl acacia and polyflower sources were tested in this study. The honeys were harvested in the spring of 2000 and stored in the storage facility at 20$^{\circ}C$ during experiments. Total of 394 samples of honey were analyzed. Reflectance spectra, moisture contents, ash, invert sugar, sucrose, F/G (fructose/glucose) ratio, HMF (hydroxymethyl furfural), and C12/C13 ratio of honeys were measured. The average values for the tested honeys were 19.9% of moisture contents, 0.12% of ash, 68.4% of invert sugar, 5.7% of sucrose, 1.27 of F/G(fructose/glucose) ratio, 14.4 mg/kg of HMF, and -19.1 of C12/C13 ratio. A spectrophotometer, equipped with a single-beam scanning monochromator (NIR Systems, Model 6500, USA) and a horizontal setup module, was used to collect reflectance data from honey. The reflectance spectra were measured in wavelength ranges of 400∼2,498 nm. with 2 nm of interval. Thirty-two repetitive scans were averaged, transformed to log(1/Reflectance), and then were stored in a microcomputer file, forming one spectrum per measurement. A sample cell and reflectance plate were made to hold honey samples constantly. Spectra of honey samples were divided into a calibration set and a validation set. The calibration set was used during model development, and the validation set was used to predict quality parameters from unknown spectra. The PLS(Partial Least Square) models were developed to predict the quality parameters of honeys. The first and the second derivatives of raw spectra were also used to develop the models with proper smoothing gap. The MSC (multiplicative scatter correction) and the SNV & Dtr.(standard normal variate and detranding) preprocessing were applied to all spectra to minimize sample-to-sample light scatter differences. The PLS models showed good relationships between predicted and measured quality parameters of honeys in the wavelength range of 1100∼2200 nm. However, the PLS analysis was not good enough to predict HMF of honeys.

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SPECTRAL EVOLUTION OF NOVAE IN THE NEAR-INFRARED BASED ON AKARI OBSERVATIONS

  • Sakon, Itsuki;Onaka, Takashi;Usui, Fumihiko;Shimamoto, Sayaka;Ohsawa, Ryou;Wada, Takehiko;Matsuhara, Hideo;Arai, Akira
    • 천문학논총
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    • 제32권1호
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    • pp.101-103
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    • 2017
  • We have carried out the near-infrared spectroscopic observations of recent classical novae (e.g., V2468Cyg, V1280Sco) within a few years from the outburst with AKARI as a part of AKARI Open Time Observing Program for Phase 3-II "Spectral Evolution of Novae in the Near-Infrared based on AKARI Observations (Proposal ID: SENNA)". The homogeneous datasets of near-infrared spectra from $2.5{\mu}m$ to $5{\mu}m$ with AKARI/IRC collected in this program are useful to infer the physical conditions of the shell formed by the ejected materials, to examine the chemical properties of the ejecta gas, and to examine the properties of dust formed in the nova ejecta.