• Title/Summary/Keyword: c-10,c-12 isomer

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Change in the non-extractable bound residue of TCAB as a function of aging period in soil (Aging 기간에 따른 TCAB의 추출불가 잔류물의 토양중 변화)

  • Lee, Jae-Koo;Kyung, Kee-Sung
    • Korean Journal of Environmental Agriculture
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    • v.10 no.2
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    • pp.149-157
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    • 1991
  • In order to elucidate the possible change in the non-extractable bound residue of TCAB(3,3' 4,4' - tetrachloroazobenzene) in soil as a function of aging period, uniformly ring-labelled $^{14}C-TCAB$ was treated to soil(organic matter : 1.8%), and aged for 3, 6, 9, 12 and 15 months at $21{\pm}1^{\circ}C$, respectively. $^{14}CO_2$ evolution and volatilization loss during the aging were negligible. The amounts of non-extractable bound residue of TCAB increased gradually from 7.55% in 3-month aging to 19.32% in 15-month aging. Partition data suggested no formation of polar groups in the chemical structure of TCAB. Most of $^{14}C-radioactivity$ of bound residues was present in humin in the range of 50.52 to 58.93%. The fact that the number of microorganisms in soil decreased relative to the control suggested no chance of their involvement in the formation of non-extractable bound residues. Accordingly, the increase in the non-extractable bound residue of TCAB in soil with aging period is believed to be due to the transformation of the trans isomer to the cis one which is more polar and more adsorptive than the former.

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Computational Investigation of Isomeric and Conformeric Structures of Methyl Fluoroperoxide and Fluoromethyl Fluoroperoxides (Methyl fluoroperoxide와 fuoromethyl fluoroperoxides의 conformers와 isomers 구조에 대한 이론연구)

  • Lee, Kyoung-Min;Sung, Eun-Mo
    • Journal of the Korean Chemical Society
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    • v.55 no.3
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    • pp.405-411
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    • 2011
  • The ab initio calculations for fluoromethyl fluoroperoxides have been carried out using MP2/6-311G(d,p) and B3LYP/6-311++G(d,p) method. The structural optimizations were performed for several isomers and conformers of methyl fluoroperoxide, $CH_3OOF$ and the vibrational frequencies were calculated. The most stable conformer of $CH_3OOF$ is skew form and has fairly short O-O bond distance. The trans and cis conformers have 8-12 kcal/mol higher energies than skew form and the other isomers are very unstable. The structures of $CH_2FOOF$, $CHF_2OOF$ and $CF_3OOF$ are also optimized and vibrational frequencies were calculated. These molecules also have skew forms as the lowest energy conformers. The O-O bond distances are longer and C-O bond distances are shorter than $CH_3OOF$, but the structural parameters are almost independent of the number of fluorine atoms in methyl group.

A Conformational Isomer of Soulattrolide from the Stem Bark of Calophyllum symingtonianum and Its Antibacterial Activity

  • Susanti, Deny;Attoumani, Nissad;Taher, Muhammad;Rezali, Mohd Fazlin;Sohrab, Md. Hossain;Hasan, Choudhury Mahmood;Zakaria, Zainul Amiruddin
    • Natural Product Sciences
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    • v.24 no.1
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    • pp.47-53
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    • 2018
  • Callophylum symingtonianum (Guttiferae), an evergreen broad-leaved tree that usually grows in hill forests, can be found distributed in the Malay Peninsula. The barks, leaves, flowers and seeds is often used medicinally to treat diarrhea and rheumatism. In the present study, we isolated two inophyllum type coumarins, 12-O-ethylinophyllum D (1) and iso-soulattrolide (2) from the stembarks of C. symingtonianum together with their antibacterial activity. The compounds were isolated by chromatographic methods on a silica gel. The structures were established by spectroscopic methods including UV, IR, (1D and 2D) NMR and mass spectrometry as well as by comparison with several literature sources. The antibacterial activity of those compounds was tested using a disc-diffusion assay against Staphylococcus aureus, Bacillus cereus, Escherichia coli and Pseudomonas aeruginosa. Both compound exhibited mild inhibition against P. aeruginosa with both $111{\mu}g/ml$ MIC value. Compound 2 also inhibits S. aureus with $25{\mu}g/ml$ MIC value.

