• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1286-1286
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• 2001

Despite extensive theoretical and experimental studies the structure of the protein-solvent interface is subject of many controversy. Understanding the processes that occur in aqueous solution requires understanding of the solvent influence on the structure of protein. The aim of this study is to investigate the applicability of NIR methods in the study of hydration phenomena in protein solutions. Temperature-induced changes in NIR spectra of -lactoglobulin (BLG) in aqueous solutions have been investigated by means of two-dimensional correlation spectroscopy (2DCOS) and principal component analysis (PCA). With the temperature increase the balance of forces between the BLG's interaction with itself and the BLGs interaction with its environment is disrupted leading to BLG unfolding. Significant differences of 2D signals and distinct discrepancies of loading on PC1 and PC2 were observed as a result of temperature increase. In the native folded conformation of BLC, most of the nonpolar amino acids are hidden in the centre of the structure, out of contact with water molecules, while charged groups are outside, in the contact with water. The polar groups promote low density Ih-type structure in the water outside this first hydration shell. When BLG unfolds it assumes a more extended configuration on which the previously buried nonpolar groups are exposed to water and promote the higher density II-type structure outside its first shell. Detailed assignments of bands attributed to the bulk water, different states of the hydrated water and the changed conformation of BLG are proposed.

• 한국식품영양학회지
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• 제15권4호
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• pp.331-336
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• 2002

본 연구는 두유에 칼슘을 강화하고자 두유단백질의 칼슘내인성을 높이기 위한 방법으로 단백분해효소를 처리한 경우 효소처리 전, 후에 나타나는 단백질의 구조적 특성을 비교 분석하였다. 표면소수도는 SMP

• Asian-Australasian Journal of Animal Sciences
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• 제8권2호
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• pp.139-143
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• 1995

Two hundred eighty weaned Targhee lambs were grazed on annual grass-subclover pastures for 84 d under continuous and rotational defoliation grazing system. At the end of the grazing season, twenty lambs weighing 44 kg were slaughtered directly off the pasture, whereas two groups of 20 lambs each were fed either a alfalfa pellet or a 50% alfalfa/50 concentrate pellet for additional 6 wk until they reached an average live weight of 50 kg. Carcass traits and loin chop palatability were compared. Lambs slaughtered directly off the pasture were lighter than desirable market weight and some lambs had less than adequate fat cover and approximately half of them were graded U.S. Good in quality. Overall conformation and leg muscling was inferior and loin chops were less tender, less juicy and less flavorful. The lambs on alfalfa pellets for 6 wk appeared to be ideal in terms of carcass quality (all Choice except one), fat cover and yield grade. They had better taste panel scores in all palatability traits than off-the-pasture lambs, and most loin chops were acceptable. The lambs on a 50% concentrate diet for 6 wk had a higher conformation score and a greater muscling in the legs. Loin chops had more marbling and better palatability than other groups. However, some lambs had an excessive fat cover and lower yield of retail cuts. It was concluded that additional feeding for 6 wk on alfalfa pellets until the live weight reached 50 kg(for Targhee lambs) was the best way of finishing lambs at the end of grazing season in the California rangeland.

• 한국자기공명학회논문지
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• 제9권1호
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• pp.38-47
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• 2005

Axin is a scaffold protein of the APC/axin/GSK complex, binding to all of the other signalling components. Axin interacts with Glycogen synthase kinase 3$\beta$ (GSK 3$\beta$) and functions as a negative regulator of Wnt signalling pathways. To determine the solution structure of the GSK3$\beta$ binding regions of the axin, we initiated NMR study of axin fragment comprising residues 3$Val^{388} - Arg^{401}$using circular dichroism (CD) and two-dimensional NMR spectroscopy. The CD spectra of 3$axin^{pep}$ in the presence of 30% TFE displayed a standard 3$\alpha$-helical conformation, exhibiting the bound structure of 3$axin^{pep}$ to GSK3$\bata$. On the basis of experimental restraints including $NOE_s$, and $^3J_{HN\alpha} $ coupling constants, the solution conformation of $axin^{pep}$ was determined with program CNS. The 20 lowest energy structures were selected out of 50 final simulated-annealing structures in both water and TFE environment, respectively. The $RMSD_s$ for the 20 structures in TFE solution were 0.086 nm for backbone atoms and 0.195 nm for all heavy atoms, respectively. The Ramachandran plot indicates that the $\varphi$, $\psi$ angles of the 20 final structures is properly distributed in energetically acceptable regions. $Axin^pep$ in aqueous solutions consists of a stable $\alpha$-helix spanning residues form $Glu^{391}$ to $Val^{391} $, which is an interacting motif with GSK3$\beta$.

