• 한국고분자학회:학술대회논문집
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• 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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• pp.348-348
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• 2006

In the present study, porcine pepsin in various pH conditions was investigated by small-angle X-ray scattering (SAXS) in order to detailed information on the structure and its variations with pH conditions. These analyses identified the structure of pepsin, and compared with that obtained by single crystallography. Moreover, this study found the structure' variations with changing pH conditions. All the results will be discussed with considering the conformational characteristics of pepsin in solution and further correlate to the biological and spectroscopic characteristics reported previously.

• BMB Reports
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• 제29권1호
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• pp.38-44
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• 1996

Taq DNA polymerase from Thermus aquaticus has been shown to be very useful in the polymerase chain reaction method, which is being used for amplifying DNA. Not only does Taq DNA polymerase have high commercial value commercial value for the polymerase chain reaction application, but it is also important in studying DNA replication, because it is apparently an homologue to E. coli DNA polymerase I, which has long been used for DNA replication study (Lawyer et ai., 1993). The crystal structure determination of Taq DNA polymerase was initiated. An X-ray diffraction pattern breaks down a crystal structure into discrete sine waves in a Fourier series. The original shape of a crystal object in terms of electron density may be represented as the sum of those sine waves with varying amplitudes and phases in three dimensions. The molecular replacement method was initially employed to provide phase information for the structure of Taq DNA polymerase. The rotation search using the program MERLOT resulted in a solution peak with 5.4 r.m.s. PC-refinement of the X-PLOR program verified the result and also optimized the orientation angles. Next, the translation search using the X-PLOR program resulted in a unique solution peak with 7.35 r.m.s. In addition, the translation search indicated $P3_121$ to be the true space group out of two possible ones. The phase information from the molecular replacement was useful in the MIR phasing experiment.

• Elastomers and Composites
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• 제37권4호
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• pp.234-243
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• 2002

A general scheme of a rubber structure is proposed. Using the thermomechanical method(TMA), some changes in the molecular and topological structures for uncured and cured, and unfilled and filled rubbers during processing are shown. In our investigations as region it is understood a complex structure, which is expressed at the thermomechanical curve(TMC) as a zone differed from others in thermal expansion properties. This zone is between the noticed temperatures of relaxation transitions, usually on the level like those determined by DMTA at 1Hz. These regions, which shares, are not stable, and differ in molecular-weight distribution(MWD) of chain fragments between the junctions. Differences in dynamics of the formation of the molecular and topological structures of a vulcanizate are dependent on the rubber formulation, mixing technology and curing time. Some of characteristics of these regions correlate with mechanical properties of vulcanizates what is shown for NR rubbers containing ENR or CPE as a polymeric additive. It is well known that the state of order influences diffusivity of low-molecular substances into the polymer matrix. Because of this, the two topological amorphous regions should influence the distribution of the ingredients and resulting in rubber compounds' heterogeneity, and related properties of cured rubber. Investigation of this problem is expected to be, in the future, one of the essential factors in determining further improvement of polymeric materials properties by compounding with additives and in reprocessing of rubber scrap.

• 한국식품과학회지
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• 제27권5호
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• pp.757-761
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• 1995

밥의 텍스쳐에 대한 일련의 연구에서 식미와 관련성이 있는 열수 가용성 쌀 전분에 대하여 분자 구조적 측면에서 그 관련성을 구명하고자 하였다. 열수 가용성 쌀 전분의 분자 구조는 분자 크기가 작은 아밀로오스와 평균 사슬길이 $10{\sim}20$ 글루코오스 단위로 된 아밀로펙틴이 7 : 3 정도로 결합하고 있었다. 열수 가용성 쌀 전분의 용출율은 아밀로오스의 분자 크기가 작을수록, 아밀로펙틴의 초장쇄가 적을수록 높았으며, 전분의 열수 가용화는 전분의 분자 구조와 밀접한 관계가 있었다. 또한, 밥의 텍스쳐는 열수 가용성 쌀 전분의 용출율이 높을수록 경도는 낮고, 부착성은 높았다. 이러한 결과들로 볼때, 밥의 텍스쳐는 쌀 전분의 분자 구조와 밀접한 관계가 있음을 알 수 있었으며 전분의 열수 가용화 되는 성질은 쌀의 식미 평가 지표로서의 가능성이 시사되었다.

