• Title/Summary/Keyword: Structural elucidation

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Utilization of fish gut analysis to elucidation of microcrustacean species composition (cladoceran and copepoda) in a shallow and vegetated lake (Jangcheok Lake, South Korea)

  • Choi, Jong-Yun;Jeong, Kwang-Seuk;Lee, Eunkyu;Choi, Kee-Ryong;Joo, Gea-Jae
    • Journal of Ecology and Environment
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    • v.37 no.3
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    • pp.147-153
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    • 2014
  • Structural heterogeneity results in different spatial distributions of microcrustaceans. Thus, in ecosystems with excessive macrophyte development, it may be difficult to determine the microcrustacean species composition. Given the importance of microcrustaceans in the food web, the elucidation of microcrustacean diversity is essential. In vegetated habitats, bluegill sunfish can prey on microcrustaceans, and therefore have a potential role as microcrustacean monitoring agents. In the present study, we compared microcrustacean species compositions in the field with those in the guts of bluegill, in Jangcheok Lake, South Korea. Our results showed that the number of microcrustacean species was higher in bluegill guts than in the field. Further, microcrustacean species, such as Daphnia galeata, Graptoleveris testudinaria, Leydigia leydigii, Rhynchotalona sp., and Simocephalus exponisus, were found only in bluegill guts. Our findings verify the validity of the fish gut analysis to monitor microcrustacean species compositions and to clarify spatial distributions of microcrustacean species in structurally heterogeneous ecosystems with excessive macrophyte development.

A New Pyranoxanthone Inophyllin B from Calophyllum inophyllum

  • Ee, G.C.L.;Kua, A.S.M.;Cheow, Y.L.;Lim, C.K.;Jong, V.;Rahmani, M.
    • Natural Product Sciences
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    • v.10 no.5
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    • pp.220-222
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    • 2004
  • A new prenylated pyranoxanthone, inophyllin B (1), was isolated from the roots of Calophyllum inophyllum (Guttiferae). Together with this compound was also isolated the known pyranoxanthone brasilixanthone B (2) and two common triterpenes friedelin (3) and sitosterol (4). Structural elucidations of these compounds were achieved through $^1H,\;^{13}C$, DEPT, COSY, HSQC and HMBC experiments. The molecular mass was determined using MS techniques. The crude extract indicated weak toxicity to the larvae of Aedes aegypti. We report here the isolation, structural elucidation and bioassay data for Inophyllin B and brasilixanthone B.

Structural Elucidation of Epicatechin $(4{\rightarrow}7)$ 5,8,3'4'-tetrahydroxy-(2R,3R)-flavan-3-ol Isolated from the Bark of Korean Pine Tree (Pinus densifora)

  • Lim, Yoong-Ho;Yong, Yeun-Joong;Oh, Sung-Jin;Song, Hong-Keun
    • Applied Biological Chemistry
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    • v.41 no.4
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    • pp.265-269
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    • 1998
  • Several flavonoid dimers were isolated and elucidated from the bark of Korean pine tree (Pinus densiflora). One of them was postulated to be a compound, epicatechin $(4{\rightarrow}7)$ 5,8,3',4'-tetrahydroxy-(2R,3R)-flavan-3-ol, whose structural determination was carried out by diverse NMR techniques.

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The 1H and 13C NMR Data of 19 Methoxyflavonol Derivatives

  • Park, Young-Hee;Moon, Byoung-Ho;Lee, Eun-Jung;Hong, Sun-Hee;Lee, Sun-Hee;Lim, Yoong-Ho
    • Bulletin of the Korean Chemical Society
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    • v.29 no.1
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    • pp.81-84
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    • 2008
  • In the present study, we report 1H and 13C NMR data of 19 methoxyflavonol derivatives with different substitution patterns on A- and B-ring. In addition, the influence of the methoxy substituents in A- and B-ring on the 1H and 13C NMR chemical shifts is discussed: the 1H and 13C chemical shifts of and the number of methoxyl groups provided information allowing elimination of many structural isomers from consideration and in certain instances greatly simplified structural elucidation.