A Study on the Hydrocarbon Dew Point Prediction by the Compositions of the Fuel Gas Mixtures (연료용 혼합가스 조성에 따른 탄화수소 이슬점 예측)

  • Kim, Young-Gu;Choi, Seul-Gi;Ahn, Jung-Jin;Lee, Chang-Eon
    • Journal of the Korean Institute of Gas
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    • v.19 no.3
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    • pp.44-48
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    • 2015
  • The equations of hydrocarbon dew points(DT) of the fuel gas mixtures have been derived using the multiple regression analysis. In QSDR(Quantitative Structure Dew-point Relationship), the principal descriptors are CN(average carbon number) and BI(the ratio of the branched isomers). QSDRs studied by changing the pressures of the fuel gas mixtures in the range of 100 kPa ~ 500 kPa are as follows; $$DT(^{\circ}C)=-683.1+1224.98CN-898.01CN^2+308.58CN^3-49.56CN^4+3.02CN^5-12.42BI$$ (at 100 kPa, $$R_{adj}{^2}=0.99$$) (1) $$DT(^{\circ}C)=-745.2+1351.66CN-978.1CN^2+332.7CN^3-52.96CN^4+3.20CN^5-12.84BI$$ (at 200 kPa, $$R_{adj}{^2}=0.99$$) (2) $$DT(^{\circ}C)=-795.4+1457.1CN-1051.1CN^2+357.53CN^3-57.07CN^4+3.46CN^5-13.10BI$$ (at 300 kPa, $$R_{adj}{^2}=0.99$$) (3) $$DT(^{\circ}C)=-868.1+1608.4CN-1156.0CN^2+393.38CN^3-63.06CN^4+3.85CN^5-13.39BI$$ (at 500 kPa, $$R_{adj}{^2}=0.99$$) (4) As the average carbon numbers in the mixed fuel being reduced or the ratio of the branched isomers having a boiling point lower increase, The hydrocarbon dew point becomes lower, The differences between the hydrocarbon-dew points determined by the multiple regression and those calculated by the commercial program, VMGSim are negligible.

Stereospecific Analysis of the Molecular Species of the Triacylglycerols Containing Conjugate Trienoic Acids by GLC-Mass Spectrometry in Combination with Deuteration and Pentafluorobenzyl Derivatization Techniques (중수소화(重水素化), Pentafluorobenzyl화(化)와 GLC-Mass Spectrometry에 의한 Conjugate Trienoic Acid함유(含有) Triacylglycerol 분자종(分子種)의 입체특이적 분석(分析))