• Bulletin of the Korean Chemical Society
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• 제24권6호
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• pp.837-842
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• 2003

In ab initio molecular dynamics, whenever information about the potential energy surface is needed for integrating the equations of motion, it is computed “on the fly” using electronic structure calculations. For Born-Oppenheimer methods, the electronic structure calculations are converged, whereas in the extended Lagrangian approach the electronic structure is propagated along with the nuclei. Some recent advances for both approaches are discussed.

• Biomolecules & Therapeutics
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• 제17권4호
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• pp.335-347
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• 2009

This review covers current developments in molecular-based studies of the structure and function of carboxylesterases. To allay the confusion of the classic classification of carboxylesterase isozymes, we have proposed a novel nomenclature and classification of mammalian carboxylesterases on the basis of molecular properties. In addition, mechanisms of regulation of gene expression of carboxylesterases by xenobiotics, and involvement of carboxylesterase in drug metabolism are also described.

• Bulletin of the Korean Chemical Society
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• 제7권1호
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• pp.55-58
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• 1986

Analytical capability of surface-enhanced Raman scattering has been evaluated. Silver films prepared by homogeneous chemical reduction were used as the substrate. Detection limits for p-nitrobenzoic acid, thiophenol and rhodamine 6G were around $10{\sim}100\;pg$.

• Bulletin of the Korean Chemical Society
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• 제27권2호
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• pp.266-272
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• 2006

Three-dimensional quantitative structure-activity relationship (3D-QSAR) models were developed for 67 molecules of 2-amino-benzothiazole-6-anilide derivatives against lymphocyte-specific protein tyrosine kinase (P56 LCK). The molecular field analysis (MFA) and receptor surface analysis (RSA) were employed for QSAR studies and the predictive ability of the model was validated by 15 test set molecules. Structure-based investigations using molecular docking simulation were performed with the crystal structure of P56 LCK. Good correlation between predicted fitness scores versus observed activities was demonstrated. The results suggested that the nature of substitutions at the 2-amino and 6-anilide positions were crucial in enhancing the activity, thereby providing new guidelines for the design of novel P56 LCK inhibitors.

• 한국정보디스플레이학회:학술대회논문집
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• 한국정보디스플레이학회 2003년도 International Meeting on Information Display
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• pp.1112-1117
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• 2003

Polarized Fourier transform infrared (IR) absorption is used to probe molecular conformation in a ferroelectric liquid crystal (FLC) during the reorientation induced by the external field. Spectra of planar aligned cells of FLC W314 are measured as functions of IR polarizer orientation and electric field applied to the FLC. The time evolution of the dichroism of the absorbance due to biphenyl core and alkyl tail molecular vibration modes, is observed. Static IR dichroism experiments show a W314 dichroism structure in which the principal axis of dielectric tensor from molecular core vibration are tilted further from the smectic layer normal than those of the tail. This structure indicates the effective binding site in which the molecules are confined in the Sm-C phase has, on average, "zig-zag" shape and this zig-zag binding site structure is rigidly maintained while the molecular axis rotates about the layer normal during field-induced switching.

• 한국정보디스플레이학회:학술대회논문집
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• 한국정보디스플레이학회 2004년도 Asia Display / IMID 04
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• pp.812-815
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• 2004

The molecular structure influences the thermal behavior of HTM. For OLED the glass transition temperature and evaporation temperature are critical. We report how changes in structure cause changes on both parameters. The results may be of interest for chemists when they design new molecule structures for OLED.