• Title/Summary/Keyword: $^{11}$B NMR

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Characteristics of the Multi-Hydrogen Bonded Systems: DFT Description on the Solvated Electrons

  • Xu, Jun
    • Bulletin of the Korean Chemical Society
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    • v.34 no.11
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    • pp.3265-3268
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    • 2013
  • The multi-hydrogen bonded systems with the solvated electrons are investigated at the B3LYP/6-311++$G^{**}$ basis set level. The symmetrical linear geometrical characteristic is common for the dimer systems, while for the tetramer system, the tetrahedron configuration is generated. The NBO charge analyses demonstrate that the multi-hydrogen-multi-electron (mH-ne) coupling exist in these anion systems, as is supported by the electrostatic potential and the molecular orbital analyses. The positive chemical shift value of the central hydrogen ($H_c$) and the negative chemical shift value of the terminal hydrogen ($H_t$) indicate that the $H_c$ is electronegative while the $H_t$ is electropositive, respectively. Strong coupling between two central hydrogen atoms is demonstrated by the large spin-spin coupling constants. The solvated electron donates significant contributions for the stability of these systems.

Flavonoids from Iris spuria (Zeal) Cultivated in Egypt

  • Singab, Abdel Nasser B.
    • Archives of Pharmacal Research
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    • v.27 no.10
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    • pp.1023-1028
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    • 2004
  • A new 12a-dehydrorotenoid 1, 11-dihydroxy-9, 10-methylenedioxy-12a-dehydrorotenoid (1), together with a new isoflavonoid glycoside tectorigenin-7-O-${\beta}$-glucosyl-4'-O-${\beta}$-glucoside (3), were isolated and identified from the rhizomes of I. spuria (Zeal). In addition, 4 known compounds, tectorigenin (2) tectorigenin-7-O-${\beta}$-glucosyl $(1{\leftrightarrow}6)$ glucoside (4), tectoridin (a tectorigenin- 7-O-${\beta}$-glucoside) (5) and tectorigenin-4'-O-${\beta}$-glucoside (6) were isolated and identified for the first time from this plant. The structures of the isolated compounds were determined by spectroscopic methods (UV, IR, $^1H,\;^{13}C$NMR, DEPT, HMQC, NOESY, and HMBC experiments and MS spectrometry) and by comparison with literature data of known compounds. Compounds 2, 4, 5, and 6 are reported for the first time from this plant through the present study.

Isolation and Identification of Antimicrobial Compounds against Helicobacter pylori from Rosemary (Rosmarinus officinalis L.) Extracts (로즈마리(Rosmarinus officinalis L.) 추출물로부터 Helicobacter pylori에 대한 항균물질 분리 및 동정)

  • Yoon, So-Jung;Kim, Jin-Sung;Jo, Bun-Sung;Kim, Jeung-Hoan;Lee, Sun-Ho;Ahn, Bong-Jeun;Cho, Young-Je
    • Journal of Applied Biological Chemistry
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    • v.54 no.3
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    • pp.159-165
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    • 2011
  • Rosmarinus officinalis extracts had a significant antimicrobial activity against Helicobacter pyori. Total phenolic contents and inhibition zone of rosemary extracts were estimated to be 25.7 mg/g and 14 mm at $200{\mu}g/mL$ of phenolic contents, respectively. The Sephadex LH-20 and MCI-gel CHP-20 column chromatographic separations for the phenolic extracts from R. officinalis leaves led to isolation of five acids, whose structures were determined as protocatechuic acid (A), coumaric acid (B), caffeic acid (C), chlorogenic acid (D), and rosmarinic acid (E), from interpretation of spectroscopic data including nagative fast atom bombardment (FAB)-mass, $^1H$-NMR, $^{13}C$-NMR, and IR. All isolated compounds were tested for antimicrobial activity against H. pyori. The purified single compound showed less antimicrobial activity against H. pylori than the mixed purified compounds, which generate A+B, A+E, C+D, C+E (each $200{\mu}g/disc$) excellent as large clear zone by synergy effect. These results indicate rosemary extracts are preventive agents against H. pyori.

Synthetic Studies on Discokiolide B (Discokiolide B의 합성에 관한 연구)

  • Kim, Hong Seok;Kim, Sang Hwa;Lee, Ju Young
    • Journal of the Korean Chemical Society
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    • v.40 no.11
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    • pp.692-698
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    • 1996
  • A synthesis of the oxazole skeleton of discokiolide B, represented by discokiic acid 1, is described. Aldol condensation of 2[2'-(4-phenyl-3-butenyl)]-1,3-oxazole 4-carboxaldehyde(4a) with lithium enolate of methyl propionate provided the discokiic acid methyl ester. The key intermediate 2[2'-(4-phenyl-3-butenyl)]-1,3-oxazole-4-carboxaldehyde (4a) has been synthesized from the rhodium-catalyzed cycloaddition of diazomalonaldehyde with nitrile. The relative stereochemistry of the 3-hydroxy-2-methylpropanoate unit of discokiic acid was assigned on the basis of $^1H$ and $^{13}C$ NMR data.

