• Elastomers and Composites
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• 제55권3호
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• pp.199-204
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• 2020

Considering the immense applicability of isoprene rubbers, such as natural rubber (NR) and synthetic polyisoprene rubber (IR), attempts are being made to introduce more functionality within the rubber structure, e.g. epoxidation, to widen their technological viability. Epoxidation introduces polar epoxy bonds into the rubber molecular chain, resulting in enhanced intermolecular interactions among the rubber chains, increasing the oil resistance and air impermeability. Although there have been many reports on the epoxidation of NR in its latex form, there has been no such report using its solid form (or gum), which limits the epoxidation in terms of portability. Furthermore, the gum form has longer lifetime, while the latex form has limited lifetime for its efficient use. In this study, the epoxidation of natural rubber and polyisoprene rubber (using meta-chloroperoxybenzoic acid (mCPBA) as the epoxidizing agent) by dissolving their gum in hexane (i.e., the solution method) have been studied and compared. The effects of the amount of mCPBA, reaction time, and reaction temperature were investigated. The present process is easy and facilitates the epoxidation of rubbers in their solid form; therefore, it can be used for industrial upscaling of epoxidized rubber production.

• Carbon letters
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• 제4권1호
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• pp.31-35
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• 2003

The specific adsorption behaviors of activated carbons (ACs) treated with 30 wt% $H_3PO_4$ or NaOH were investigated in the removals of NO or $NH_3$. The acid and base values were determined by Boehm's titration method. And, the surface properties of ACs were studied by FT-IR and XPS analyses. Also, $N_2/77K$ adsorption isotherm characteristics, including the specific surface area and micropore volume were studied by BET and t-plot methods, respectively. From the adsorption tests of NO and $NH_3$, it was revealed in the case of acidic treatment on ACs that the $NH_3$ removal was more effective due to the increase of acidic functional groups in carbon surfaces. Also, the NO removal was increased, in the case of basic treatment, due to the improvement of basic functional groups, in spite of significant decreases of BET's specific surface area and total pore volume. It was found that the adsorption capacity of ACs was not only determined by the textural characteristics but also correlated with the surface functional groups in the acid-base intermolecular interactions.

• 대한전기학회논문지:전기물성ㆍ응용부문C
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• 제49권10호
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• pp.553-558
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• 2000

This paper deals with change of contact angle, surface potential decay, surface resistivity and XPS of water-treated epoxy insulator. From the experimental results on the contact angle was reduced from $74^{\circ}$to $24^{\circ}$ due to the formation of polar hydroxyl groups on surface which was associated with intermolecular reaction between epoxy chains of three-dimensional network structure and water molecules. From the experimental results in the surface potential decay of water treated-samples, it was found that the accumulation of charge is decreased and the surface potential decay time is shortened by the interaction of polar hydroxyl groups induced on the treated surface as the increment of treatment time. The positive charging on the treated surface compared with negative charging is relatively lowered by the induction of polar hydroxyl groups. The surface resistivity was changed from $10^{15}[{\Omega}/cm^2$] to $10^{12}[{\Omega}/cm^2$] caused by water treatment. From XPS, it was found that the changes affected by the surface degradation of epoxy were caused by the generation of carboxyl groups through the chain decomposition and recombination with oxygen molecules in the air.

• Journal of Pharmaceutical Investigation
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• 제18권4호
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• pp.209-215
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• 1988

The three-dimensional structures of piroxicam crystallized from two different solvents, toluene and toluene/hexane mixture respectively, are proved identical: $C_{15}H_{13}N_3O_4S,\;M\;=\;331.35$, monoclinic, a = 7.128(1), b = 15.146(2), c = 13.956(2) ${\AA},\;{\beta}=\;97.33(1)^{\circ},\;V\;=\;1494.37{\AA}^{3},\;Dx\;=\;1.472\;g/cm^{3},\;Z\;=\;4,\;space\;group\;P2_{1}/c,\;Mo\;K{\alpha}(\lambda=\;0.71073\;{\AA})$, F(000) = 688, T = 295 K, R = 0.0611 for 1993 unique observed reflections. The thiazine ring exhibits a half chair conformation. An amide group is involved in an intramolecular hydrogen bond to the hydroxy group, O(17)-H(17)${\cdots}O(15){\AA}$. The molecule is planar within 2 ${\AA}$ with the interplanar angle $127.9(4)^{\circ}$ between pyridine and benzene rings. A molecular chain parallel to [011] is formed by two intermolecular hydrogen bonds N(16)-H(6)${\cdots}O(11)$ and C(6)-H(6)${\cdots}O(11)$, and the molecular chains are held together by van der Waals forces.