SSI effects on the redistribution of seismic forces in one-storey R/C buildings

  • Askouni, Paraskevi K.;Karabalis, Dimitris L.
    • Earthquakes and Structures
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    • v.20 no.3
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    • pp.261-278
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    • 2021
  • In the current work, a series of seismic analyses of one-storey asymmetrical reinforced concrete (R/C) framed buildings is accomplished while the effect of soil deformability on the structural response is investigated. A comparison is performed between the simplified elastic behavior of R/C elements according to the structural regulations' instructions to the possible non-linear behavior of R/C elements under actual circumstances. The target of the time history analyses is the elucidation of the Soil-Structure Interaction (SSI) effect in the seismic behavior of common R/C structures by examining the possible elastic or elastoplastic behavior of R/C sections because of the redistribution of the internal forces by employing a realistic damage index. The conclusions acquired from the presented elastic and elastoplastic analyses supply practical guidelines towards the safer design of structures.

Tandem Mass Spectrometry of N-linked Glycans from Human Immunoglobulin G (다중 질량 분석법을 이용한 인체 면역글로불린 G의 N-연결 글라이칸 분석)

  • Joo, Hwang-Soo;Kim, Yun-Gon;Jang, Kyoung-Soon;Kim, Byung-Gee
    • KSBB Journal
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    • v.22 no.4
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    • pp.234-238
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    • 2007
  • We used electrospary ionization ion trap tandem mass spectrometry (ESI-IT tandem MS) to structural elucidation of three different biantennary-type glycans having zero, one, two galactoses (G0, G1, G2). The highest fragment ion in the MS/MS spectra of three glycans was produced by 0,2-ring cleavage of fucose-linked N-acetylglucosamine (GlcNAc) in reducing end. The fragment ions both from precursor ions and 0,2-ring cleaved ions ($^{0.2}An$; n=5 for G0, n=6 for G1 and G2) were not overlapped each other. As results of $MS^n$ analyses, tandem fragmentation trees of each glycans were generated and 2,4-ring cleavages ($^{2.4}A_6$) were occurred in GlcNAc linked to reducing end GlcNAc. This structural elucidation and fragmentation study of N-linked glycans by tandem mass spectrometry can be applied to structural analysis of more complicated glycans.

Identification of ML106 Phase 1 Metabolites in Human Liver Microsomes Using High-Resolution Quadrupole-Orbitrap Mass Spectrometry

  • Jo, Jun Hyeon;Nam, WoongShik;Kim, Sunjoo;Lee, Doohyun;Min, Kyung Hoon;Lee, Taeho;Lee, Sangkyu
    • Mass Spectrometry Letters
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    • v.7 no.3
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    • pp.69-73
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    • 2016
  • High-resolution quadrupole-Orbitrap mass spectrometry (HRMS), with high-resolution (> 10,000 at full-width at half-maximum) and accurate mass (< 5 ppm deviation) capabilities, plays an important role in the structural elucidation of drug metabolites in the pharmaceutical industry. ML106, a derivative of imidazobenzimidazole, decreased melanin content and tyrosinase activity in a dose-dependent manner. Here, we investigated the phase 1 metabolic pathway of ML106 using HRMS in human liver microsomes (HLMs) and recombinant cDNA-expressed cytochrome P450 (CYP). After the incubation of ML106 with pooled HLMs and recombinant cDNA-expressed CYP in the presence of NADPH, five phase 1 metabolites, including three mono-hydroxylated metabolites (M1-3) and two di-hydroxylated metabolites (M4 and M5), were investigated. The metabolite structures were postulated by the elucidation of protonated mass spectra using HRMS. The CYP isoforms related to the hydroxylation of ML106 were studied after incubation with recombinant cDNA-expressed CYP. Here, we identified the phase 1 metabolic pathway of ML106 induced by CYP in HLMs.