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Local Field Distribution in YNi$_2B_2C$ Superconductor (YNi$_2B_2C$의 초전도 상태에서 국소자기장의 분포)

  • Kim, Do-Hyeong;Lee, Kyu-Ho;Han, Ki-Seong;Seo, Seung-Won;Lee, Moo-Hee;Lee, Seong-Ik;Cho, Byeong-Ki
    • 한국초전도학회:학술대회논문집
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    • v.9
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    • pp.251-255
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    • 1999
  • Local field distribution in the mixed state of type II superconductors has been numerically calculated and compared with $^{11}$B NMR spectra for YNi$_2B_2C$ single crystals. We find that only small distortion of vortex positions from the perfect lattice points is enough to smear out the low frequency shoulder. As the vortices are further distorted, the line shape changes from an asymmetric shape with a high frequency tail to a symmetric Gaussian line shape. It is found that the second moment of the field distribution has a major contribution from the high frequency tail. Consequently, a linewidth of the full width at half maximum calculated from the second moment assuming for a Gaussian line shape is overestimated.

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Phytochemical and Pharmacological Investigations on Moringa peregrina (Forssk) Fiori

  • Elbatran, Seham A.;Abdel-Salam, Omar M.;Abdelshfeek, Khaled A.;Nazif, Naglaa M.;Ismail, Shams I.;Hammouda, Faiza M.
    • Natural Product Sciences
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    • v.11 no.4
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    • pp.199-206
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    • 2005
  • Investigation of M. peregrina aerial parts revealed the isolation and identification of 4-flavonoidal compounds, quercetin, quercetin-3-0-rutinoside (rutin), chrysoeriol-7-0-rhamnoside 6,8,3',5'-tetramethoxy apigenin. The compounds were identified by TLC, PC, MS, and $H^1-NMR$. The fatty acids and unsaponifiable matter were studied. The $LD_{50}$ for M. peregrina was 113.4 mg/100g b.wt. Repeated intraperitoneal injection of 1/20 and 1/10 $LD_{50}$ (5.67 mg and 11.34 mg/100g b.wt.) of defatted alcoholic of M. peregrina for 30 days induced significant decrease in serum glucose, liver enzymes and lipid components. M. peregrina administered i.p., 30min prior to carrageenan at the above doses significantly inhibited the rat paw oedema response, In acute pain models, namely, the acetic acid-induced writing and hot-plate assay, M. peregrina exhibited marked analgesic properties. In addition, M. peregrina administered at time of indomethacin injection inhibited the development of gastric lesions in rats.

The Presence of Ethyl Acylates in the Liver Lipids of A Squid, Omnastrephes bartrami and Their Fatty Acid Composition (오징어(Omnastrephes bartrami) 간지질(肝脂質)에 존재(存在)하는 Ethyl Acylates의 구조(構造)와 그 구성(構成) 지방산(脂肪酸) 조성(組成)에 관한 연구(硏究))

  • Cho, Yeon-Joo;Joh, Yong-Goe
    • Journal of the Korean Applied Science and Technology
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    • v.7 no.2
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    • pp.19-32
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    • 1990
  • Lipid levels in the tissues of liver and intestines of O.bartrami amounted to 40.0% and 1.5%. The new compounds was found to be ethyl acylates, from a deduction of their detailed $^1H-nuclear$ magnetic resonance(NMR) and $^{13}C-NMR$ as well as infra red spectra (IR). The fatty acid composition of total lipids were mainly composed of C16:0(19.0%), C18:1(16.2%) and $C22:6{\omega}3$(15.7%), followed by C20:1(9.4%), C22:1(6.4%) and C18:0(5.4%). New compound A and B were seemed to derived from the cleavage of glycerol moieties of triglycerides by microbial activities during storage in a frozen state. Compound A contained C16:0(38.2%), C18:1(13:4%), C20:1(13.3%) and C22:1(11.7%) as major components, while compound B predominantly comprised polyunsaturated fatty acid such as $C20:5{\omega}3$ (41.2%) and $C22:6{\omega}3$(36.1%). In both compounds small amounts of odd numbered fatty acids were also detected ($3.8{\sim}2.2%$).

