• Title/Summary/Keyword: Derivative spectra

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Characterization of glasses composed of PbO, ZnO, MgO, and B2O3 in terms of their structural, optical, and gamma ray shielding properties

  • Aljawhara H. Almuqrin;M.I. Sayyed;Ashok Kumar;U. Rilwan
    • Nuclear Engineering and Technology
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    • v.56 no.7
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    • pp.2842-2849
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    • 2024
  • The amorphous glasses containing PbO, ZnO, MgO, and B2O3 have been fabricated using the melt quenching technique. The structural properties have been analysed using the Fourier-transform infrared (FTIR) and Raman spectroscopy. Derivative of Absorption Spectra Fitting (DASF) method have been used to estimate the band gap energy from the UV-Vis absorption data which decreases from 3.02 eV to 2.66 eV with increasing the concentration of the PbO.The four glass samples 0.284 and 0.826 MeV showed unique variations in terms of gamma attenuation ability. LZMB4 glass sample proved to be the mist effective in terms of shielding of gamma radiation as it requires little distance compared to LZMB3, LZMB2 and LZMB1 to attenuate. RPE revealed a raise with increase in the thickness of the material and reduces as the energy raises. TF is superior in LZMB1 compared to LZMB2, LZMB3 and LZMB4, confirming that, LZMB4 will attenuate better. The ZEff of the materials was seen falling as the energy increases, confirming that the linear attenuation coefficient of the glass materials decreases when the energy is increased. The results confirmed that, glass material LZMB4 is the best option especially for gamma radiation shielding applications compared to LZMB3, followed by LZMB2, then LZMB1.

The study of quantitative analytical method for pH and moisture of Hanji record paper using non-destructive FT-NIR spectroscopy (비파괴 분석 방법인 푸리에 변환 근적외선 분광 분석을 이용한 한지 기록물의 산성도 및 함수율 정량 분석 연구)

  • Shin, Yong-Min;Park, Soung-Be;Lee, Chang-Yong;Kim, Chan-Bong;Lee, Seong-Uk;Cho, Won-Bo;Kim, Hyo-Jin
    • Analytical Science and Technology
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    • v.25 no.2
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    • pp.121-126
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    • 2012
  • It is essential to evaluate the quality of Hanji record paper without damaging the record paper by previous destructive methods. The samples were Hanji record paper produced in the 1900s. Near-infrared (NIR) spectrometer was used as a non destructive method for evaluating the quality of record papers. Fourier transform (FT) spectrometer was used with 12,500 to 4,000 $cm^{-1}$ wavenumber range for quantitative analysis and it has high accuracy and good signal-to-noise ratio. The acidity and moisture content of Hanji record paper were measured by integrating sphere as diffuse reflectance type. The acidity (pH) of chemical factors as a quality evaluated factor of Hanji was correlated to NIR spectrum. The NIR spectrum was pretreated to obtain the coefficients of optimum correlation. Multiplicative scatter correction (MSC) and First derivative of Savitzky-Golay were used as pretreated methods. The coefficients of optimum correlation were calculated by PLSR (partial least square regression). The correlation coefficients ($R^2$) of acidity had 0.92 on NIR spectra without pretreatment. Also the standard error of prediction (SEP) of pH was 0.24. And then the NIR spectra with pretreatment would have better correlation coefficient ($R^2$ = 0.98) and 0.19 as SEP on pH. For moisture contents, the linearity correlation without pretreatment was higher than the case with pretreatment (MSC, $1^{st}$ derivative). As the best result, the $R^2$ was 0.99 and SEP was 0.45. This indicates that it is highly proper to evaluate the quality of Hanji record papers speedily with integrated sphere and FT NIR analyzer as a non-destructive method.

