• Bulletin of the Korean Chemical Society
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• v.32 no.2
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• pp.467-471
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• 2011

Spin exchange interactions of $(C_2N_2H_{10})[Fe(HPO_3)F_3]$ were examined by performing a spin dimer analysis based on extended Huckel tight binding method and a mapping analysis based on first principles density functional theory. Spin exchange interactions occur through the super-superexchange paths $J_1$ and $J_2$ in $(C_2N_2H_{10})[Fe(HPO_3)F_3]$. In the super-superexchange path $J_2$ magnetic orbital interactions between eg-block levels are much stronger than those from $t_{2g}$-block levels. Both electronic structure calculations show that the spin exchange interaction through the super-superexchange path $J_2$ is much stronger than that of $J_1$.

• Journal of Korean Society for Atmospheric Environment
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• v.13 no.5
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• pp.397-410
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• 1997

An annular denuder filter pack sampling system (ADS) was used to collect acidic air pollutants in Pusan. During the study period (from June 1995 to November 1995), forty eight samples were collected every 12 hours starting from 6:00 in the morning. These samples were devided into two sets of data for day (6:00 a.m.-6:00 p.m.) and night (6:00 p.m.-6:00 a.m.). The chemical species were analyzed for HN $O_3$, HN $O_2$, S $O_2$ and N $H_3$ in the gas Phase, and N $O_3$$^{[-10]}$ , S $O_4$$^{2-}$ and N $H_4$$^{+}$ in the particulate phase. The mean concentrations measured from this study were 0.24, 1.91, 30.07 and 4.24 $\mu\textrm{g}$/㎥ for HN $O_3$, HN $O_2$, S $O_2$ and N $H_3$, respectively. The mean concentrations of N $O_3$$^{[-10]}$ , S $O_4$$^{2-}$ and N $H_4$$^+{\ulcorner}$ were 1.95, 7.36 and 3.48 $\mu\textrm{g}$/㎥, respectively. The mean concentrations of gaseous species except for HN $O_2$ were higher in daytime than in nighttime, but the reverse was true in the particulates except for N $H_4$$^{+}$. +/..

• Molecules and Cells
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• v.27 no.1
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• pp.113-118
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• 2009

In this study, we have shown the transcriptional regulation of the human GD3 synthase (hST8Sia I) induced by valproic acid (VPA) in human neuroblastoma SK-N-BE(2)-C cells. To elucidate the mechanism underlying the regulation of hST8Sia I gene expression in VPA-stimulated SK-N-BE(2)-C cells, we characterized the promoter region of the hST8Sia I gene. Functional analysis of the 5'-flanking region of the hST8Sia I gene by the transient expression method showed that the -1146 to -646 region, which contains putative binding sites for transcription factors c-Ets-1, CREB, AP-1 and NF-${\kappa}B$, functions as the VPA-inducible promoter of hST8Sia I in SK-N-BE(2)-C cells. Site-directed mutagenesis and electrophoretic mobility shift assay indicated that the NF-${\kappa}B$ binding site at -731 to -722 was crucial for the VPA-induced expression of hST8Sia I in SK-N-BE(2)-C cells. In addition, the transcriptional activity of hST8Sia I induced by VPA in SK-N-BE(2)-C cells was strongly inhibited by SP600125, which is a c-Jun N-terminal kinase (JNK) inhibitor, and $G{\ddot{O}}6976$, which is a protein kinase C (PKC) inhibitor, as determined by RT-PCR (reverse transcription-polymerase chain reaction) and luciferase assays. These results suggest that VPA markedly modulated transcriptional regulation of hST8Sia I gene expression through PKC/JNK signal pathways in SK-N-BE(2)-C cells.

• Journal of the Korean Chemical Society
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• v.59 no.5
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• pp.387-396
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• 2015

The DFT and ab initio calculations have been performed to elucidate hydrogen interaction of HOOO-(H₂O)_n (n=1~5) clusters. The optimized geometries, harmonic vibrational frequencies, and binding energies are predicted at various levels of theory. The trans conformer of HOOO monomer is predicted to be thermodynamically more stable than cis form at the CCSD(T) level of theory. For HOOO-(H₂O)_n clusters, the geometries are optimized at B3LYP/aug-cc-pVTZ and CAM-B3LYP/aug-cc-pVTZ levels of theory. The binding energy of HOOO-H₂O cluster is predicted to be 6.05 kcal/mol at the MP2//CAM-B3LYP/ aug-cc-pVTZ level of theory after zero-point vibrational energy (ZPVE) and basis set superposition error (BSSE) correction. The average binding energy per H₂O is increased according to adding a H₂O moiety in HOOO-(H₂O)_n clusters up to 7.2 kcal/mol for n=5.

