• Bulletin of the Korean Chemical Society
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• v.35 no.3
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• pp.758-764
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• 2014

Femtosecond vibrational spectroscopy was used to measure the vibrational population relaxation time ($T_1$) of different anions bound to ferric myoglobin ($Mb^{III}$) and hemoglobin ($Hb_{III}$) in $D_2O$ at 293 K. The $T_1$ values of the anti-symmetric stretching (${\nu}_1$) mode of NCS in the $NCS^-$ bound to $Mb^{III}$ ($Mb^{III}$NCS) and $Hb_{III}$ ($Hb_{III}$NCS) in $D_2O$ are $7.2{\pm}0.2$ and $6.6{\pm}0.2$ ps, respectively, which are smaller than that of free NCS. in $D_2O$ (18.3 ps). The $T_1$ values of the ${\nu}_1$ mode of NCO in the $NCO^-$ bound to $Mb^{III}$ ($Mb^{III}$NCO) and $Hb_{III}$ ($Hb_{III}$NCO) in $D_2O$ are $2.4{\pm}0.2$ and $2.6{\pm}0.2$ ps, respectively, which are larger than that of free $NCO^-$ in $D_2O$ ($1.9{\pm}0.2$ ps). The smaller $T_1$ values of the ${\nu}_1$ mode of the heme-bound NCS suggest that intramolecular vibrational relaxation (VR) is the dominant relaxation pathway for the excess vibrational energy. On the other hand, the longer $T_1$ values of the ${\nu}_1$ mode of the heme-bound NCO suggest that intermolecular VR is the dominant relaxation pathway for the excess vibrational energy in the ${\nu}_1$ mode of $NCO^-$ in $D_2O$, and that intramolecular VR becomes more important in the vibrational energy dissipation of the ${\nu}_1$ mode of NCO in $Mb^{III}$NCO and $Hb_{III}$NCO.

• Journal of Life Science
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• v.14 no.5
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• pp.752-760
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• 2004

The function of the [4Fe-4S] cluster containing iron (Fe-) protein in nitrogenase catalysis is to serve as the nucleotide-dependent electron donor to the MoFe protein which contains the sites for substrate binding and reduction. The ability of the Fe protein to function in this manner is dependent on its ability to adopt the appropriate conformation for productive interaction with the MoFe protein and on its ability to change redox potentials to provide the driving force required for electron transfer. The MgADP-bound (or off) conformational state of the nitrogenase Fe protein structure described reveals mechanisms for long-range communication from the nucleotide-binding sites to control affinity of association with the MoFe protein component. Two pathways, termed switches I and II, appear to be integral to this nucleotide signal transduction mechanism. In addition, the structure of the MgADP bound Fe protein provides the basis for the changes in the biophysical properties of the [4Fe-4S] observed when Fe protein binds nucleotides. The structures of the nitrogenase Fe protein with defined amino acid substitutions in the nucleotide dependent signal transduction pathways of the Switch I and Switch II have been determined by X-ray diffraction methods. These two pathways have been also implicated by site directed mutagenesis studies, structural analysis and analogies to other proteins that utilize similar nucleotide dependent signal transduction pathways. We have examined the validity of the assignment of these pathways in linking the signals generated by MgATP binding and hydrolysis to macromolecular complex formation and intermolecular electron transfer. The results provide a structural basis for the observed biophysical and biochemical properties of the Fe protein variants and interactions within the nitrogenase Fe protein-MoFe protein complex.

• Journal of the Korean Chemical Society
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• v.21 no.5
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• pp.307-319
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• 1977

The crystal structure of $N-({\alpha}-dimethyl\;{\beta}-hydroxy)ethyl\;N'-cyclohexyl\;thiourea,\;C_{ll}H_{22}N_2OS)$, has been determined by X-ray diffraction method. The compound crystallizes in the orthorhombic space group Pbca with a = 10.33(3), b = 11.82(3), c = 22.57(4)${\AA}$ and Z = 8. A total of 1414 observed reflections collected by the Weissenberg photographs and was solved by heavy atom method and refined by block diagonal least-squares methods to the R value of 0.13. The cyclohexane ring has a normal chair conformation and the thiourea unit is planar. The primary alcoholic group O-H bonded to C(l) makes an intramolecular hydrogen bond with N(2), which leads to stablize the molecule. There are two independent hydrogen bonds in the structure. One of them is of the type N-H${\cdot}{\cdot}{\cdot}$O intramolecular hydrogen bond with the length 2.71${\AA}$, another is of the type O-H${\cdot}{\cdot}{\cdot}$S intermolecular hydrogen bond with the length 3.21${\AA}$ parallel to the b axis. Apart from the hydrogen bonding system the molecules are held together by van der Waals forces in the crystal.