  • Woo, Hyo-Kyeng;Kim, Seong-Jin;Joh, Yong-Goe
    • Journal of the Korean Applied Science and Technology
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    • v.18 no.3
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    • pp.214-232
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    • 2001
  • CTA ester bonds in TG molecules were not attacked by pancreatic lipase and lipases produced by microbes such as Candida cylindracea, Chromobacterium viscosum, Geotricum candidium, Pseudomonas fluorescens, Rhizophus delemar, R. arrhizus and Mucor miehei. An aliquot of total TG of all the seed oils and each TG fraction of the oils collected from HPLC runs were deuterated prior to partial hydrolysis with Grignard reagent, because CTA molecule was destroyed with treatment of Grignard reagent. Deuterated TG (dTG) was hydrolyzed partially to a mixture of deuterated diacylglycerols (dDG), which were subsequently reacted with (S)-(+)-1-(1-naphthyl)ethyl isocyanate to derivatize into dDG-NEUs. Purified dDG-NEUs were resolved into 1, 3-, 1, 2- and 2, 3-dDG-NEU on silica columns in tandem of HPLC using a solvent of 0.4% propan-1-o1 (containing 2% water)-hexane. An aliquot of each dDG-NEU fraction was hydrolyzed and (fatty acid-PFB ester). These derivatives showed a diagnostic carboxylate ion, $(M-1)^{-}$, as parent peak and a minor peak at m/z 196 $(PFB-CH_{3})^{-}$ on NICI mass spectra. In the mass spectra of the fatty acid-PFB esters of dTGs derived from the seed oils of T. kilirowii and M. charantia, peaks at m/z 285, 287, 289 and 317 were observed, which corresponded to $(M-1)^{-}$ of deuterized oleic acid ($d_{2}-C_{18:0}$), linoleic acid ($d_{4}-C_{18:0}$), punicic acid ($d_{6}-C_{18:0}$) and eicosamonoenoic acid ($d_{2}-C_{20:0}$), respectively. Fatty acid compositions of deuterized total TG of each oil measured by relative intensities of $(M-1)^-$ ion peaks were similar with those of intact TG of the oils by GLC. The composition of fatty acid-PFB esters of total dTG derived from the seed oils of T. kilirowii are as follows; $C_{16:0}$, 4.6 mole % (4.8 mole %, intact TG by GLC), $C_{18:0}$, 3.0 mole % (3.1 mole %), $d_{2}C_{18:0}$, 11.9 mole % (12.5 mole %, sum of $C_{18:1{\omega}9}$ and $C_{18:1{\omega}7}$), $d_{4}-C_{18:0}$, 39.3 mole % (38.9 mole %, sum of $C_{18:2{\omega}6}$ and its isomer), $d_{6}-C_{18:0}$, 41.1 mole % (40.5 mole %, sum of $C_{18:3\;9c,11t,13c}$, $C_{18:3\;9c,11t,13r}$ and $C_{18:3\;9t,11t,13c}$), $d_{2}-C_{20:0}$, 0.1 mole % (0.2 mole % of $C_{20:1{\omega}9}$). In total dTG derived from the seed oils of M. charantia, the fatty acid components are $C_{16:0}$, 1.5 mole % (1.8 mole %, intact TG by GLC), $C_{18:0}$, 12.0 mole % (12.3 mole %), $d_{2}-C_{18:0}$, 16.9 mole % (17.4 mole %, sum of $C_{18:1{\omega}9}$), $d_{4}-C_{18:0}$, 11.0 mole % (10.6 mole %, sum of $C_{18:2{\omega}6}$), $d_{6}-C_{18:0}$, 58.6 mole % (57.5 mole %, sum of $C_{18:3\;9c,11t,13t}$ and $C_{18:3\;9c,11t,13c}$). In the case of Aleurites fordii, $C_{16:0}$; 2.2 mole % (2.4 mole %, intact TG by GLC), $C_{18:0}$; 1.7 mole % (1.7 mole %), $d_{2}-C_{18:0}$; 5.5 mole % (5.4 mole %, sum of $C_{18:1{\omega}9}$), $d_{4}-C_{18:0}$ ; 8.3 mole % (8.5 mole %, sum of $C_{18:2{\omega}6}$), $d_{6}-C_{18:0}$; 82.0 mole % (81.2 mole %, sum of $C_{18:3\;9c,11t,13t}$ and $C_{18:3 9c,11t,13c})$. In the stereospecific analysis of fatty acid distribution in the TG species of the seed oils of T. kilirowii, $C_{18:3\;9c,11t,13r}$ and $C_{18:2{\omega}6}$ were mainly located at sn-2 and sn-3 position, while saturated acids were usually present at sn-1 position. And the major molecular species of $(C_{18:2{\omega}6})(C_{18:3\;9c,11t,13c})_{2}$ and $(C_{18:1{\omega}9})(C_{18:2{\omega}6})(C_{18:3\;9c,11t,13c})$ were predominantly composed of the stereoisomer of $sn-1-C_{18:2{\omega}6}$, $sn-2-C_{18:3\;9c,11t,13c}$, $sn-3-C_{18:3\;9c,11t,13c}$, and $sn-1-C_{18:1{\omega}9}$, $sn-2-C_{18:2{\omega}6}$, $sn-3-C_{18:3\;9c,11t,13c}$, respectively, and the minor TG species of $(C_{18:2{\omega}6})_{2}(C_{18:3\;9c,11t,13c})$ and $ (C_{16:0})(C_{18:3\;9c,11t,13c})_{2}$ mainly comprised the stereoisomer of $sn-1-C_{18:2{\omega}6}$, $sn-2-C_{18:2{\omega}6}$, $sn-3-C_{18:3\;9c,11t,13c}$ and $sn-1-C_{16:0}$, $sn-2-C_{18:3\;9c,11t,13c}$, $sn-3-C_{18:3\;9c,11t,13c}$. The TG of the seed oils of Momordica charantia showed that most of CTA, $C_{18:3\;9c,11t,13r}$, occurred at sn-3 position, and $C_{18:2{\omega}6}$ was concentrated at sn-1 and sn-2 compared to sn-3. Main TG species of $(C_{18:1{\omega}9})(C_{18:3\;9c,11t,13t})_{2}$ and $(C_{18:0})(C_{18:3\;9c,11t,13t})_{2}$ were consisted of the stereoisomer of $sn-1-C_{18:1{\omega}9}$, $sn-2-C_{18:3\;9c,11t,13t}$, $sn-3-C_{18:3\;9c,11t,13t}$ and $sn-1-C_{18:0}$, $sn-2-C_{18:3\;9c,11t,13t}$, $sn-3-C_{18:3\;9c,11t,13t}$, respectively, and minor TG species of $(C_{18:2{\omega}6})(C_{18:3\;9c,11t,13c})_{2}$ and $(C_{18:1{\omega}9})(C_{18:2{\omega}6})(C_{18:3\;9c,11t,13c})$ contained mostly $sn-1-C_{18:2{\omega6}$, $sn-2-C_{18:3\;9c,11t,13t}$, $sn-3-C_{18:3\;9c,11t,13t}$ and $sn-1-C_{18:1{\omega}9}$, $sn-2-C_{18:2{\omega}6}$, $sn-3-C_{18:3\;9c,11t,13t}$. The TG fraction of the seed oils of Aleurites fordii was mostly occupied with simple TG species of $(C_{18:3\;9c,11t,13t})_{3}$, along with minor species of $(C_{18:2{\omega}6})(C_{18:3\;9c,11t,13t})_{2}$, $(C_{18:1{\omega}9})(C_{18:3\;9c,11t,13t})_{2}$ and $(C_{16:0})(C_{18:3\;9c,11t,13t})$. The sterospecific species of $sn-1-C_{18:2{\omega}6}$, $sn-2-C_{18:3\;9c,11t,13t}$, sn-3-C_{18:3\;9c,11t,13t}$, $sn-1-C_{18:1{\omega}9}$, $sn-2-C_{18:3\;9c,11t,13t}$, $sn-3-C_{18:3\;9c,11t,13t}$ and $sn-1-C_{16;0}$, $sn-2-C_{18:3\;9c,11t,13t}$, $sn-3-C_{18:3\;9c,11t,13t}$ are the main stereoisomers for the species of $(C_{18:2{\omega}6})(C_{18:3\;9c,11t,13t})_2$, $(C_{18:1{\omega}9})(C_{18:3\;9c,11t,13t})_{2}$ and $(C_{16:0})(C_{18:3\;9c,11t,13t})$, respectively.

