• Bulletin of the Korean Chemical Society
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• 제32권11호
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• pp.4016-4020
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• 2011

A number of mimetic peptides of apolipoprotein A-I, a major component for high density lipoproteins (HDL), were screened from the phase-displayed random peptide library by utilizing monoclonal antibodies (A12). A mimetic peptide for A12 epitope against apolipoprotein A-I was selected as FVLVRDTFPSSVCCP(pA2) exhibiting 45% homology with Apo A-I in the BLAST search. Solution structure determination of this mimotope was made by using 2D-NMR data and NMR-based distance geometry (DG)/molecular dynamic calculations. The resulting DG structures had low penalty value of 0.4-0.6 ${\AA}^2$ and the total RMSD of 0.7-1.7 ${\AA}$. The mimotope pA2 exhibited a characteristic ${\beta}$-turn conformation from Val[2] to Phe[8] near Pro[9] residue.

• Bulletin of the Korean Chemical Society
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• 제24권7호
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• pp.971-974
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• 2003

By utilizing singular value decomposition (SVD) and shift averaged Harr wavelet transform (WT) with a set of Daubechies wavelet coefficients (1/2, -1/2), a method that can simultaneously eliminate an unwanted large solvent peak and noise peaks from NMR data has been developed. Noise elimination was accomplished by shift-averaging the time domain NMR data after a large solvent peak was suppressed by SVD. The algorithms took advantage of the WT, giving excellent results for the noise elimination in the Gaussian type NMR spectral lines of NMR data pretreated with SVD, providing superb results in the adjustment of phase and magnitude of the spectrum. SVD and shift averaged Haar wavelet methods were quantitatively evaluated in terms of threshold values and signal to noise (S/N) ratio values.

• 한국자기공명학회논문지
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• 제5권1호
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• pp.29-36
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• 2001

The structures of two VBS (viral binding site) RNAs, SL1 and SL2, of Yeast Saccharomyces cerevisiae vims have been studied by 2D and 3D NMR experiments. VBSs play a crucial role in viral particle binding to the plus strand and packaging of the RNA. The secondary structures of the two VBS RNAs share a common feature of the stem-internal loop-stem-hairpin loop structure although the size of the internal loops of SL1 and SL2 differs. 2D experiments were sufficient for fill assignments of SL1. However, isotope labeling of the sample and multidimensional experiments were required for 28-nucleotide-long SL2 due to the spectral overlap. Several 3D HCCH experiments have accomplished full assignment of SL2 RNA.

• 한국자기공명학회논문지
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• 제23권4호
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• pp.87-92
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• 2019

Allium hookeri (Liliaceae) has been received the increasing attention as a bioactive resource due to its potent biological activities including anti-oxidant, anti-obesity, anti-microbial and lipid-regulating activities. The beneficial effects of A. hookeri are known contributed from the high content of organosulfur compounds in A. hookeri. Though a variety of articles demonstrated that A. hookeri contains 'saponin' as a bioactive constituent, the scientific evidence to prove it was limited. In the present study, we have attempted to identify saponin contained in A. hookeri through chromatographic isolation and NMR spectroscopic methods. As a result, a spirostane-type steroidal saponin (1) has been successfully isolated from the methanolic extract of A. hookeri roots. The structure of 1 was elucidated by extensive 1D and 2D spectroscopic methods including ¹H-NMR, ¹³C-NMR, ¹H-¹H COSY, HSQC, HMBC and NOESY; identified as (3β, 22R, 25S)-spirost-5-en-3yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→2)]-β-D-gluco pyranoside. 1 showed the significant inhibitory activity on mushroom tyrosinase with IC₅₀ values of 248.7 μM while the inhibition on alpha-glucosidase was not significant.