• Journal of the Korean Chemical Society
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• v.38 no.4
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• pp.283-287
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• 1994

The crystal stucture of bithional surfoxide, $C_{12}H_6Cl_4O_3S$, has been determined from 2295 independent reflections collected on an automated CAD-4 diffractometer with a graphite-monochromated $Mo-K\alpha$ radiation. The crystal belongs to the monoclinic, space group P2$_1$/n, with a unit cell dimensions a = 12.448(4), b = 9.740(1), c = $11.815(2)\AA$, $\beta$ = $100.06^{\circ}$, $\mu$ = 9.02 cm$^{-1}$, Dm = 1.76 g/cm$^3$, Dc = 1.75 g/cm$^3$, F(000) = 744, and Z = 4. The structure was solved by the direct method and refined by the least-squares method. The final R values was 0.037 for 2295 independent reflections. Overall conformation of the molecule is folded with respect to central surfur atom. Comparing with the molecular conformation of bithional, one of phenyl rings was swinged with about $180^{\circ}.$ This conformational change in the molecule results in the existance of intramolecular-hydrogen bond of S-O(3)---H-O(1) type and its steric hindrance between this moiety and the other phenyl ring. The two best planes of the phenyl rings have a maximum deviation of 0.009 $\AA$ for C(1) atom. The dihedral angle between two phenyl rings is $99.22^{\circ}.$ In the crystal structure, the molecules are packed with intermolecular-hydrogen bond of O(3)---H-O(2).

• Journal of the Korean Chemical Society
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• v.54 no.6
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• pp.809-817
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• 2010

The primary purpose of this study was to investigate high school students' conceptual understanding of density for solids and liquids in pure and mixed substances who had preceded formal school science instruction on density and related topics. A concept assessment on density was developed and administered by demonstrative experiments accompanied by a written assessment test method to 120 general high school students in a metropolitan city. The scientific conceptions and alternative conceptions from students' responses were identified and the percentages of them were calculated. Then, their alternative conceptions and implicit theories on density were analyzed. About half of the students couldn't differentiate weight-volume-density and regarded density as an innate property of matter. Furthermore, the greater the number of variables involved in an experimental condition of the question, the more complicated and undifferentiated students' density concepts were. Students employed more improper variables such as particle size, intermolecular distance, surface tension, polarity of the solvent, etc. in explaining counter-intuitive observations. The implications for school science instruction were discussed.

• Journal of the Korean Chemical Society
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• v.57 no.4
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• pp.432-438
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• 2013

We report a contact angle goniometer that can be easily assembled and used in high school and general chemistry experiments. It consists of an LED flash, a sample stand, and a camera fixed on an optical bread board, and the sample area is covered to block light from outside with a box with holes on both sides. ImageJ, free image analyzing software and a JAVA plugin (Drop_analysis) were used to determine the contact angle of liquid drop resting on solid surface. The contact angles of various liquids were successfully measured on various surfaces. The solid surface energies have also been determined using the Owen-Wendt method from the contact angles of $H_2O$ and $CH_2I_2$. The results reasonably agree with the previously reported values, showing the surface characteristics and modification as well as the dispersive and polar contributions. These contact angle goniometer and method for determination of the contact angle and surface energy can be applied to observation of various surface properties including wettability, hydrophilicity, and water repelling. Students can learn how the surface properties are related to the intermolecular interactions and gain experience about the equilibrium between the related forces, optics, and mathematical derivations.

• Journal of Photoscience
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• v.11 no.32
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• pp.71-74
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• 2004

The macrocycle L exhibited a switch on-off behavior through the fluorescent responses by aromatic imine molecule 1 (X=H) / trifluoroacetic acid (TFA). In the 'switch on' state, it was supposed that the aromatic imine molecule 1 is in the cavity of macrocycle L and a photoinduced electron transfer (PET) from the nitrogen of azacrown part to the anthryl group is inhibited by the interaction between the aromatic imine molecule 1 and the azacrown part of macrocycle L. In the 'switch off' state, it was supposed that the protonated imine molecule 1 is induced by the continuous addition of TFA and a repulsion between the protonated azacrown part and the protonated imine molecule 1 is occurred. It was considered that this process induces the intermolecular PET from the protonated imine molecule 1 to the anthryl group of macrocycle L because of a proximity effect between the anthryl group and the protonated imine molecule 1. From the investigation of the transient emission decay curve, the macrocycle L showed three components (3.45 ns (79.72%), 0.61 ns (14.53%), and 0.10 ns (5.75%). When the imine molecule 1 was added in the macrocycle L as molar ratio=1:1, the first main component showed a little longer lifetime as 3.68 ns (82.75%) although the other two components were similar as 0.64 ns (14.28%) and 0.08 ns (2.96%). On the contrary, when the imine molecule 3 (X=C1) was added in the macrocycle L as molar ratio=l:1, all the three components were decreased such as 3.27 ns (69.83%), 0.44 ns (13.24%), and 0.06 ns (16.93%). The fluorescent pH titration of macrocycle L was carried out from pH=3 to pH=9. The macrocycle L and C $U^{2+}$- macrocycle L complex were intersected at about pH=5, while the E $u^{3+}$ -macrocycle L complex was intersected at about pH=5.5. In addtion, we investigated the fluorescence change of macrocycle L as a function of the substituent constant ($\sigma$$_{p}$$^{o}$) showing in the para-substituent with electron withdrawing groups (X=F, Cl) and electron donating groups (X=C $H_3$, OC $H_3$, N(C $H_3$)$_2$), respectively, as well as non-substituent (X=H).).ctively, as well as non-substituent (X=H).

