• BMB Reports
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• v.29 no.1
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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.

• Journal of the Korean Chemical Society
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• v.24 no.4
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• pp.280-287
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• 1980

The interactions of chemical carcinogens, such as polycyclic aromatic hydrocarbons, dimethylaminoazobenzene (DAB) and its derivatives and heterocyclic compounds with tissue components, especially with deoxyribonucleic acid (DNA), were examined by means of simple Huckel method. Assuming that the formations of a loose molecular complex between the carcinogens and the tissue components are the first step of chemical carcinogenesis, the most proble orientation between the chemical carcinogens and adenine-thymine (A=T) pair or guanine-cytosine $(G\equivC)$ pair is determined. It has been found that, in the case of the formation of molecular complex between chemical carcinogens and A=T pair, the two atoms of K-region of the carcinogens and the atom of L-region in the proximity of their K-region are combined correspondingly with C-l' carbon atom in the sugar that is attached to thymine, N-1 nitrogen atom and C-5 carbon atom in the thymine part of A=T pair, while, in the case of that between the carcinogens and $G\equivC$ pair, the above three atoms of the carcinogens are combined correspondingly with C-8 carbon atom, N-9 nitrogen atom and N-3 nitrogen atom in the guanine part of $G\equivC$ pair.

• Bulletin of the Korean Chemical Society
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• v.23 no.11
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• pp.1595-1603
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• 2002

In this paper we have presented the results of diffusion behavior of model systems for eight liquid n-alkanes ($C_{12}$-$C_{44}$) in a canonical (NVT) ensemble at several temperatures using molecular dynamics simulations. For these n-alkanes of small chain length n, the chains are clearly <$R_{ee}^2$>/6<$R_g^2$>>1 and non-Gaussian. This result implies that the liquid n-alkanes over the whole temperatures considered are far away from the Rouse regime, though the ratio becomes close to the unity as n increases. Calculated self-diffusion constants $D_{self}$ are comparable with experimental results and the Arrhenius plot of self-diffusion constants versus inverse temperature shows a different temperature dependence of diffusion on the chain length. The global rotational motion of n-alkanes is examined by characterizing the orientation relaxation of the end-to-end vector and it is found that the ratio ${\tau}1/{\tau}2$ is less than 3, the value expected for a isotropically diffusive rotational process. The friction constants ${\xi}$of the whole molecules of n-alkanes are calculated directly from the force auto-correlation (FAC) functions and compared with the monomeric friction constants ${\xi}_D$ extracted from $D_{self}$. Both the friction constants give a correct qualitative trends: decrease with increasing temperature and increase with increasing chain length. The friction constant calculated from the FAC's decreases very slowly with increasing temperature, while the monomeric friction constant varies rapidly with temperature. By considering the orientation relaxation of local vectors and diffusion of each site, it is found that rotational and translational diffusions of the ends are faster than those of the center.

• Polymer(Korea)
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• v.26 no.4
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• pp.431-438
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• 2002

We studied the orientation behavior and thermal stability of polyimide (PI) molecules under irradiation of polarized UV (PUV) using polarized fourier transform infrared (FTIR) spectroscopy. In the case of PUV-exposed PI films, the remaining PI molecules after photo-degradation showed molecular orientation perpendicular to the irradiated PUV polarization direction predominantly, due to the preferential degradation of PI molecules parallel to the irradiated PUV Polarization direction. On the other hand, the rubbing of PI films induced reorientation of the PI molecules parallel to the rubbing direction. We also investigated the thermal stability of the alignment layers furled by rubbing and PUV irradiation on the PI films using Polarized FTIR. The thermal stability of the PUV irradiated PI alignment layer is lower than that of the rubbed PI layer due to the fragmentation reaction of the PI by PUV.

