• Title/Summary/Keyword: Derivative spectra

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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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Examining Synchronous Fluorescence Spectra of Dissolved Organic Matter for River BOD Prediction (하천수 BOD 예측을 위한 용존 자연유기물질의 synchronous 형광 스펙트럼 분석)

  • Hur, Jin;Park, Min-Hye
    • Journal of Korean Society on Water Environment
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    • v.23 no.2
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    • pp.236-243
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    • 2007
  • Fluorescence measurements of dissolved organic matter (DOM) have the superior advantages over other analysis tools for the applications to water quality management due to their rapid analysis. It is known that protein-like fluorescence characteristics are well corelated with microbial activities and biodegradable organic matter. In this study, potential biochemical oxygen demand (BOD) predictor were explored using the fluorescence peak intensities and/or the integrated fluorescence intensities derived from synchronous fluorescence spectra and the first derivative spectra of river samples. A preliminary study was conducted using a mixture of a river and a treated sewage to test the feasibility of the approach. It was demonstrated that the better BOD predictor can be derived from synchronous fluorescence spectra and the derivatives when the difference between the emission and the excitation wavelengths (${\Delta}{\gamma}$) was large. The efficacy of several selected fluorescence parameters was rivers in Seoul. The fluorescence parameters exhibited relatively good correlation coefficients with the BOD values, ranging from 0.59 to 0.90. Two parameters were suggested to be the optimum BOD predictors, which were a fluorescence peak at a wavelength of 283 nm from the synchronous spectrum at the ${\Delta}{\gamma}$ value of 75 nm, and the integrated fluorescence intensity of the first derivatives of the spectra at the wavelength range between 245 nm and 280 nm. Each BOD predictor showed the correlation coefficients of 0.89 and 0.90, respectively. It is expected that the results of this study will provide important information to develop a real-time efficient sensor for river BOD in the future.

PREDICTION OF PHYSICO-CHEMICAL AND TEXTURE CHARACTERISTICS OF BEEF BY NEAR INFRARED TRANSMITTANCE SPECTROSCOPY

  • Olivan, Mamen;Delaroza, Begona;Mocha, Mercedes;Martinez, Maria Jesus
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1256-1256
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    • 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.

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Non-Destructive Prediction of Head Rice Ratios using NIR Spectra of Hulled Rice (정조 상태에서 백미에 대한 완전미율의 비파괴 예측)

  • Kwon, Young-Rip;Cho, Seung-Hyun;Lee, Jae-Heung;Seo, Kyoung-Won;Choi, Dong-Chil
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.53 no.3
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    • pp.244-250
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    • 2008
  • The purpose of this study was to measure fundamental data required for the prediction of milling ratios, and to develop regression models to predict the head rice ratio of milled rice using NIR spectra of hulled rice. A total of 81 rice samples used in this study were collected from Jeongeup, Jeonbuk province in 2006. NIR spectra were measured using one mode of measurement, reflection. The reflectance spectra were measured in the wavelength region of 400-2500 nm with an NIR spectrophotometer "NIRSystems 6500" (Foss, Silverspring, USA). Calibration equations were developed by the modified partial least squares (MPLS), partial least squares (PLS), and principal components regression (PCR). Math treatments were 1-4-4-1, 1-10-10-1, 2-4-4-1, and 2-10-10-1. The software used was WinISI (Infrasoft International, State College, USA). Automatic head rice production and quality checking system used was "SY2000-AHRPQCS" (Ssangyong, Korea). The calibration was made with the first derivative and the spectrum designated was in 8 nm interval. The determination coefficients of head rice ratios were 0.8353, 0.8416 and 0.5277 for the MPLS, PLS and PCR, respectively. Those obtained with 20 nm interval were 0.8144, 0.8354 and 0.6908 for the MPLS, PLS and PCR, respectively. The calibration was made with second derivative that spectrum designated was 8 nm in interval. The determination coefficients of head rice ratios were 0.7994, 0.8017 and 0.4473 for the MPLS, PLS and PCR, respectively. Those with 20 nm interval were 0.8004, 0.8493 and 0.6609 for the MPLS, PLS and PCR, respectively. These results indicate that the accuracy of determination coefficient for MPLS and PLS is higher than that of PCR.

