• 제목/요약/키워드: 2D NMR techniques

검색결과 93건 처리시간 0.024초

Spectral and Thermal Properties of Some Uranyl Complexes of Some Schiff-Bases Derived from Glycylglycine

  • Sh. A. Sallam;M. I. Ayad
    • 대한화학회지
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    • 제47권3호
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    • pp.199-205
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    • 2003
  • 우라닐 이온, $UO^+_2$와 Schiff-base 와의 착화합물이 글리실글라이신과 살리실알데히드, 2-히드록시-1-나프트알데히드, 2,3-디히드록시 벤즈알데히드 그리고 2,4-디히드록시 벤즈알데히드와의 축합에 의해 합성되었으며 이들 착화합물의 특성을 원소분석, 전도도 측정, 자기화율 측정, UV, IR, NMR 스펙트라와 DTA, TG, DSC 결과를 이용하여 조사하였다. 구조와 열분해 메카니즘이 제안되었다.

Solution State Structure of pB1, the Mimotopic Peptide of Apolipoprotein B-100, by NMR

  • Lee, Sung-Ran;Kim, Dae-Sung;Kim, Hyo-Joon;Lee, Yong-Woo;Won, Ho-Shik
    • Bulletin of the Korean Chemical Society
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    • 제25권12호
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    • pp.1845-1849
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    • 2004
  • Apolipoprotein B-100 (Apo-B100) is a major protein component for low density lipoproteins (LDL). A number of mimetic peptides of Apo-B100 were screened from the phase-displayed random peptide library by utilizing monoclonal antibody (B9). Mimetic peptide for B9 epitope against apo B-100 was CRNVPPIFNDVYWIAF (pB1). From the BLAST search, the mimetic peptide pB1 had 40% homology with apo B-100. As a result of the structural determination of this mimotope using homo/hetero nuclear 2D-NMR techniques and NMR-based distance geometry (DG)/molecular dynamic (MD) computations, DG structure had low penalty value of 0.3-0.6 ${\AA}^2$ and the total RMSD was 0.5-1.5 ${\AA}. Moreover, pB1 structure included a weak $3_{10}$-helix from $Ile^7$,/TEX> to $Trp^{13}$.

Thymol Derivatives form Carpesium divaricatum

  • Zee, Ok-Pyo;Kim, Dae-Keun;Lee, Kang-Ro
    • Archives of Pharmacal Research
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    • 제21권5호
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    • pp.618-620
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    • 1998
  • Four thymol derivatives, 2,5-dimethoxythymol (1), 2-methoxythymol isobutyrate (2), 10-isobutyloxy-8,9-epoxythymolisobutyrate (3) and 10-(2-methylbutyloxy)-8,9-eposythymolisobutyrate (4) were isolated from the aerial parts of Carpesium divaricatum. the structures were elucidated by high field 1D and 2D NMR techniques.

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A New Epoxynaphthoquinol from Rumex japonicus

  • Zee, Ok-Pyo;Kim, Dae-Keun;Kwon, Hak-Cheol;Lee, Kang-Ro
    • Archives of Pharmacal Research
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    • 제21권4호
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    • pp.485-486
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    • 1998
  • A new epoxynaphthoquinol derivative, 3-acetyl-2-methyl-1, 5-dihydroxy-2,3-epoxynaphthoquinol (I), was isolated from the root of Rumex japonicus. The structure was elucidated by high field 1D and 2D NMR techniques.

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방울비짜루(Asparagus oligoclonos)로부터 분리한 스테로이드 사포닌의 항균활성 (Steroidal Saponins from the Rhizomes of Asparagus oligoclonos and their Antibacterial Activity)

  • 성재덕;박승용;오세량;곽용호;김금숙
    • Applied Biological Chemistry
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    • 제43권2호
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    • pp.136-140
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    • 2000
  • 방울비짜루의 MeOH 추출물 및 수포화 BuOH추출물로부터 항균활성을 확인하고 그 원인물질을 구명하던 중 두 종의 steroid saponin을 분리하였다. 이들의 구조확인을 위해 $^1H,\;^{13}C$ NMR 및 2D NMR 등 분광학적 방법을 사용하였으며 최종 이들의 구조가 25S-spirostane계의 steroid saponin인$3-O-[{\beta}-D-glucopyranosyl-(1{\rightarrow}2)-{\beta}-D-glucopyranosyl]-(25S)-spirostan-3{\beta}-ol$$3-O-{{\beta}-D-glucopyranosyl-(1{\rightarrow}2)-[{\beta}-D-xylopyranosyl-(1{\rightarrow}4)]-{\beta}-D-glucopyranosyl}-(25S)-spirostan-3{\beta}-ol$인 것으로 동정되었다. 이 두 화합물은 방울비짜루로부터는 처음으로 분리되었다. 이들 saponin의 항균활성 및 항균 스펙트럼을 검사하기 위하여 20개 균주에 대한 MIC를 실시하였다. 이들은 그중 10개 균주에 대해 $100\;{\mu}g/ml$의 농도에서 세균의 성장을 저지하는 항균력이 있었으며 광범위한 항균 스펙트럼을 나타내었다.