• Proceedings of the Polymer Society of Korea Conference
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• 2006.10a
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• pp.333-333
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• 2006

We synthesized two novel polynorbornene derivatives, chiral poly(norbornene acid methyl ester) (C-PNME) and racemic poly(norbornene acid n-butyl ester) (R-PNME), which are potential low dielectric constant materials for applications in advanced microelectronic and display devices. Thin films of these polymers deposited on substrates were investigated by structural analyses using synchrotron grazing incidence X-ray scattering, specular reflectivity and ellipsometry. These analyses provided important information on the structure, electron density gradient across film thickness, chain orientation, refractive index and thermal expansion of the polymers in substrate-supported thin films. The structural characteristics and properties of the thin films were first dependent on the polymer chain' tacticity and further influenced by film thickness and thermal annealing.

• Bulletin of the Korean Chemical Society
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• v.35 no.9
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• pp.2723-2725
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• 2014

Recently we have reported a novel class of anion receptors which are based on 2n-crown-n topology. Trioxane derivatives are capable of anion sensing through pure aliphatic C-H hydrogen bonding. In this work, we highlight another interesting property, i.e., they can also recognize cations as normal crown ethers (3n-crown-n topology). Since the same functional moiety can recognize anions and cations, these coronands are predicted to be amphi-ionophores. However, we could not detect cations even in the gas phase. Considering trioxane is analogous to [$1_6$]starand, this was rather counter-intuitive. The calculation results show that these coronands can detect alkali metals with very low affinity. The low affinity toward cations should be responsible for this failure of experimental detection. With careful theoretical study, we found that this low affinity toward cations could be explained by the unfavorable charge-dipolar moiety orientations as proposed by Cui et al. As in the case of [$1_6$]starand, this is an example that underscores the importance of charge-dipolar moiety orientation in supramolecular interactions.

• Proceedings of the Polymer Society of Korea Conference
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• 2006.10a
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• pp.311-311
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• 2006

The morphology of Poly(styrene-b-methylmethacrylate) (P(S-b-MMA)) block copolymer thin films deposited on silicon wafers was controlled by treating the substrates with Self-Assembled Monolayers (SAM) of phenylsilanes with different alkyl chain lengths. It was found that the treatment with SAM strongly modified the substrates properties, especillay the surface energy, as compared with bare silicon oxide. By futher adjusting the molecular weight of P(S-b-MMA), a variety of morphologies could be generated, including a perpendicular orientation of lamellea of PS and PMMA, which is required for industrial applications.

• Nuclear Engineering and Technology
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• v.6 no.3
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• pp.155-159
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• 1974

The extended Huckel molecular orbital calculations have been carried out on rotamers of methyl and ethyl cyanoacetates. Results show that cis orientation of C≡N group is favored while for $CH_3$group trans orientation is favored. The major part of the stabilization energies can be accounted for by the electrostatic energies between the atoms involved.

• Proceedings of the Korean Magnestics Society Conference
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• 2009.12a
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• pp.203-203
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• 2009

We report on the epitaxial growth of tetragonal $DO_{22}$-type Mn3Ga films on GaSb (001) using molecular beam epitaxy and the related structural and magnetic properties. The as-studied $Mn_3Ga$ film was found to exhibit relatively small coercivity around 400 Oe, which differs greatly from the hard magnetic properties of $Mn_3Ga$ bulk specimen or films that are normally reported. This difference was probably attributed to the effects of the GaSb (001) substrate that forced the $Mn_3Ga$ film to be two-dimensionlly stabilized in the (114) orientation and thus led to the modified intrinsic properties of $Mn_3Ga$ films. The growth orientation of the Mn3Ga (114)//GaSb (001) also caused the easy magnetocrystalline direction located in the film plane due to the dominant shape anisotropy in the thin films.

• Proceedings of the KIEE Conference
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• 1995.11a
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• pp.420-422
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• 1995

PVDF (polyvinylidene fluoride) has at least from known crystalline structure ( ; they are referred to as the $\alpha$, $\beta$, $\gamma$ and $\alpha_p$ phase or forms II, I, III and $IV_p$). In this study, the manufactured PVDF thin films through vapor deposition method had for II ( ; the substrate temperature at 30$^{\circ}C$). The dielectric behavior of poly(vinylidene fluoride) is affected by orientation and crystal modification. The very high value of the dielectric constant for high temperature conditioned film is believed to be due to the orientation effect. The loss peak caused by molecular motion of the molecules in crystalline regions.