Quantitative aspects of the hydrolysis of ginseng saponins: Application in HPLC-MS analysis of herbal products

  • Abashev, Mikhail;Stekolshchikova, Elena;Stavrianidi, Andrey
    • Journal of Ginseng Research
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    • v.45 no.2
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    • pp.246-253
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    • 2021
  • Background: Ginseng is one of the most valuable herbal supplements. It is challenging to perform quality control of ginseng products due to the diversity of bioactive saponins in their composition. Acid or alkaline hydrolysis is often used for the structural elucidation of these saponins and sugars in their side chains. Complete transformation of the original ginsenosides into their aglycones during the hydrolysis is one of the ways to determine a total saponin group content. The main hurdle of this approach is the formation of various by-products that was reported by many authors. Methods: Separate HPLC assessment of the total protopanaxadiol, protopanaxatriol and ocotillol ginsenoside contents is a viable alternative to the determination of characteristic biomarkers of these saponin groups, such as ginsenoside Rf and pseudoginsenoside F11, which are commonly used for authentication of P. ginseng Meyer and P. quinquefolius L. samples respectively. Moreover, total ginsenoside content is an ideal aggregated parameter for standardization and quality control of ginseng-based medicines, because it can be directly applied for saponin dosage calculation. Results: Different hydrolysis conditions were tested to develop accurate quantification method for the elucidation of total ginsenoside contents in herbal products. Linearity, limits of quantification, limits of detection, accuracy and precision were evaluated for the developed HPLC-MS method. Conclusion: Alkaline hydrolysis results in fewer by-products than sugar elimination in acidic conditions. An equimolar response, as a key parameter for quantification, was established for several major ginsenosides. The developed approach has shown acceptable results in the analysis of several different herbal products.

Structural Characteristics of Cell Walls of Forage Grasses - Their Nutritional Evaluation for Ruminants - - Review -

  • Iiyama, Kenji;Tuyet Lam, Thi Bach
    • Asian-Australasian Journal of Animal Sciences
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    • v.14 no.6
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    • pp.862-879
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    • 2001
  • The walls of all higher plants are organized as a cellulosic, fibrillar phase embedded in a matrix phase composed of non-cellulosic polysaccharides, some proteins and, in most secondary walls, lignin. At the effective utilization of plant biomass, qualitative and quantitative analyses of plant cell walls are essential. Structural features of individual components are being clarified using newly developed equipments and techniques. However, "empirical" procedures to elucidate plant cell walls, which are not due to scientific definition of components, are still applied in some fields. These procedures may give misunderstanding for the effective utilization of plant biomass. In addition, interesting the investigation of wall organization is moving towards not only qualitatively characterisation, but also quantitation of the associations between wall components. These involve polysaccharide-polysaccharide and polysaccharide-lignin cross-links. Investigation of the associations is being done in order to understand the chemical structure, organization and biosynthesis of the cell wall and physiology of the plants. Procedures for qualitative and quantitative analyses based on the definition of cell wall components are reviewed focussing in nutritional elucidation of forage grasses by ruminant microorganisms.

Structural Elucidation and Magnetical Properties of La0.5Ca0.5MnO3 Powders and Pellets (La0.5Ca0.5MnO3 분말과 Pellet의 구조분석 및 자기적 성질)

  • Jung, Miewon;Lee, Jiyun;Kim, Hyunjung
    • Korean Chemical Engineering Research
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    • v.43 no.1
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    • pp.71-75
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    • 2005
  • $La_{0.5}Ca_{0.5}MnO_3$ colossal magnetoresistance (CMR) powders and pellets were synthesized by sol-gel process. The structural changes were investigated by FT-IR, CP/MAS $^{13}C$ solid state NMR spectroscopy and XRD. The particle characterization, microstructure of sintered samples, and cation composition of gel powders were studied by FE-SEM/EDS, TEM and ICP-AES. The structure refinement reveals that $La_{0.5}Ca_{0.5}MnO_3$ has orthorhombic, perovskite type unit cell. The magnetic characterizations were identified through measurement of magnetic moment by VSM.