• Journal of Sericultural and Entomological Science
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• v.41 no.1
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• pp.41-47
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• 1999

Silk fibroin dissolved in highly concentrated calcium chloride and ethanol mixture aqueous solution turned into gel under suitable conditions. Preparation conditions and properties of gel were investigated as a function of parameters such as pH of solution, fibroin concentration, glycerol concentration and molecular weight. When pH of silk fibroin aqueous solution was near the isoelectronic point(pH 3.9~4.0), gelation occurred rapidly and strength of gel was stonger than that of pH-unadjusted due to electrostatic repulsion decrease between silk fibroin macromolecules. As concentration of silk fibroin and glycerol was higher, gelation occurred more rapid. FT Infra-red spectra of freeze-dried fibroin gel showed that gelation was derived by intermolecular anti-parallel ${\beta}$-sheet structure formation. In addition to, it was found that white-precipitate occurred instead of gelation when aqueous silk fibroin was treated by enzyme(flavouzyme), however, after flavouzyme-treated silk fibroin aqueous solution was centrifugated gelation occurred instantly. The results of differential scanning thermal analysis and infra-red spectroscopy showed that thermal stability and crystallinity of enzyme-hydrolyzed fibroin are superior to those of unhydrolyzed fibroin.

• Polymer(Korea)
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• v.26 no.2
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• pp.218-226
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• 2002

For the preparation of high resilience polyurethane (PU) foams with polyether type cell openers which have different ethylene oxide (EO) content, molecular weight and chain structure, the influences of tell opener structure on the kinetics, rheology, structural stability, open cell content and mechanical properties of the obtained foam were investigated. It was observed that urea formation reaction was delayed with the increase of EO content and incorporation of ester linkage in cell opener molecule and was relatively independent on the molecular weight. With the rheological studies, the decreases of viscosity and storage modulus were confirmed for the increase of EO content and molecular weight, so that the resulted foam had low structural stability and high open cell content. The cell opener having ester linkage in molecule exhibited the lowest values of viscosity and storage modulus and the obtained foam has high open cell content. However, the structural stability increased due to the larger intermolecular interaction of ester linkage. The hardness, tensile strength, tear strength and elongation of foam were deteriorated with increase of EO content and molecular weight of tell opener. On the other hand, the cell opener having ester linkage in molecule improved the values of tensile strength, tear strength and elongation.

• Polymer(Korea)
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• v.24 no.6
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• pp.886-892
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• 2000

Poly(4-vinyl phenol) (PVPh) was neutralized by LiOH and PVPh ionomers (PVPh-Li) with different Li neutralization extents were synthesized. The variation in $T_{g}$ with Li neutralization was determined by DSC and the results show that the $T_{g}$ increases by 3.$8^{\circ}C$ per Li mol%. When comparing this result with the 3.$2^{\circ}C$ per Na mol% reported for poly (styrene-co-hydroxy styrene), the greater value for PVPh-Li may be due to a strong interaction between unneutralized free -OH and -OLi produced. No distinct small angle X-ray scattering (SAXS) peak was observed for these PVPh ionomers in bulk. In the 50/50 blend of PVPh-Li with PVPh, the miscibile blend was obtained when the Li neutralization in PVPh-Li was 10 mol%. On the contrary, the 50/50 PVPh-Li/PMMA was immiscible when the Li neutralization was 5 mol%. It can be concluded that, even if the starting blend is miscible owing to hydrogen bonding, the miscibility of blend becomes diminished by introducing small amount of ion groups into one of the constituent polymers and the blend can be immiscible as long as any new strong intermolecular ion-dipole interaction is not generated.