Partial Least Squares Analysis on Near-Infrared Absorbance Spectra by Air-dried Specific Gravity of Major Domestic Softwood Species

  • Yang, Sang-Yun;Park, Yonggun;Chung, Hyunwoo;Kim, Hyunbin;Park, Se-Yeong;Choi, In-Gyu;Kwon, Ohkyung;Cho, Kyu-Chae;Yeo, Hwanmyeong
    • Journal of the Korean Wood Science and Technology
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    • v.45 no.4
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    • pp.399-408
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    • 2017
  • Research on the rapid and accurate prediction of physical properties of wood using near-infrared (NIR) spectroscopy has attracted recent attention. In this study, partial least squares analysis was performed between NIR spectra and air-dried specific gravity of five domestic conifer species including larch (Larix kaempferi), Korean pine (Pinus koraiensis), red pine (Pinus densiflora), cedar (Cryptomeria japonica), and cypress (Chamaecyparis obtusa). Fifty different lumbers per species were purchased from the five National Forestry Cooperative Federations of Korea. The air-dried specific gravity of 100 knot- and defect-free specimens of each species was determined by NIR spectroscopy in the range of 680-2500 nm. Spectral data preprocessing including standard normal variate, detrend and forward first derivative (gap size = 8, smoothing = 8) were applied to all the NIR spectra of the specimens. Partial least squares analysis including cross-validation (five groups) was performed with the air-dried specific gravity and NIR spectra. When the performance of the regression model was expressed as $R^2$ (coefficient of determination) and root mean square error of calibration (RMSEC), $R^2$ and RMSEC were 0.63 and 0.027 for larch, 0.68 and 0.033 for Korean pine, 0.62 and 0.033 for red pine, 0.76 and 0.022 for cedar, and 0.79 and 0.027 for cypress, respectively. For the calibration model, which contained all species in this study, the $R^2$ was 0.75 and the RMSEC was 0.37.

The long-term centimeter variability of active galactic nuclei: A new relation between variability timescale and black hole mass

  • Park, Jongho;Trippe, Sascha
    • The Bulletin of The Korean Astronomical Society
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    • v.41 no.1
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    • pp.36.2-37
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    • 2016
  • We study the long-term radio variability of 43 radio bright AGNs by exploiting the data base of the University of Michigan Radio Astronomy Observatory (UMRAO) monitoring program. The UMRAO database provides high quality lightcurves spanning 25 - 32 years in time at three observing frequencies, 4.8, 8, and 14.5 GHz. We model the periodograms (temporal power spectra) of the observed lightcurves as simple power-law noise (red noise, spectral power $P(f){\propto}f^{-{\beta}}$ using Monte Carlo simulations, taking into account windowing effects (red-noise leak, aliasing). The power spectra of 39 (out of 43) sources are in good agreement with the models, yielding a range in power spectral index (${\beta}$) from ${\approx}1$ to ${\approx}3$. We find a strong anti-correlation between ${\beta}$ and the fractal dimension of the lightcurves, which provides an independent check of the quality of our modelling of power spectra. We fit a Gaussian function to each flare in a given lightcurve to obtain the flare duration. We discover a correlation between ${\beta}$ and the median duration of the flares. We use the derivative of a lightcurve to obtain a characteristic variability timescale which does not depend on the assumed functional form of the flares, incomplete fitting, and so on. We find that, once the effects of relativistic Doppler boosting on the observed timescales are corrected, the variability timescales of our sources are proportional to the black hole mass to the power of ${\alpha}=1.70{\pm}0.49$. We see an indication for AGNs in different regimes of accretion rate, flat spectrum radio quasars and BL Lac objects, having different scaling relations with ${\alpha}{\approx}1$ and ${\approx}2$, respectively. We find that modelling the periodograms of four of our sources requires the assumption of broken powerlaw spectra. From simulating lightcurves as superpositions of exponential flares we conclude that strong overlap of flares leads to featureless simple power-law periodograms of AGNs at radio wavelengths in most cases (The paper is about to be submitted to ApJ).

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White organic light-emitting devices with a new DCM derivative as an efficient red-emitting material

  • Lee, Mun-Jae;Lee, Nam-Heon;Song, Jun-Ho;Park, Kyung-Min;Yoo, In-Sun;Lee, Chang-Hee;Hwang, Do-Hoon
    • 한국정보디스플레이학회:학술대회논문집
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    • 2003.07a
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    • pp.940-943
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    • 2003
  • We report the fabrication and the characterization of white organic light-emitting devices consisting of a red-emitting layer of a new DCM derivative doped into 4,4'bis[N-(1-napthyl)-N-phenyl-amino]-biphenyl (${\alpha}-NPD$) and a blue-emitting layer of 1,4-bis(2,2-diphenyl vinyl)benzene (DPVBi). The device structure is ITO/PEDOT:PSS/${\alpha}-NPD$ (50 nm)/${\alpha}-NPD$:DCM (5 nm, 0.2 %)/DPVBi (x)/Alq3 (40 nm)/LiF (0.5 nm)/Al. The electroluminescence (EL) spectra consist of two broad peaks around 470 nm and 580 nm with the spectral emission depending on the thickness of DPVBi. The device with the DPVBi thickness of about 20 nm show a white light-emission with the Commission Internationale d'Eclairage(CIE) chromaticity coordinates of (0.33, 0.36). The external quantum efficiency is 2.6% and luminous efficiency is 2.0 lm/W at a luminance of 100 $cd/m^{2}$. The maximum luminance is about 30,270 $cd/m^{2}$ at 13.9 V.