Morphological characteristics, chemical and genetic diversity of kenaf (Hibiscus cannabinus L.) genotypes

  • Ryu, Jaihyunk;Kwon, Soon-Jae;Kim, Dong-Gun;Lee, Min-Kyu;Kim, Jung Min;Jo, Yeong Deuk;Kim, Sang Hoon;Jeong, Sang Wook;Kang, Kyung-Yun;Kim, Se Won;Kim, Jin-Baek;Kang, Si-Yong
    • Journal of Plant Biotechnology
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    • v.44 no.4
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    • pp.416-430
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    • 2017
  • The kenaf plant is used widely as food and in traditional folk medicine. This study evaluated the morphological characteristics, functional compounds, and genetic diversity of 32 kenaf cultivars from a worldwide collection. We found significant differences in the functional compounds of leaves from all cultivars, including differences in levels of chlorogenic acid isomer (CAI), chlorogenic acid (CA), kaempferol glucosyl rhamnoside isomer (KGRI), kaempferol rhamnosyl xyloside (KRX), kaemperitrin (KAPT) and total phenols (TPC). The highest TPC, KAPT, CA, and KRX contents were observed in the C22 cultivars. A significant correlation was observed between flowering time and DM yield, seed yield, and four phenolic compounds (KGRI, KRX, CAI, and TPC) (P < 0.01). To assess genetic diversity, we used 80 simple sequence repeats (SSR) primer sets and identified 225 polymorphic loci in the kenaf cultivars. The polymorphism information content and genetic diversity values ranged from 0.11 to 0.79 and 12 to 0.83, with average values of 0.39 and 0.43, respectively. The cluster analysis of the SSR markers showed that the kenaf genotypes could be clearly divided into three clusters based on flowering time. Correlations analysis was conducted for the 80 SSR markers; morphological, chemical and growth traits were found for 15 marker traits (corolla, vein, petal, leaf, stem color, leaf shape, and KGRI content) with significant marker-trait correlations. These results could be used for the selection of kenaf cultivars with improved yield and functional compounds.

