• 한국자기공명학회논문지
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• 제15권2호
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• pp.157-174
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• 2011

Although the use of apodization functions in connection with postprocessing of a 2D NMR spectrum proves improved spectral quality, there is usually a trade-off between resolution enhancement and noise suppression due to a classical "uncertainty principle." In this study, therefore, a mathematical deconvolution technique called "Maximum Likelihood Deconvolution (MLD)" was adopted to achieve the spectral resolution and sensitivity enhancement simultaneously. The MLD technique greatly facilitates visualization and restoration of the genuine spectral information from complex 2D NMR spectra that would be problematic with the conventional apodization/FT processing. In particular, application of the MLD to the 2D-NOE spectrum would be very useful to derive the important proton connectivities, which are essential to achieve elucidating the 3D molecular structure.

• 한국자기학회지
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• 제2권2호
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• pp.132-139
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• 1992

핵자기공명 단층촬영장치에서 원통좌표계를 사용할 수 있게 하는 경사자계를 고안하였다. 고안된 경사계는 자기장방향이 축방향을 향하면서 방사방향으로는 단조증가하고 방사방향과 축방향으로의 평균적인 기울기의 비가 경사자계 코일의 중심에서 10배가 넘도록 했다. 방사방향과 축방향으로의 기울기의 비를 솔레 노이드의 길이와 중심에 감는 역방향전류의 감은 횟수와 전류량의 함수로 계산하여 최대치를 이루는 조건을 찾아내고 이에 근거하여 실제 코일을 제작하였다. 제작된 코일을 사용하여 실험한 결과 이론적인 예측과 10% 정도의 오차를 갖는 영상을 이차원영상 방법보다 훨씬 짧은 시간에 얻을 수 있어 훨씬 빨리 변화하는 대상의 영상화를 가능케함을 보였다.

• 한국자기공명학회논문지
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• 제24권4호
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• pp.136-142
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• 2020

Apolipoprotein B-100 (apo B-100), the main protein component that makes up LDL (Low density lipoprotein), consists of 4,536 amino acids and serves to combine with the LDL receptor. The oxidized LDL peptides by malondialdehyde (MDA) or acetylation in vivo were act as immunoglobulin (Ig) antigens and peptide groups were classified into 7 peptide groups with subsequent 20 amino acids (P1-P302). The biomimetic peptide P99 (KGTYG LSCQR DPNTG RLNGE) out of B-group peptides carrying the highest value of IgM antigens were selected for structural studies that may provide antigen specificity. Circular Dichroism (CD) spectra were measured for peptide secondary structure in the range of 190-260 nm. Experimental results show that P99 has pseudo α-helice and random coil structure. Homonuclear (COSY, TOCSY, NOESY) 2D-NMR experiments were carried out for NMR signal assignments and structure determination for P99. On the basis of these completely assigned NMR spectra and proton distance information, distance geometry (DG) and molecular dynamic (MD) were carried out to determine the structures of P99. The proposed structure was selected by comparisons between experimental NOE spectra and back-calculated 2D NOE results from determined structure showing acceptable agreement. The total Root-Mean-Square-Deviation (RMSD) value of P99 obtained upon superposition of all atoms were in the set range. The solution state P99 has mixed structure of pseudo α-helix and β-turn(Gln[9] to Thr[13]). These NMR results are well consistent with secondary structure from experimental results of circular dichroism. Structural studies based on NMR may contribute to the prevent oxidation studies of atherosclerosis and observed conformational characteristics of apo B-100 in LDL using monoclonal antibodies.

• 공업화학
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• 제10권2호
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• pp.275-280
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• 1999

일반적으로 셀룰로오스는 그 골격구조 안에 서로 다른 반응성을 갖는 3개의 히드록시기를 가지고 있다. 이 기능기에 trimethylsiloxyl-, vinyldimethylsiloxyl-, allyldimethylsiloxyl-, phenyldimethylsiloxyl-, 3,3,3-trifluoropropyldimethylsiloxyl-과 tris(trimethylsiloxy)siloxyl-기를 치환반응을 이용하여 도입하였다. IR, NMR, 그리고 원소분석을 이용하여 그 구조분석 및 치환도, 그리고 siloxylation agent의 반응성을 검토하였다. 치환도는 각각 2.5, 2.2, 2.1, 2.2, 2.6, 0.7이었다.

