• Journal of Information Display
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• v.4 no.2
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• pp.29-34
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• 2003

We have studied liquid crystal (LC) molecular alignment on rubbed and photoaligned surfaces. Particular attention was paid to the intermolecular liquid crystalline interaction. We will first show that uniform molecular orientation on a rubbed surface does not mean spatially uniform interaction between the surface and LC molecules. Rather LCs tend to align themselves through LC interaction. The existence of nonuniformity of rubbing was successfully visualized by double surface treatment. The importance of intermolecular LC interaction was also found in the orientation formation process in 5CB evaporated on rubbed and photoaligned surfaces. By simultaneously analyzing polarized UVNIS absorption and second-harmonic generation (SHG) using the maximum entropy method, we succeeded in obtaining the temporal variation of the orientational distribution functions in the film forming process. The distribution anisotropy and pretilt are found to be generated under the influence of intermolecular LC interaction.

• Polymer(Korea)
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• v.29 no.3
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• pp.308-313
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• 2005

The effects of molecular environments on photoisomerization of an azobenzene group were investigated using In-situ UV/Vis spectroscopy and optical anisotropy measurement technique. The reversible and repeatable photoisomeritation reactions of azobenzene were observed by irradiating the film containing 4-hydroxyazobenzene and by measuring absorption intensities of the characteristic bands of trans and cis isomers simultaneously. When the self-assembled monolayer with azobenzene groups was used as an alignment layer for a liquid crystal cell, the homeotropic alignment was induced due to their compact packing structures of azobenfene groups along the vertical direction of the substrate. By irradiating UV light on this cell, the trans-azobenzene groups change to cis-isomers through the photoisonlerieation and then resulting in the planar alignment of liquid crystal molecules.

• 한국정보디스플레이학회:학술대회논문집
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• 2008.10a
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• pp.873-878
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• 2008

Doosan Mecatec has developed alignment system for Organic Light-Emitting Diode (OLED) display production using large size substrate. In the present article, The alignment system between the substrate and the mask, which is a core technology for producing the OLED product using the fourth-generation substrate with $730{\times}920mm^2$ or more, will be described by dividing into a substrate loader, a magnet unit, a CCD camera, etc. The substrate loader is optimized through the simulation where the central portion of the substrate droops by about 1.5mm by clamping each of a long side (920mm direction) and a short side (730mm direction) thereof by 6 point and 4 point. A magnet unit using a sheet type of rubber magnet is constituted and a CCD camera model with the specifications capable of minimizing the errors between a clear image and the same image is selected. The system to which an upward evaporation technique of small molecular organic materials will be applied has been developed so that repeatability and position accuracy becomes ${\pm}1{\mu}m$ or less using an UVW type of stage. Also, the vision accuracy of the CCD camera becomes ${\pm}1{\mu}m$ or less and the align process TACT becomes 30sec. or less so that the final alignment accuracy between the substrate and the mask becomes ${\pm}3{\mu}m$ or less. In order to meet an extra-large glass substrate, an evaporation system using an extra-large AMOLED substrate has been developing through a vertical type of an alignment system.

• Bulletin of the Korean Chemical Society
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• v.32 no.1
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• pp.251-262
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• 2011

Human ether-a-go-go related gene (hERG) potassium channel blockade, an undesirable side effect which might cause sudden cardiac death, is one of the major concerns facing the pharmaceutical industry. The purpose of this study is to develop an in silico QSAR model which uncovers the structural parameters of T-type calcium channel blockers to reduce hERG blockade. Comparative molecular similarity indices analysis (CoMSIA) was conducted on a series of piperazine and benzimidazole derivatives bearing methyl 5-(ethyl(methyl)amino)-2-isopropyl-2-phenylpentanoate moieties, which was synthesized by our group. Three different alignment methods were applied to obtain a reliable model: ligand based alignment, pharmacophore based alignment, and receptor guided alignment. The CoMSIA model with receptor guided alignment yielded the best results : $r^2$ = 0.955, $q^2$ = 0.781, $r^2_{pred}$ = 0.758. The generated CoMSIA contour maps using electrostatic, hydrophobic, H-bond donor, and acceptor fields explain well the structural requirements for hERG nonblockers and also correlate with the lipophilic potential map of the hERG channel pore.

• Polymer(Korea)
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• v.30 no.4
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• pp.362-366
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• 2006

It was found by polarized FTIR spectroscopic studies that pentacene molecules are arranged with their molecular axes perpendicular to the substrate surface when pentacene films are deposited on a polyimide alignment layer. The ring plane in a pentacene molecule is arranged parallel to the rubbing direction of the polyimide alignment film while no specific arrangement of vertically deposited pentacene molecules was found for the film without rubbing. The pentacene band at $1296cm^{-1}$ which has a transition dipole moment parallel to the ring plane is much stronger in a polarized IR spectrum of parallel to the rubbing direction, whereas the band at $908cm^{-1}$ whose transition dipole align normal to the ring plane shows much stronger intensity in a spectrum of perpendicular to the rubbing direction. These findings indicate that orientation of polyimide chains affects the arrangement of pentacene molecules when they are deposited on a polyimide alignment film.