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Sonochemical Synthesis of Closed [5,6]-bridged Aziridino[70]fullerene Derivative and Self-assembled Multilayer Films

  • Yoon, Shin-Sook;Hwang, Sung-Ho;Hong, Sung-Kyu;Lee, Jeong-Ho;Ko, Weon-Bae
    • Carbon letters
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    • v.10 no.4
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    • pp.325-328
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    • 2009
  • This cycloaddition of [70]fullerene with methyl azidoacetate in benzene under ultrasonic irradiated condition afforded the closed [5,6]-bridged aziridino[70]fullerene derivative, which was unusual product of cycloaddition to the 5,6-junction of fullerene. Its structure was determined by FAB-MS, UV-vis, $^1H-$ and $^{13}C$-NMR spectral data. The closed [5,6]-bridged aziridino[70]fullerene-functionalized gold nanoparticle films were self-assembled using the layer-by-layer method on the reactive of glass slides functionalized with 3-mercaptopropyl trimethoxysilane. The functionalized glass slides were alternately soaked in the solution containing closed the [5,6]-bridged aziridino[70]fullerene and 4-aminothiophenoxide/hexanethiolate-protected gold nanoparticles. The closed [5,6]-bridged aziridino[70]fullerene-functionalized gold nanoparticle films have grown up to 5 layers depending on the immersion time. The self-assembled nanoparticle multilayer films were characterized using UV-vis spectroscopy showed that the surface plasmon band of gold at 527 nm gradually became more evident as successive layers were added to the films.

Pharmacognostical Studies on ‘Ho-Jang’ (III) -Phytochemical Study of the Rhizome of Polygonum ellipticum Migo- (호장(虎杖)의 생약학적(生藥學的) 연구(硏究) (III) -둥근잎호장근경의 성분연구-)

  • Chi, Hyung-Joon;Choi, Jung-Rim;Yu, Seung-Cho
    • Korean Journal of Pharmacognosy
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    • v.13 no.4
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    • pp.145-152
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    • 1982
  • Three species of genus Polygonum, namely P. cuspidatum, P. sachalinense and P. ellipticum are distributed in Korea. Polygonum ellipticum Migo is a perennial herb in Polygonaceous plants. The root of the plant (Polygoni Rhizoma, 'Ho-jang') have been used as laxative, diuretic and for the treatment suppurative dermatitis in the oriental medicine. As the part of the study for the comparison of the three species in their components, the authors attempted to isolate the anthraquinones and stilbene derivative from the rhizome of P. ellipticum. The methanolic extract of dried rhizome of this plant was fractionated into ether soluble and insoluble fraction and each fraction was applied to column chromatography to isolate above mentioned components. Anthraquinone derivatives were isolated first; comp. I, mp $204{\sim}205^{\circ}$ (physcion), comp. II, mp $254{\sim}255^{\circ}$ (emodin), comp. IV, mp $191{\sim}192^{\circ}$ $(emodin-8-O-{\beta}-D-glucoside)$ and comp. III, mp $280{\sim}282^{\circ}$ $({\beta}-sitosterol-glucoside)$. They were identified by chemical properties and UV, IR and NMR spectra and by the direct comparison with authentic samples. Stilbene derivative was isolated secondly; comp. V, mp $255{\sim}256^{\circ}$ which was reported to possess antibacterial and antifungal activities.

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Xylaroisopimaranin A, a New Isopimarane Derivative from an Endophytic Fungus Xylaralyce sp.

  • Bao, Shang-Song;Liu, Hui-Hui;Zhang, Xue-Qing;Liu, Cheng-Xiong;Li, Xiao-Cong;Guo, Zhi-Yong
    • Natural Product Sciences
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    • v.25 no.3
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    • pp.228-232
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    • 2019
  • Five secondary metabolites, including a new isopimarane derivative xylaroisopimaranin A (1), were isolated from the endophytic fungus Xylaralyce sp. (HM-1), and their structures were elucidated by 1D, 2D NMR, MS and CD spectra. Their bioactivities were performed to antibacterial, Hep G2 cells cytotoxicity and brine shrimp inhibition. The biological evaluation results showed that the xylaroisopimaranin A (1), xylabisboein B (2), griseofulvin (3), 5-methylmellein (4) and mellein-5-carboxlic acid (5) displayed no significant Hep G2 cells cytotoxicity and antibacterial acitivity, but they inhibited the brine shrimp with $IC_{50}$ from 0.5 to $25{\mu}mol/mL$.