Survey of Contaminants of 3-MCPD and 1,3-DCP in Soy Sauce Using GC/MSD (GC/MSD를 이용한 간장 중 3-MCPD와 1,3-DCP의 오염도 조사)

  • Kim Myung-Gill;Kim Young-Sug;Lee Myung-Jin;Kim Jae-Kwan;Kim Kyung-A;Park Eun-Mi;Ko Hoan-Uck;Son Jin-Seok
    • Journal of Food Hygiene and Safety
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    • v.21 no.3
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    • pp.153-158
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    • 2006
  • The contamination levels of 3-MCPD(3-Monochloropropane-1,2-diol) and 1,3-DCP(1,3-Dichloro-2-Propanol) in soy sauce, sauces was monitored. 105 samples were collected from June 2005 to August 2005 in Gyeonggi-do. 3-MCPD and 1,3-DCP were analyzed by GCMSD. As results, the detection range of 3-MCPD concentration was between 0.02 mg/kg and 0.27 mg/kg in soy sauce. However any samples were not detected with 1,3-DCP. The contaminated rates of 3-MCPD in soy sauce was 17.1%. Soy sauce is the representative vegetable protein hydrolyzed food. The reliable analytical method f3r the toxic 3-MCPD and 1,3-DCP in Soy sauce has been studied. The derivatization studies of 3-MCPD and 1,3-DCP were performed mainly as Silylation with BSA(N,O-Bis(trimethylsilyl)-acetamide). The retention times of derivative, BSA-MCPD, BSA-DCP were 11.30 and 10.12 minutes.

Inhibitory Activity of Garlic Fermented by Pediococcus pentosaceus KACC 91419 against Antibiotic-resistant Pathogens

  • Ham, Jun-Sang;Lee, Seung-Gyu;Kim, Min-Kyung;Oh, Mi-Hwa;Jeong, Seok-Geun;Kim, Dong-Hun;Lee, Se-Hyung;Chae, Jong-Pyo;Lee, Ji-Yoon;Kang, Dae-Kyung
    • Asian-Australasian Journal of Animal Sciences
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    • v.23 no.9
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    • pp.1236-1243
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    • 2010
  • The aim of this study was to screen lactic acid bacteria for the fermentation of garlic and to assess the increase in inhibitory activity of garlic fermented against antibiotic-resistant pathogens for use as an animal feed supplement. We screened 45 strains of lactobacillus for the fermentation of garlic. Of these strains, 23 showed similar growth rates with or without allicin. Cultures of the 23 strains were mixed with an equivalent amount of garlic juice and incubated overnight at $37^{\circ}C$. The three strains with the lowest pH values were Lactobacillus paracasei KCTC 3169, L5 strain, and L. reuteri SW. Garlic juice fermented by the L5 strain more strongly inhibited antibiotic-resistant pathogenic bacteria than L. paracasei KCTC 3169, L. reuteri SW, or garlic juice itself. By examining carbohydrate utilization, morphologic properties and 16S rRNA gene sequences, we identified the L5 strain as Pediococcus pentosaceus and deposited it in the name of P. pentosaceus KACC 91419 into the Korea Agricultural Culture Collection. To identify the antimicrobial compound from the garlic filtrate fermented by P. pentosaceus KACC 91419, we fractionated P. pentosaceus KACC 91419 culture on a C18 column and checked the antimicrobial activity of fractions A6 to A10. Only fraction A9 showed inhibitory activity on Staphylococcus aureus. Comparing the mass spectra of the fractions with and without antimicrobial activity, we observed a single dominant product ion (m/z 157.99) from the fraction showing antimicrobial activity. Its molecular mass (157.99) was 2 atomic mass units less than that of allicin (162.02). This suggests that allicin might be converted to its derivative, which has antimicrobial activity, during fermentation by P. pentosaceus KACC 91419.

Reviews in Infrared Spectroscopy and Computational Chemistry to Reveal Rhizospheric Interactions among Organic Acids, Oxyanions and Metal oxides: Fundamental Principles and Spectrum Processing (유기산, 산화음이온 및 금속 산화물 간의 근권 내 상호작용 연구를 위한 계산화학과 적외선 분광학에 관한 총설: 기본적인 원리와 스펙트럼 처리)