• The Korean Journal of Pesticide Science
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• v.10 no.3
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• pp.157-164
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• 2006

Three dimensional quantitative structure-activity relationships (3D-QSARs) for the fungicidal activities against Rhizoctonia solani (RS) and Phytophthora capsici (PC) by N-phenyl substituents(X) of N-phenylthionocarbamate derivatives were studied quantitatively using comparative molecular field analysis (CoMFA) methodology based on different alignment approaches. Statistical quality of CoMFA models with field fit alignment were slightly higher than that of atom based fit alignment. The optimized CoMFA models (RS: RF2 & PC: PF2) were derived from field fit alignment and combination of CoMFA fields. And the statistical results of the two models showed the best predictability of the fungicidal activities based on the cross-validated value $q^2$ ($r^2_{cv.}$ =RS: 0.557 & PC: 0.676) and non-cross-validated value ($r^2_{ncv.}$ =RS: 0.954 & PC: 0.968), respectively. The selective fungicidal activities between two fungi were dependence upon the electrostatic field of substrate molecule. Therefore, the fungicidal activities from CoMFA contour maps showed that the fungicidal activity will be able to increased according to the modification of X-substituents on the substrate molecules.

• Proceedings of the KIEE Conference
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• 1999.07d
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• pp.1762-1764
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• 1999

We investigated the annealing effect on generating pretilt angle and aligning liquid crystal (LC) using the photo-depolymerization reaction in this study. In case of rubbing polyimide (PI) surface with the side chain, pretilt angle tends to increase with increasing the annealing time. It is considered because the steric interaction is increased by annealing which cause the side chain to come back to original position. For obliquely irradiating ultraviolet (UV) light on PI surface, pretilt angle shows to $0^{\circ}$ and is increased by annealing. The pretilt angle in rubbed PI surface is much higher than in photo-aligned PI surface. It is attributed to the steric interaction and the number of LC molecular arrangement on azimuthal direction. In addition. in case of obliquely irradiating UV light on PI surface. it showed LC alignment to increase by annealing. It can be regarded due to the fact that the re-alignment of LC molecule is improved to residual polymer direction by annealing.

• Genomics & Informatics
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• v.11 no.3
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• pp.155-160
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• 2013

Structural information has been a major concern for biological and pharmaceutical studies for its intimate relationship to the function of a protein. Three-dimensional representation of the positions of protein atoms is utilized among many structural information repositories that have been published. The reliability of the torsional system, which represents the native processes of structural change in the structural analysis, was partially proven with previous structural alignment studies. Here, a web server providing structural information and analysis based on the backbone torsional representation of a protein structure is newly introduced. The web server offers functions of secondary structure database search, secondary structure calculation, and pair-wise protein structure comparison, based on a backbone torsion angle representation system. Application of the implementation in pair-wise structural alignment showed highly accurate results. The information derived from this web server might be further utilized in the field of ab initio protein structure modeling or protein homology-related analyses.

• Proceedings of the Korean Society for Bioinformatics Conference
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• 2004.11a
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• pp.158-166
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• 2004

Predicting the destination of a protein in a cell gives valuable information for annotating the function of the protein. Recent technological breakthroughs have led us to develop more accurate methods for predicting the subcellular localization of proteins. The most important factor in determining the accuracy of these methods, is a way of extracting useful features from protein sequences. We propose a new method for extracting appropriate features only from the sequence data by computing pairwise sequence alignment scores. As a classifier, support vector machine (SVM) is used. The overall prediction accuracy evaluated by the jackknife validation technique reach 94.70% for the eukaryotic non-plant data set and 92.10% for the eukaryotic plant data set, which show the highest prediction accuracy among methods reported so far with such data sets. Our numerical experimental results confirm that our feature extraction method based on pairwise sequence alignment, is useful for this classification problem.

• 한국정보디스플레이학회:학술대회논문집
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• 2004.08a
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• pp.899-902
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• 2004

The molecular reorientations and surface morphologies of rubbed films formed from atactic polystyrene (PS) samples with various molecular weights were investigated in detail. Previously unknown surface topography features were newly discovered in rubbed films, depending on molecular weights: submicroscale groove-like meandering structures composed of fine-grooves like pebbles in tens nanometers are present, oriented perpendicular to the rubbing direction. The vinyl main chains, however, were preferentially reoriented along the rubbing direction and the planes of the phenyl side groups were preferentially reoriented perpendicular to the rubbing direction with para-directions that were positioned nearly normal to the film plane. Nematic liquid crystal (LC) molecules were found to always align on the rubbed PS surfaces along the orientation direction of the submicroscale grooves generated by rubbing.