• 폴리머
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• 제24권2호
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• pp.182-193
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• 2000

폴리알킬렌테레프탈레이트 (PAT)의 고리 올리고머의 몰 고리화 정수(molar cyclization equilibrium constants)를 회전 이성 상태 (rotational isomeric state) (RIS) 모델에 의해Monte Carlo 모사로부터 얻었다. Jacobson-Stockmayer 이론과 이를 보완한 Flory, Suter, 그리고 Mutter의 방법으로는 각 PAT의 고리 올리고머의 함량과 분포를 잘 설명할 수 없었다. RIS모델을 이용한 직접 계산법으로는 반응거리를 ${\gamma}$=0.5 < ${\gamma}^{2}$> $^{1/2}$로 잡아준 경우에 모든 PAT에 대해서 실험치에 가까운 고리 올리고머의 분포를 얻었다. 또한 각 PAT의 입체형태의 변화에 따른 몰고리화 정수의 변화를 고찰하기 위하여 PAT 반복단위 중의 통계적 가중치 rl과 필를 변화시키면서 각 PAT의 몰 고리화 정수를 구하였다. 여러 반응거리와 ${\gamma}$=0.5 < ${\gamma}^{2}$> $^{1/2}$로 설정한 경우에 ${\sigma}_{1}$과 ${\sigma}_{2}$의 변화에 모든 PAT의 평형 고리 올리고머의 함량이 약간 변하기는 하나 그 분포는 그대로유지되었다. 각 PAT의 몰 고리화 정수는 주어진 입체배열에 의해서 일차적으로 결정이 되며 입체형태의 변화에 의해서도 다소 영향을 받는다는 것을 알았다.

• Korea-Australia Rheology Journal
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• 제16권4호
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• pp.183-191
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• 2004

High Deborah or Weissenberg number problems in viscoelastic flow modeling have been known formidably difficult even in the inertialess limit. There exists almost no result that shows satisfactory accuracy and proper mesh convergence at the same time. However recently, quite a breakthrough seems to have been made in this field of computational rheology. So called matrix-logarithm (here we name it tensor-logarithm) formulation of the viscoelastic constitutive equations originally written in terms of the conformation tensor has been suggested by Fattal and Kupferman (2004) and its finite element implementation has been first presented by Hulsen (2004). Both the works have reported almost unbounded convergence limit in solving two benchmark problems. This new formulation incorporates proper polynomial interpolations of the log­arithm for the variables that exhibit steep exponential dependence near stagnation points, and it also strictly preserves the positive definiteness of the conformation tensor. In this study, we present an alternative pro­cedure for deriving the tensor-logarithmic representation of the differential constitutive equations and pro­vide a numerical example with the Leonov model in 4:1 planar contraction flows. Dramatic improvement of the computational algorithm with stable convergence has been demonstrated and it seems that there exists appropriate mesh convergence even though this conclusion requires further study. It is thought that this new formalism will work only for a few differential constitutive equations proven globally stable. Thus the math­ematical stability criteria perhaps play an important role on the choice and development of the suitable con­stitutive equations. In this respect, the Leonov viscoelastic model is quite feasible and becomes more essential since it has been proven globally stable and it offers the simplest form in the tensor-logarithmic formulation.

• 대한화학회지
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• 제22권6호
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• pp.396-402
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• 1978

N-아세틸피페리돈과 그 양성자 첨가물의 형태 및 산-촉매 친핵성 치환반응에 대하여 EHT 및 CNDO/2 MO법과 궤도함수 혼합법을 적용하여 연구하였다. 계산 결과는 분자의 형태가 half-chair, cis-trans형이 가장 안정하며 양성자화는 아세틸카르보닐 산소에서 더 용이하게 일어남을 나타내고 있다. 이 결과를 콘쥬게이션, 정전기적 및 입체효과로서 설명하였다. 그리고 전하-조절 반응에서는 카르보닐 탄소원자의 양전하의 증가가, 궤도함수 조절반응에서는 LUMO AO 계수의 증가가 양성자화된 카르보닐 탄소의 반응성을 크게 증가시켜 친핵성 치환반응에서는 아세틸 절단이 개환반응보다 용이함을 밝혔다.