  • Han, Junho;Ro, Hee-Myong
    • Journal of Korean Society of Environmental Engineers
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    • v.39 no.7
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    • pp.426-439
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    • 2017
  • This review summarizes advantage and limitation in infrared spectroscopy and computational chemistry to understand rhizospheric interaction among organic acids, oxyanions and metal oxides. Since organic acids and metal oxides determine dynamics of oxyanions in the soil environment, knowledge of fundamental mechanisms is a prerequisite for understanding the interactions at soil-water interface. Attenuated total reflectance-fourier transform infrared spectroscopy (ATR-FTIR) is a powerful tool to measure the interfacial reactions. However, the ATR-FTIR measurements are abstruse, because the optical characteristics for measurements are variable depending on the experimental setup. In addition, spectral overlapping is a primary obstacle to the analysis of the interfacial reaction; thus, it is essential to detect and to deconvolute bands for signal interpretation. In this review, we expained the fundamental principle for spectrum processing, and four band identification methods, such as derivative spectroscopy, two-dimension correlation spectroscopy, multivariate curve resolution, and computational chemistry with example of aqueous phosphate speciation. As a result, spectrum processing and computational chemistry improved interpretation and spectral deconvolution of overlapped spectra in relatively simple systems, but it was still unsatisfactory for the problems in more complexed system like nature. Nevertheless, we believed that our challenge would contribute practically to develop adequate analytical procedure, signal processing and protocols that could help to improve interpretation and to understand the interfacial interactions of oxyanions in natural systems.

Chromophoric Structures of Alkali Lignin (알카리리그닌의 착색구조(着色構造)에 관(關)한 연구(硏究))

  • Yoon, Byung-Ho
    • Journal of the Korean Wood Science and Technology
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    • v.9 no.2
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    • pp.1-30
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    • 1981
  • To investigate the formation of the chromophoric structures taking place during the alkaline pulping vanillyl alcohol [${\alpha}-^{13}C$] guaiacylglycerol-${\beta}$-aryl ether [${\alpha}-^{13}C$ or ${\gamma}-^{13}C$] and phenylcoumarn [${\alpha}-^{13}C$] units as model lignins were treated with 1N sodium hydroxide at 165$^{\circ}C$ for 1.5-3 hours. From the chemical structures of the isolated products and $^{13}C$-NMR Spectra of the reaction mixtures, the main conclusion is as follows; 1) Condensation products of II-1-5 were identified from the reaction mixture of vanillyl alcohol treated with alkali and theses compounds afforded the quinonmethide structure(Fig. 3-7) by air oxidation. 2) Treatment of guaiacylglycerol-${\beta}$-aryl ether unit gave ${\varphi}$-aryl-${\beta}$-aroxy quinone structures (IV-15, IV-16), diguaiacyl-1, 4-penta-diene ${\beta}$, ${\beta}$'-diaroxyl distyrene methane unit, ${\beta}$-aroxy distyrene methane. These distyrene methanes of the compounds are transformed by air oxidation into the corresponding o-quinonemethide units (V-8, V-9). 3) On the treatment of phenylcoumaran, the stilbene derivative was formed in quantitative yield and dimerized(VI-11) in preference to oxidation to the corresponding extended quinone structures. The chromophoric structures taken place during the alkaline treatment of the model lignins are thought to be some important types in alkaline pulping on the basis of the reaction mechanism in this experiment.

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Quantification of Protein and Amylose Contents by Near Infrared Reflectance Spectroscopy in Aroma Rice (근적외선 분광분석법을 이용한 향미벼의 아밀로스 및 단백질 정량분석)

  • Kim, Jeong-Soon;Song, Mi-Hee;Choi, Jae-Eul;Lee, Hee-Bong;Ahn, Sang-Nag
    • Korean Journal of Food Science and Technology
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    • v.40 no.6
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    • pp.603-610
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    • 2008
  • The principal objective of current study was to evaluate the potential of near infrared reflectance spectroscopy (NIRS) as a non-destructive method for the prediction of the amylose and protein contents of un-hulled and brown rice in broad-based calibration models. The average amylose and protein content of 75 rice accessions were 20.3% and 7.1%, respectively. Additionally, the range of amylose and protein content were 16.6-24.5% and 3.8-9.3%, respectively. In total, 79 rice germplasms representing a wide range of chemical characteristics, variable physical properties, and origins were scanned via NIRS for calibration and validation equations. The un-hulled and brown rice samples evidenced distinctly different patterns in a wavelength range from 1,440 nm to 2,400 nm in the original NIR spectra. The optimal performance calibration model could be obtained by MPLS (modified partial least squares) using the first derivative method (1:4:4:1) for un-hulled rice and the second derivative method (2:4:4:1) for brown rice. The correlation coefficients $(r^2)$ and standard error of calibration (SEC) of protein and amylose contents for the un-hulled rice were 0.86, 2.48, and 0.84, 1.13, respectively. The $r^2$ and SEC of protein and amylose content for brown rice were 0.95, 1.09 and 0.94, 0.42, respectively. The results of this study suggest that the NIRS technique could be utilized as a routine procedure for the quantification of protein and amylose contents in large accessions of un-hulled rice germplasms.

