• The Transactions of the Korean Institute of Electrical Engineers D
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• v.55 no.7
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• pp.313-318
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• 2006

An automatic sample centering system is underway at the protein crystallography beam line of the Pohang Light Source to improve the efficiency of the crystal screening process. A sample pin which contains a protein crystal is mounted on a goniometer head. Then the crystal should be moved to the center of X-ray beam by controlling the motorized goniometer to obtain diffraction data. Since the X-ray beam is located at the center of the image obtained from the CCD camera when the image of the sample pin is in focus, an auto-focusing algorithm is a very important part in the auto-sample-centering system. However the results of applying several well-known auto focusing algorithms directly to the images are not satisfactory owing to the following factors: misalignment of CCD camera, non-uniform cryo-stream in the background of the image and the supporter of the loop. The performance of an auto-focusing algorithm can be increased if the algorithm is applied to only the loop region identified. Non-uniform cryo-stream and a various illumination condition and a stain, which is shown in the image, are main obstacles to loop region identification. In this paper, a simple loop region identification algorithm, which can solve these problems, is proposed and the effective ness of the proposed scheme is shown by applying the auto-focusing algorithm to the loop region identified.

• Bulletin of the Korean Chemical Society
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• v.34 no.10
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• pp.3093-3097
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• 2013

The synthesis, X-ray crystallography, spectroscopic (IR, UV-vis), and electrochemical properties of the title compound, $[H_3O][Cr(dipic)_2][H_3O^+.Cl^-]$ (1), ($H_2dipic$ = 2,6-pyridinedicarboxylic acid), are reported. This complex crystallizes in the monoclinic space group Cc with a = 14.9006(10) ${\AA}$, b = 12.2114(8) ${\AA}$, c = 8.6337(6) ${\AA}$, ${\alpha}=90.00^{\circ}$, ${\beta}=92.7460(10)^{\circ}$, ${\gamma}=90.00^{\circ}$, and V = 1569.16(18) ${\AA}^3$ with Z = 4. The hydrogen bonding and noncovalent interactions play roles in the stabilization of the structure. In order to gain a better understanding of the most important geometrical parameters in the structure of the complex, atoms in molecules (AIM) method at B3LYP/6-31G level of theory has been employed.

• Advances in nano research
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• v.1 no.3
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• pp.133-151
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• 2013

The availability of advanced nanotechnological methodologies (experimental and theoretical) has widened the investigation of biological/organic matter in interaction with substrates. Minerals are good candidates as substrates because they may present a wide variety of physico-chemical properties and surface nanostructures that can be used to actively condense and manipulate the biomolecules. Scanning Probe Microscopy (SPM) is one of the best suited techniques used to investigate at a single molecule level the surface interactions. In addition, the recent availability of high performance computing has increased the possibility to study quantum mechanically the interaction phenomena extending the number of atoms involved in the simulation. In the present paper, firstly we will briefly introduce new SPM technological developments and applications to investigate mineral surfaces and mineral-biomolecule interaction, then we will present results on the specific RNA-mineral interaction and recent basics and applicative achievements in the field of the interactions between other fundamental biological molecules and mineral surfaces from both an experimental and theoretical point of view.

• Korean Journal of Crystallography
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• v.6 no.1
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• pp.49-55
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• 1995

The oriented islands of cubic galium nitride are grown on the (0001) surface of hexagonal GaN epitaxial films by halide vapour phase epitaxial process. The mutual orientation of cubic β-GaN and hexagonal α-GaN phase was observed as : [110](111) β-GaN//[1120](0001) α-GaN. Trigonally faced islands of β-GaN occupy the twined positions in relation to (111) plane in parallel to the film surface. The band gap value for β-GaN determuned from photo and local catchodoluminescent measurments is estimated to be 3.18±0.30eV at room temperature.

• Applied Microscopy
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• v.34 no.4
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• pp.255-264
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• 2004

The three-dimensional (3D) structure of an inorganic crystal, $SmZn_{0.67}Sb_2$ (space group P4/nmm, $a=4.26{\AA}\;and\;c=10.37{\AA}$) was solved by electron crystallography. High resolution electron microscopy (HREM) images from 3 different major zone axes and selected-area electron diffraction patterns from 16 different zone axes were combined to obtain a 3D information. A crystallographic image processing (CIP) of HREM images was used for more accurate determination of the crystal structure. As a result of this electron crystallography, average phase errors (${\Phi}_{res}$) of [001], [100] and [110] HREM images are $17.0^{\circ},\;8.3^{\circ}\;and\;21.9^{\circ}$, respectively. Xray crystallography of $SmZn_{0.67}Sb_2$ has attempted to compare accuracy of the structure determination by electron crystallography, which resulted in the cell parameters of $a=4.2976(6){\AA}\;and\;c=10.287(2){\AA}$, and the R-factor ($R_{sym}$) of 4.16%.

• Korean Journal of Crystallography
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• v.11 no.1
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• pp.6-9
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• 2000

• Korean Journal of Crystallography
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• v.11 no.4
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• pp.241-246
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• 2000

Structure factor는 위치를 포함한 electron density를 알면 계산되고 역으로 electron density는 phase를 포함한 structure factor를 알면 작도할수 있으므로 structure factor와 electron density는 서로 Fourier transform이다.

• 대한치과보철학회:학술대회논문집
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• 2006.04a
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• pp.116-116
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• 2006

• Proceedings of the Korea Crystallographic Association Conference
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• 2001.11a
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• pp.5-5
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• 2001

• Proceedings of the Korea Crystallographic Association Conference
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• 2002.05a
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• pp.7-7
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• 2002