• Membrane Journal
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• v.25 no.3
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• pp.295-300
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• 2015

PDMS-NaA zeolite membranes were prepared by adding 0~40 wt% NaA zeolite. Based on SEM observation, NaA zeolite was dispersed in the PDMS-NaA zeolite membranes with $2{\sim}5{\mu}m$. The permeabilities of $H_2$ and $N_2$ gases through PDMS-NaA zeolite membranes increased as NaA zeolite contents increased and $H_2$ gas had better permeabilities than $N_2$. The selectivity ($H_2/N_2$) of PDMS-NaA zeolite membranes increased as NaA zeolite contents increased.

• Bulletin of the Korean Chemical Society
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• v.19 no.11
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• pp.1161-1164
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• 1998

The catalytic transformation of sterically bulky tertiary stannane n-Bu3SnH by the Cp2MCl2/Red-Al (M=Ti, Zr, Hf) and M(CO)6 (M=Cr, Mo, W) catalysts yielded two kinds of catenated products: one is a cross-linked polystannane as minor product, and the other is hexabutyldistannane (n-Bu3Sn)2 as major product. The distannane was produced by simple dehydrocoupling of n-Bu3SnH, whereas the cross-linked polystannane could be obtained via redistribution/dehydrocoupling combination process of n-Bu3SnH. The redistribution/dehydrocoupling combination process may initially produce a low-molecular-weight oligostannane with partial backbone Sn-H bonds which could then undergo an extensive cross-linking reaction of backbone Sn-H bonds, resulting in the formation of an insoluble polystannane.

• Korean Journal of Crystallography
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• v.5 no.2
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• pp.78-84
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• 1994

The crystal structure of N-11-(benzotriazol-1-yl)butyl]-P-nitroaniline ( C16H17N502) has been determinedfromsingle crystal x-ray diffractionstudy:C16H17N502 monoclinic, P21/n, a=17542(2)A, b=10.755(3)A, c=8.891(1)A, β=104.58(1)˚, V=1623.4(5)A3, 7=293(2)K, Z=4, Cuka(A = 1.5418A) , The molecular structure was solved was by direct meshed refined by full-matrix least squares to a final R =0.0411 for 2248 unique observed [F≥4o(p) ] reflections and 255 Parameters. The crystal structure is stabilized by intermolecular N (11) -Hl 1 (Nl 1) ‥‥N (3) hydrogen bond with N(11) ‥‥ N(3) =3.136(2)A and N(11)-Hll(Nll)‥‥N(3) =164.1(15) ˚.

• Journal of the Korean Mathematical Society
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• v.51 no.6
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• pp.1141-1154
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• 2014

A k-hypertournament H on n vertices, where $2{\leq}k{\leq}n$, is a pair H = (V,A), where V is the vertex set of H and A is a set of k-tuples of vertices, called arcs, such that for all subsets $S{\subseteq}V$ with |S| = k, A contains exactly one permutation of S as an arc. Recently, Li et al. showed that any strong k-hypertournament H on n vertices, where $3{\leq}k{\leq}n-2$, is vertex-pancyclic, an extension of Moon's theorem for tournaments. In this paper, we prove the following generalization of another of Moon's theorems: If H is a strong k-hypertournament on n vertices, where $3{\leq}k{\leq}n-2$, and C is a Hamiltonian cycle in H, then C contains at least three pancyclic arcs.

• Journal of the Korean Chemical Society
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• v.19 no.2
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• pp.85-91
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• 1975

The crystal structure of piperidinothiosemicarbazide, $C_6H_{13}N_3S$, has been determined by single crystal X-ray analysis. The space group is P21/c with four molecules in the unit cell of dimensions $a=14.68{\pm}0.04,\;b=4.59{\pm}0.02,\;c=12.92{\pm}0.04{\AA}\;and\;{\beta}=109.4{\pm}0.2^{\circ}$. Three-dimensional photographic intensities were estimated visually. The structure has been solved by an interpretation of a Patterson synthesis and refined by block-diagonal least-squares methods to give a final R value of 0.14 for 378 observed independent reflections. There are two independent hydrogen bonds in the structure. One of them is of the type N-H${\ldots}$S with the length 3.28 and $3.39{\AA}$, and another is of the type N-H${\ldots}$N with the length $3.03{\AA}$. Apart from the hydrogen bonding system the molecules are held together in the crystal by van der Waals forces.

• Bulletin of the Korean Chemical Society
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• v.7 no.2
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• pp.108-110
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• 1986

The solution epr spectra of ${\alpha}-1,2,3-[H_nPV(IV)V_2W_9O_{40}]^{(7-n)-}$were measured at various pH and three protonated species have been identified. The spectrum of $H_3PV(IV)Ⅴ_2$ consisting of 8 lines indicates that the V-OH-V bridge prevents effectively the electron transfer between the vanadium atoms. The spectrum of $H_2PV(IV)V_2$ consisting of 15 lines can be interpreted by assuming that the electron is hopping fast between the two vanadium atoms in the V-O-V sequence. The multi-line spectrum of $HPV(IV)V_2$ is interpreted as a poorly resolved 43-line spectrum which originates from the electron hopping among the three vanadium atoms with the forward and backward transition probabilities of 4:1 in the OH-V-O-V sequence.