• 폴리머
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• 제39권2호
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• pp.287-292
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• 2015

다양한 함량의 테레프탈산, 에틸렌글리콜, 1,4-싸이클로헥산 디메탄올, 이소소바이드로 구성된 일련의 바이오 기반 삼원 공중합체들의 특성을 $^1H$ NMR과 $^{13}C$ NMR을 이용하여 연구하였다. NMR 분석 결과 모두 랜덤한 미세 구조를 가졌고 시퀀스 분포는 이소소바이드의 함량에 따라 영향을 받았다. 시차주사열량계(DSC) 데이터로부터 유리전이온도는 주로 이소소바이드 함량이 증가함에 따라 증가하는 것을 알 수 있었다. 또한 확장된 Fox 식을 이용하여 각 성분의 함량에 따른 삼원공중합체의 유리전이 온도를 예측하고자 하였다.

• BMB Reports
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• 제31권1호
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• pp.89-94
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• 1998

The structures of the self-complementary decamer duplexes, $d(ACGTATACGT)_2$ (TATA-duplex) and $d(ACGTTAACGT)_2$, (TTAA-duplex) has been obtained in solution by proton NMR spectroscopy and restrained molecular dynamics. The duplexes are essentially B-type, with distortions apparent at the TATA and TTAA steps. Theses distortions and their effects on dynamics have been investigated by the measurement of imino proton exchange time of the base-pairs. The unusual opening kinetics of central A T base-pairs could be correlated to the abnormal structural properties of the corresponding sequences.

• BMB Reports
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• 제30권6호
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• pp.421-425
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• 1997

The 4'-aminomethyl-4,5',8-trimethylpsoralen (AMT) has been used as intercalating DNA binding drugs in the photo-chemotherapy of skin diseases. The conformation and stability of DNA octamer duplex, $d(GGGTACCC)_2$, cross-linked with AMT has been studied by NMR spectroscopy. All the proton resonances of the psoralen cross-linked octamer were assigned and meting temperature studies were carried out based on the assignment of the proton resonances. The aromatic proton chemical shift data suggest that the conformation of the helix cross-linked with psoralen is destabilized more to furanside of the psoralen. possibly due to the protrusion of the aminomethyl side chain of the psoralen.

• 한국자기공명학회논문지
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• 제14권1호
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• pp.1-8
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• 2010

Four 5,8-epidioxy sterols were isolated from the marine sponge Plakortis simplex. Their structures were completely determined by an extensive NMR analysis and comparison with NMR data of similar compounds for absolute stereochemistry of the side chain. The compounds were assigned as 5,8-epidioxy- (24S)-ethylcholesta-6,22(E),25-trien-3-ol(1), 5,8-epidioxy-(24S)-methylcholesta- 6,22(E)-dien-3-ol(2), 5,8-epidioxycholesta-6,22(E)-dien-3-ol(3) and 5,8- epidioxycholesta-6-en-3-ol (4).

• 한국자기공명학회논문지
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• 제11권2호
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• pp.122-128
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• 2007

Three sterol sulfates were isolated from AMPK activity-guided fraction of a marine sponge Acanthodoryx fibrosa. Their structures were determined by an extensive NMR analysis, MS data, and two compounds were confirmed as unusual phosphorylated sterol sulfates by comparing with NMR data of the known compounds. Compound 3 was given to be a new dephosphated sterol sulfate derivative. Compound 1 moderately showed AMPK activation effect on L6 myoblast cell through Western blot analysis.

• 한국자기공명학회논문지
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• 제5권2호
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• pp.118-129
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• 2001

Binding interactions of cationic porphyrins, T4MPyP and TMAP with DNA oligomer d(CGCGAATTCGCG), were studied with NMR spectroscopy, W and CD spectroscopic method. Two porphyrins showed significant differences in NMR, UV and CD data upon binding to DNA. T4MPyP was considered to position more closely to DNA bases through partial intercalation as well as ionic intercalation between the positive charges of porphyrin and phosphate group of DNA at 5’-GC-3’steps. Contrast to this, TMAP was thought to bind to phosphate of DNA more or less outside of the groove.