Production Condition, Purification and Properties of Anticaries Microbial Agent by Bacilluse alkalo-philshaggy JY-827 (Bacillus alkalophilshaggy JY-827가 생산하는 항우식균물질의 생산조건과 분리, 정제 및 특성)

  • 전주연;류일환;이상욱;이갑상
    • Microbiology and Biotechnology Letters
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    • v.28 no.5
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    • pp.270-278
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    • 2000
  • The study was performed to investgate the excellent microbial anticaries substance which is more effective that the chlorhexidine in the dental caries treatment. A typi-cal strain which produced the most excellent antimicrobial subatance was selected. and identified novel alkalophillic Bacillus alkalophilshaggy JY-827. For the maximal production of themicrobial antibiotic against Streptococcus mutans from B. alkalophilshaggy JY-827, the optimal culture condition was in the medium containing glucose 15g/ L, pepton 10g/L and $K_2$$HPO_4$ 2g/L the highest production of antibiotic against S.mutans was obtained at $25^{\circ}C$ and pH 11.0 for 5 days. The antibiotic from B. alkalophilshaggy JY-827 was purified by organic solvent extraction, silica gel and sephadex LH-20 column chromatograpies, and then crystallized with methanol. The crystallin compoma-tion of this antibiotic was as a curcular shape. The melting point and rm[$\alpha$]$D^{20}$ were 152-154$^{\circ}C$ and +55。, respec-tively. Based on Instumental analyses such as FT-IR, $^{1}$H-NMR $^{13}$ C-NMR and GC-mass, the antibiotic was identified as aminoglycoside. It was obtained as amorphous white power, and soluble in water power, and soluble in water, methanol but insoluble in ether, chroloform. This antibiotic inhibited the growth of S.mutans to about 3 day at the concentration of $2.5$\times$10^{-7}$ /M. It was stable at the alkalli condition but unstable within the acid condition. It was also stable up to $70^{\circ}C$.

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Isolation and Identification of Antimicrobial Compound from Plantain (Plantago asiatica L.) (질경이로부터 항균성 화합물의 분리 및 동정)

  • 김건희;김순임;한영실
    • Korean journal of food and cookery science
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    • v.15 no.4
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    • pp.410-417
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    • 1999
  • Antimicrobial activity of Plantain(Plantago asiatica L.) was investigated. Methanol extract of dried Plantain was fractionated to hexane, chloroform, ethylacetate, butanol and aqueous fraction. Ethylacetate fraction among these fractions showed the highest inhibitory effect on the microorganisms such as B. subtilis, E. coli, and V. parahaemolyticus at 500 $\mu\textrm{g}$/disc. Ethylacetate fraction was further fractionated into 8 fractions by silica gel column and thin layer chromatography(TLC). The results showed that ethylacetate fractions No. 2 and 3 had the highest anti-microbial activity. They were mixed again, re-separated, and seven fractions were obtained. Among them, No.4 and 6 fraction had the highest inhibitory effect on the microorganisms, which were then separated into four fractions. In the 3rd fractionation, No.4 fraction was identified as hexadecanoic acid by HPLC, $^1$H-NMR and GC-MS.

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버섯균사체 배양물로부터 면역증진 기능성 소재 개발

  • Kim, Jeong-Ok
    • Food preservation and processing industry
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    • v.6 no.2
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    • pp.11-13
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    • 2007
  • This study relates to low and medium molecular weight isoflavone-${\beta}$-D-glucan produced by submerged liquid culture of Agaricus blazei, a method of producing the isoflavone-B-D-glucan using autolysis enzyme of Agaricus blazei mycelia, and use of the isoflavone-B-D-glucan for anti-cancer and immunoenhancing effect. In acordance with one aspect of the present study, it deals with a method of producing isoflavone-${\beta}$-D-glucan, which comprises the followings; 1) culturing and separating mushroom mycelia, 2) producing low-medium molecular weight isoflavone-${\beta}$-D-glucan from high molecular weight one. The cytotoxicity on human cnacer cell line (Caco-2, MCF-7), the expression of Cyclin D, Bcl-2, Bax protein, p21 protein, p53 protein in MCF-7 cells assessed by SDS-PAGE and immunoblotting, and other immuno related factor such as TNF-a and IL-1B activities were examined. Structural identification of isoflavone-${\beta}$-D-glucan which shoed cytotoxicity against cancer cell and immunoenhancing effects was carried by separation with DEAE-cellulose column chromatography, TLC, HPLC, IR, NMR, Clinical test for the cancer patients (n=119) for 6 month was carried out, and immunoenhancing factors(NK cell number, ratio of T4/T8) were checked. We concluded the identified isoflavone-${\beta}$-D-glucan has immuno enhancing effects and could be useful for cancer chemoprevention.

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