Influences of the Composition on Spectroscopic Characteristics of AlxGa1-xN Thin Films (AlxGa1-xN 박막의 조성이 분광학적 특성에 미치는 영향)

  • Kim, Dae Jung;Kim, Bong Jin;Kim, Duk Hyeon;Lee, Jong Won
    • New Physics: Sae Mulli
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    • v.68 no.12
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    • pp.1281-1287
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    • 2018
  • In this study, $Al_xGa_{1-x}N$ films were grown on (0001) sapphire substrates by using metal-organic chemical vapor deposition (MOCVD). The crystallinity of the grown films was examined with X-ray diffraction (XRD) patterns. The surfaces and the chemical properties of the $Al_xGa_{1-x}N$ films were investigated using atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS), respectively. The optical properties of the $Al_xGa_{1-x}N$ film were studied in a wide photon energy range between 2.0 ~ 8.7 eV by using spectroscopic ellipsometry (SE) at room temperature. The data obtained by using SE were analyzed to find the critical points of the pseudodielectric function spectra, $<{\varepsilon}(E)>=<{\varepsilon}_1(E)>+i<{\varepsilon}_2(E)>$. In addition, the second derivative spectra, $d^2<{\varepsilon}(E)>/dE^2$, of the pseudodielectric function for the $Al_xGa_{1-x}N$ films were numerically calculated to determine the critical points (CPs), such as the $E_0$, $E_1$, and $E_2$ structure. For the four samples (x = 0.18, 0.21, 0.25, 0.29) between a composition of x = 0.18 and x = 0.29, changes in the critical points (blue-shifts) with increasing Al composition at 300 K for the $Al_xGa_{1-x}N$ film were observed via ellipsometric measurements for the first time.

Development of Measuring Technique for Milk Composition by Using Visible-Near Infrared Spectroscopy (가시광선-근적외선 분광법을 이용한 유성분 측정 기술 개발)

  • Choi, Chang-Hyun;Yun, Hyun-Woong;Kim, Yong-Joo
    • Food Science and Preservation
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    • v.19 no.1
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    • pp.95-103
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    • 2012
  • The objective of this study was to develop models for the predict of the milk properties (fat, protein, SNF, lactose, MUN) of unhomogenized milk using the visible and near-infrared (NIR) spectroscopic technique. A total of 180 milk samples were collected from dairy farms. To determine optimal measurement temperature, the temperatures of the milk samples were kept at three levels ($5^{\circ}C$, $20^{\circ}C$, and $40^{\circ}C$). A spectrophotometer was used to measure the reflectance spectra of the milk samples. Multilinear-regression (MLR) models with stepwise method were developed for the selection of the optimal wavelength. The preprocessing methods were used to minimize the spectroscopic noise, and the partial-least-square (PLS) models were developed to prediction of the milk properties of the unhomogenized milk. The PLS results showed that there was a good correlation between the predicted and measured milk properties of the samples at $40^{\circ}C$ and at 400~2,500 nm. The optimal-wavelength range of fat and protein were 1,600~1,800 nm, and normalization improved the prediction performance. The SNF and lactose were optimized at 1,600~1,900 nm, and the MUN at 600~800 nm. The best preprocessing method for SNF, lactose, and MUN turned out to be smoothing, MSC, and second derivative. The Correlation coefficients between the predicted and measured fat, protein, SNF, lactose, and MUN were 0.98, 0.90, 0.82, 0.75, and 0.61, respectively. The study results indicate that the models can be used to assess milk quality.