• Bulletin of the Korean Chemical Society
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• 제23권9호
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• pp.1315-1327
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• 2002

The model compounds, 8-methoxypsoralen-CH2O(CH2)n-adenine (MOPCH2OCnAd, n=2, 3, 5, 6, 8, and 10) in which 5 position of 8-methoxypsoralen (8-MOP) is linked by various lengths of polymethylene bridge to N9 of adenine. UV absorption spectra are identical with the sum of MOPCH2OC3 and adenine absorption spectra. Solvent effects on the UV absorption and fluorescence emission spectra indicate that the lowest excited singlet state is the $(\pi${\rightarrow}$\pi*)$ state. The spectral characteristics of the fluorescence of MOPCH2OCnAd are strongly dependent upon the nature of the solvents. The fluorescence emission spectra in aprotic solvents are broad and structureless due to the excimer formation through the folded conformation accelerated by hydrophobic ${\pi}-{\pi}$ stacking interaction. Increasing polarity of the protic solvents leads to higher population of unfolded conformation stabilized through favorable solvation and H-bonding, and consequently to an increase in the fluorescence intensity, fluorescence lifetime, and a shift of fluorescence maximum to longer wavelengths. The decay characteristics of the fluorescence in polar protic solvents shows two exponential decays with the lifetimes of 0.6-0.8 and 1.6-1.9 ns in 5% ethanol/water, while MOPCH2OC3 shows 0.5 and 1.7 ns fluorescence lifetimes. The long-lived component of fluorescence can be attributed to the relaxed species (i.e., the species for which the solvent reorientation (or relaxation) has occurred), while the short-lived components can be associated with the unrelaxed, or only partially relaxed, species.

• BMB Reports
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• 제36권6호
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• pp.552-557
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• 2003

Oligomers with $\alpha$-aminooxy acids are reported to form very stable turn and helix structures, and they are supposed to be useful peptidomimetics for drug design. A recent report suggested that homochiral oxa-peptides form a strong eight-member-ring structure by a hydrogen bond between adjacent aminooxy-acid residues in a $CDCl_3$ solution. In order to design an $\alpha$-MSH analog with a stable turn conformation, we synthesized four tetramers and one pentamer, based on $\alpha$-MSH sequence, and determined the solution structures of the molecules by two-dimensional NMR spectroscopy and simulated annealing calculations. The solution conformations of the three peptidomimetic molecules (TLV, TDV, and TLL) in DMSO-$d_6$ contain a stable 7-membered-ring structure that is similar to a $\gamma$-turn in normal peptides. Newly-designed tetramer TDF and pentamer PDF have a ball-type rigid structure that is induced by strong hydrogen bonds between adjacent amide protons and carbonyl oxygens. In conclusion, the aminooxy acids, easily prepared from natural or unnatural amino acids, can be employed to prepare peptidomimetic analogues with well-defined turn structures for pharmaceutical interest.

• BMB Reports
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• 제29권4호
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• pp.286-293
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• 1996

Association of antigenic peptide with class I MHC is believed to be crucial for maintaining stable conformation of class I molecules. T2 cells that are defective in TAP gene function mainly express class I molecules with an unstable conformation due to little or no association with antigenic peptides, whereas T1 cells that are normal in TAP gene function mainly express the stable form of class I molecules. In this work, attempts were made to determine the molecular stability of stable and unstable class I molecules. Dissociation of HLA-A2 molecules on T1 and T2 cells was monitored by flow cytometry using anti-HLA-A2 antibody after the cells were treated with brefeldin A to shut down the transport of newly-assembled HLA-A2. Estimated dissociation rate constants for the stable and unstable forms of HLA-A2 were 0.076 $h^{-1}$ and 0.66 $h^{-1}$, respectively. It appeared that both T1 and T2 cells express stable and unstable class I complex, but with different ratios of the two forms. Furthermore, $interferon-{\gamma}$ treatment of T1 cells appeared to induce the expression of both the stable and unstable class I molecules. These results demonstrate that class I MHC molecules can be divided into two groups in terms of structural stability and that they exist on the cell surface in both forms in a certain ratio.