The Research about the Correlation Between the Spontaneous Polarization of LuFe2O4 and Behavior of Iron by Mössbauer (뫼스바우어 분광법을 이용한 LuFe2O4의 자발분극과 철 이온의 거동과의 상관관계에 대한 연구)

  • Bang, Bong-Kyu;Kim, Chul-Sung;Kim, Sung-Baek;Cheong, S.W.
    • Journal of the Korean Magnetics Society
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    • v.17 no.1
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    • pp.10-13
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    • 2007
  • Single crystalline, $LuFe_2O_4$, was grown by the floating zone method. The crystal structure was a two-dimensional layered-type rhombohedral($R\={3}mh$) structure, with an $a_0=3.440(2)\;{\AA}\;and\;a\;c_0=25.263(2)\;{\AA}$. The magnetic $N\'{e}el$ temperature($T_N$) was determined to be 250 K. The $M\"{o}ssbauer$ spectrum at 12 K was fitted with four sextet sets which was resulted from the crystal structure. The spectrm at room temperature consisted of three singlets and a doublet with the electric quadrupole splitting. The isomer shift($\delta$) value of the singlet was $0.20{\pm}0.01mm/s$ relative to the Fe metal indicating the $Fe^{3+}$ valence state, and the value of the doublet was $0.70{\pm}0.01mm/s$ indicating $Fe^{2+}$. The $M\"{o}ssbauer$ absorption area ratio between $Fe^{3+}$ and $Fe^{2+}$ at room temperature was 1:1. The doublet phase of spectra gradually disappears by up to 360 K. At 360 K, the spectrum shows the singlet phase. We suggested that the spontaneous polarization effect of $LuFe_2O_4$ was caused by the change of iron behavior.

Participation of nitric oxide pathways in interleukin 1$\beta$-induced mechanical allodynia in the orofacial area of rats

  • Kang, Young-M.;Lee, Min-K.;Yang, Gwi-Y.;Bae, Yong-C.;Ahn, Dong-K.
    • International Journal of Oral Biology
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    • v.34 no.1
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    • pp.1-6
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    • 2009
  • The purpose of the present study was to examine the role of peripheral nitric oxide (NO) pathways in the onset of interleukin (IL)-1$\beta$-induced mechanical allodynia in the orofacial area. Experiments were carried out on male Sprague-Dawley rats weighing 230-280 gm and surgical procedures were performed under pentobarbital sodium (40 mg/kg, i.p.). Under anesthesia, a polyethylene tube (PE10) was implanted into the subcutaneous area of one vibrissa pad, which enabled the injection of IL-1$\beta$ or other chemicals. We subcutaneously injected 50 ${\mu}L$ of IL-1$\beta$ into a vibrissa pad through the implanted polyethylene tube with a 100 ${\mu}L$ Hamilton syringe. After the administration of 0.01, 0.1, 1, or 10 pg of IL-1$\beta$, withdrawal behavioral responses were examined. The subcutaneous injection of saline had no effects on the air-puff thresholds. Following the subcutaneous injection of 0.01, 0.1, 1, or 10 pg of IL-1$\beta$, the threshold of air puffs decreased significantly to 12 $\pm$ 3, 7 $\pm$ 2, 5 $\pm$ 1, or 5 $\pm$ 1 psi, respectively, in a dose dependent manner. Pretreatment with L-NAME, a nitric oxide synthase (NOS) inhibitor, blocked IL-1$\beta$-induced mechanical allodynia. However, neither D-NAME, an inactive isomer of L-NAME, nor vehicle affected the IL-1$\beta$-induced mechanical allodynia. Subcutaneous injection of IL-1$\beta$ increased the number of c-fos-like immunoreactive neurons, whereas pretreatment with L-NAME decreased this number, in the trigeminal caudal nucleus. These results suggest that pro-inflammatory cytokines and NO are important contributors to the pathogenesis of persistent and exaggerated IL-1$\beta$-induced pain states. Based on these observations, peripheral application of NOS inhibitors may be of therapeutic value in treating pain disorders in the clinic.