• KSBB Journal
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• 제23권2호
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• pp.153-157
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• 2008

생리활성이 뛰어난 마카의 지질 분획으로부터 macamides를 분리 동정하기 위해 본 연구에서는 초임계 이산화탄소 추출을 통해 마카 지질 추출물을 제조하여 재순환 분취용 HPLC로부터 2종의 macamides 물질을 분리 정제하였다. 분리된 2종의 macamides 물질의 구조 해석을 위해 LC/MS와 $^1H$-NMR과 $^{13}C$-NMR 분석을 실시한 결과 분자량이 384인 N-benzyl-5-oxo-6E,8E-octadecadienamide와 분자량이 346인 N-benzylhexadecanamide로 동정되었다. 본 연구를 통해 분리된 2종의 macamides는 향후 마카분말 및 마카제품의 macamides의 지표물질로 활용이 가능할 것으로 사료된다.

• Bulletin of the Korean Chemical Society
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• 제32권12호
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• pp.4337-4340
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• 2011

The vitamin D receptor binding peptide, VDRBP, was overexpressed as a fused form with the ubiquitin molecule in Rosetta(DE3)pLysS, a protein production strain of Escherichia coli harboring an induction controller plasmid. The fusion protein was bound to the immobilized metal ions, and the denaturation and renaturation of the fusion protein were performed as a part of the purification procedure. After the elution of the fusion protein, the peptide hormone was released from its fusion partner by using yeast ubiquitin hydrolase (YUH), and subsequently purified by reverse phase chromatography. The purity of the resulting peptide fragment was checked by MALDI-TOF mass and NMR spectroscopy. The final yields of the target peptide were around 5 and 2 mg per liter of LB and minimal media, respectively. The recombinant expression and purification of this peptide will enable structural and functional studies using multidimensional NMR spectroscopy and X-ray crystallography.

• 약학회지
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• 제40권3호
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• pp.293-299
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• 1996

The $^1H$- and $^{13}C$-NMR signals of (20R)-panaxadiol and (20R)-panaxatriol were completely assigned by the extensive application of modern 2D-NMR techniques, $^1H-^1H$ COSY, HMQC and HMBC.

• 한국자기공명학회논문지
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• 제8권1호
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• pp.55-61
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• 2004

Biosupramolecular systems such as biological membranes usually fluid under physiological conditions$^1$. Therefore, solid-state NMR has been used to investigate biosupramolecular systems. But solid-state NMR spectra contain a large number of overlapping resonances and are rather difficult to analyze. These problem has to be overcome by selective isotope labeling. We constructed a deuterium NMR probe for AM400 NMR spectrometer, which is mainly used for liquid samples. To overcome the fluidity problem, a saddle type coil was designed. The efficiency was systematically investigated for two kinds of coil geometry, solenoid and saddle types. Our results suggest that solenoids are superior to saddle type coils in the sensitivity. However, the letter fits better to fluid samples such as biosupramolecular systems.

• Natural Product Sciences
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• 제12권3호
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• pp.122-124
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• 2006

Three flavonoid glycosides, $kaempferol-3-O-{\alpha}-L-rhamnopyranosyl-(1\;{\rightarrow}\;6)-{\beta}$-D-glucopyranoside$ or kaempferol-3-O-rutinoside (1), $isorhamnetic-3-O-{\alpha}-L-rhamnopyranosyl-(16)-{\beta}-D-glucopyranoside$ or isorhamnetin-3-O-rutinoside (2), and $quercetin-3-O-{\beta}-D-glucopyranosyl-(1 ${\rightarrow}\;2)-{\beta}-L-arabinopyranoside$ 3, the latter one being a new compound, were isolated from the methanolic extract of the aerial parts of Carrichtera annua. Mass spectrometry and 1D and 2D NMR spectroscopy allowed establishing the structure of these compounds.

• 한국자기공명학회논문지
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• 제15권2호
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• pp.128-136
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• 2011

A new sesterterpenoid, phorbaketal derivative, was isolated from the marine sponge Phorbas species. Its planar structures was completely determined from a combination of extensive 1D and 2D NMR experiments and MS data, and also the stereochemistry on the chiral centers were established by the ROESY experiment and the comparison with the $^1H$ and $^{13}C$ chemical shifts of the known phorbaketal compounds. This compound 1 moderately showed cytotoxicity effect against hepatoma cancer HepG2 cell.