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Structural Studies of Copper(II)-Hippuryl-L-histidyl-L-leucine(HHL) Complex by NMR Methods

  • Lee Seong-Ran;Jun Ji-Hyun;Won Ho-Shik
    • 한국자기공명학회논문지
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    • 제10권1호
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    • pp.115-125
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    • 2006
  • Hippuryl-L-histidyl-L-leucine(HHL) is widely used as a substrate of angiotensin converting enzyme(ACE) cleaving the neurotransmitter angiotensin(I) to the octapeptide angiotensin(II). The structure of the substrate molecules should provide information regarding the geometric requirements of the ACE active site. For the purpose of determination of in vivo reaction, metallo(Cu, Zn)-HHL complexes were synthesized and the degree of complex formation were identified by MALDITOF, ESI mass spectrometric analysis. Tn addition, the pH-dependent species distribution curves were obtained by potentiometric titration. Nitrogen atoms of imidazole ring and oxygen atom of caboxylate groups in the peptide chain were observed to be participated in the metal complex formation. After purification of complexes further structural characterization were made by utilizing UV-Vis, electrochemical methods and NMR. Complete NMR signal assignments were carried out by using 2D-spectrum techniques COSY, TOCSY, NOESY, HETCOR. A complex that two imidazole and carboxylate groups are asymmetrically participating to coordination mode was predicted to the solution-state structure of $Cu(II)-HHL_2$ based on $^{13}C-NMR$ signal assignment and NOE information.

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A New Apotirucallane-type Triterpenoid from the Fruit of Melia azedarach

  • Jin, Qinghao;Lee, Chul;Lee, Jin Woo;Lee, Moon-Soon;Lee, Mi Kyeong;Hwang, Bang Yeon
    • Natural Product Sciences
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    • 제19권4호
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    • pp.342-346
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    • 2013
  • A new apotirucallane-type triterpenoid, $3{\alpha}$-tigloylsapelin D (1) together with five known triterpenoids such as meliasenin B (2), sendanolactone (3), (-)-$12{\beta}$-hydroxykulactone (4), cinamodiol (5), and $3{\alpha}$-hydroxytirucalla-7,24(25)-dien-6-oxo-21,16-olide (6) were isolated from the fruits of Melia azedarach. Their structures were established on the basis of various NMR spectroscopic analyses including 2D-NMR techniques (HSQC, HMBC, and NOESY) and HR-FAB-MS data.

Solid-state NMR Studies of Miscibility and Morphology in Blends of Bisphenol-A type Polycarbonate and Poly (ester-ether) Elastomer

  • Kim, Yongae
    • 한국자기공명학회논문지
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    • 제5권1호
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    • pp.19-28
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    • 2001
  • Miscibility and morphology in blends of bisphenol-A type polycarbonate and poly (ester-ether) elastomer with different compositions are studied by solid-state NMR spectroscopy. $^{13}$ C Solid-state NMR of CP/MAS/TOSS/DD, CP/MAS/DD, inversion recovery CP/MAS/DD, and 2D rotor driven spin diffusion techniques are used to identify the miscibility, morphology, and transesterification in blends. The blends of PC /BT elastomer with 15% to 42% of soft segment seem to be single phase miscible mixing and those of PC/PBT and PC/PBT elastomer with 62% of soft segment are cocontinuous two phase immiscible mixing. No significant transesterification reactions are observed in blends with different compositions.

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나프록센의 Alkanol 에스테르류에 관한 생물약제학적 연구 I -3종의 Alkanol 에스테르의 합성- (Biopharmaceutical Studies on the Alkanol Esters of Naproxen(I) -Studies of 3 Kinds Alkanol Esters of Naproxen-)

  • 백우현;김종갑
    • 약학회지
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    • 제30권3호
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    • pp.121-127
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    • 1986
  • Three new alkanol esters of d-2-(6-methoxy-2-naphthyl)propionic acid, NAPROXEN were synthesized by esterification of sodium naproxen with chloralcohols, such as 2-chloroethanol, 3-chloro-1, 2-propanediol and $\beta$-chloroethoxyethanol in dimethylformamide. These new esters were obtained with comparably high yield and identified by elemental analysis, UV, IR and NMR techniques.

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The Structure of Kushenol M from Sophora flavescens

  • Ryu, Shi-Yong;Lee, Seung-Ho;No, Zaesung;Kim, Kye-Young;Lee, Sueg-Geun;Ahn, Jong-Woong
    • Archives of Pharmacal Research
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    • 제18권1호
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    • pp.41-43
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    • 1995
  • The linkage pattem of two side chains i.e., a isopentenyl and a lavandulyl group in kushenol M(I), a flavonoid from Sophora flavescens was established by the aid of 2-D NMR techniques, especially DEPT, ${13}C-^1H$ COSY and COLOC experiments. Thus, I was unequivocally determined as (2R, 3R)-5, 7, 2', 4'-tetrahydroxy-6-isopentenyl-8-lavandulyflavanonol.

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