Development and Validation of an Analytical Method for Betanine and Isobetanine in Processed Food Products Labeled with Beet Red

  • Kang, Hyun-Hee;Yun, Choong-In;Lee, Gayeong;Shin, Jae-Wook;Kim, Young-Jun
    • Journal of Food Hygiene and Safety
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    • v.36 no.5
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    • pp.376-381
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    • 2021
  • Red beet (Beta vulgaris L.) is a root vegetable and a popular functional food ingredient of dark red-purple appearance due largely to betacyanins, principally betanine (75-95%) and its isomer, isobetanine (15-45%). This study developed an analytical method for beet red in terms of betanine and isobetanine in processed food products labeled with beet red as a food additive. High Performance Liquid Chromatography-Diode Array Detector (HPLC-DAD) was used with a C18 column. Linearity, limit of detection (LOD), limit of quantitation (LOQ), accuracy, precision and uncertainty in measurement were calculated for method validation. Matrix-matched calibration was applied to the candy, ice cream, and cocoa product, respectively, and R2 was ≥0.9998, showing a high level of linearity. The LOD and LOQ were 0.16 to 0.32 and 0.48 to 0.97 mg/L, respectively. As a result of repeated intra-day and interday experiments to validate the accuracy and precision of the analytical method, the recovery rates were 96.0-103.1% and 100.0-102.2%, respectively and the RSD% was 0.5-3.3% and 0.9-3.8%, respectively. Moreover, the measurement uncertainty was estimated to be 1.71-12.43% depending on the matrix and the measured concentration. In this study, betanine and isobetanine were quantified (8.4-3,823.4 mg/kg) by applying the developed analytical method to processed food products (n= 26; e.g., candy, ice cream, and other processed foods) labeled with beet red as a food additive.

Crystallization and Magnetic Properties of Iron Doped La-Ba-Mn-O (Fe이 치환된 LaBaMnO계 산화물의 중성자 회절 및 Messbauer분광학연구)

  • Choi, Kang-Ryong;Kim, Sam-Jin;Shim, In-Bo;Kim, Chul-Sung
    • Journal of the Korean Magnetics Society
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    • v.14 no.1
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    • pp.38-44
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    • 2004
  • The iron doped colossal magnetoresistance materials with La-Ba-Mn-O perovskites structure have been synthesized by chemical reaction of sol-gel methods. Their crystallographic and magnetic properties have been studied with x-ray diffraction, VSM, RBS, Mossbauer spectroscopy, and magnetoresistance measurements. The crystal structure of the La$\_$0.67/Ba$\_$0.33/Mn$\_$0.99/Fe$\_$0.01/ $O_3$ at room temperature was determined to be orthorhombic of Pnma. The lattice parameters a$\_$0/ and c$\_$0/ increased gradually, but b$\_$0/ deceased with increase of iron substitution. The magnetization and coercivity deceased, also the Curie temperature decreased from 360 K as x increased from 0.00 to 0.05. Magnetoresistence measurements were carried out, and the maximum MR ($\Delta$$\rho$/$\rho$(0)) was observed at 281 K, about 9.5 % in 10 kOe. The temperature of maximum resistance (R$\_$MAX/) decreased with increasing substitution of Fe ions and a semiconductor-metal transition temperature (T$\_$SC-M/) decreased too. This phenomena show that ferromagnetic transition temperature decreased by substituting Fe for Mn ions, it decreases double exchange interaction. This result accords with magnetic structure of neutron diffraction. Mossbauer spectra of La$\_$0.67/Ba$\_$0.33/Mn$\_$0.99/Fe$\_$0.01/ $O_3$were taken at various temperatures ranging from 15 to 350 K. With lowering temperature of the sample, two magnetic phases were increased and finally it showed the two sharp sextets of spectra at 15 K. The isomer shift at all temperature range is about 0.3 mm/s relative to Fe metal, which means that both Fe ions are Fe$\^$3+/ states.Fe$\^$3+/ states.