• 한국자기공명학회논문지
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• 제8권2호
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• pp.127-138
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• 2004

We obtained the chemical shifts of amide protons (NHs) in helical peptides at various temperatures and trifluoroethanol (TFE) concentrations using 2-dimensional NMR spectroscopy. These NH chemical shifts and their temperature dependence exhibited characteristic periodicity of 3-4 residues per cycle along the helix, where downfield shifted NHs showed larger temperature dependence. In an attempt to understand these observations, we focused on hydrogen bonding changes in the peptides and examined the validity of two possible explanations: (1) changes in intermolecular hydrogen bonding caused by differential solvation of backbone carbonyl groups by TFE, and (2) changes in intramolecular hydrogen bonding due to disproportionate variations in the hydrogen bonding within the peptide helix. Interestingly, the slowly exchanging NHs, which were on the hydrophobic side of the helix, showed consistently larger temperature dependences. This could not be explained by the differential solvation assumption, because the slowly exchanging NHs would become more labile if the preceding carbonyl groups were preferentially solvated by TFE. We suggest that the disproportionate changes in intramolecular hydrogen bonding better explain both the temperature dependence and the exchange behavior observed in this study.

• 한국자기공명학회논문지
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• 제12권1호
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• pp.51-59
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• 2008

Convection effect in liquids has been one of the main targets to be overcome in pulsed-field-gradient NMR measurements of self-diffusion coefficients since the temperature gradient along the sample tube generated by the heating and/or cooling process causes the effect, resulting in additional diffusion. It is known that the capillary is the most appropriate tube type for diffusion experiments at variable temperatures since the narrower tube suppresses convection effectively. For evaluating the properties of hydrogen bonding, diffusion coefficients of the $K^+$-complexed and free valinomycin in a micro tube have been determined at various temperatures. From the analysis of the obtained diffusion coefficient values, we could conclude that the intramolecular hydrogen bonding in both of the $K^+$ complexed and free valinomycin in a non-polar solvent is preserved over the observed temperature range, and the temperature dependence of hydrogen bonding is more pronounced in free valinomycin. It is also thought that there is no big change in the radius of the $K^+$-complexed as temperature is varied, and the ratio of overall radius, $r_{complex}/r_{free}$ is slightly decreased as temperature rises.

• Bulletin of the Korean Chemical Society
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• 제13권1호
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• pp.11-17
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• 1992

Vibration-to-vibration energy transfer probabilities for $HF(v=n)+H_2(v=0){\to}HF(v=n-1)+H_2(v=1)$ and $DF(v=n)+D_2(v=0){\to}DF(v=n-1)+D_2(v=1)$ including both the vibration-to-vibration and translation (V-V, T) and vibration-to-vibration and rotation (V-V, R) energy transfer paths have been calculated semiclassically using a simplified collision model and Morse-type intermolecular interaction potential. The calculated results are in reasonably good agreement with those obtained by experimental studies. They also show that the transition processes for $HF(v=1-3)+H_2(v=0){\to}HF(v=0-2)+H_2(v=1)$ and $DF(v=1,\;4)+D_2(v=0){\to}DF(v=0,\;3)+D_2(v=1)$ are strongly dependent on the V-V, T path at low temperature but occur predominantly via the V-V, R path with rising temperature. The vibration-to-vibration energy transfer for $HF(v=4)+H_2(v=0){\to}HF(v=3)+H_2(v=1)$ and $DF(v=2-3)+D_2(v=0){\to}DF(v=1-2)+D_2(v=1)$ occur predominantly via V-V, R path and V-V, T path through whole temperatures, respectively.

• Bulletin of the Korean Chemical Society
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• 제6권1호
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• pp.23-29
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• 1985

The charge-transfer complexing properties of 1-methyl nicotinamide (MNA), an acceptor, and adenine, a donor, were investigated in water and SDS micellar solutions in relation to the intramolecular interaction in nicotinamide adenine dinucleotide ($NAD^+$). The spectral and thermodynamic parameters of MNA-indole and methyl viologen-adenine complex formations were determined, and the data were utilized to evaluate the charge-transfer abilities of MNA and adenine. The electron affinity of nicotinamide was estimated to be 0.28 eV from charge-transfer energy $of{\sim}300$ nm for MNA-indole. The large enhancement of MNA-indole complexation in SDS solutions by entropy effect was attributed to hydrophobic nature of indole. The complex between adenine and methyl viologen showed an absorption band peaked near 360 nm. The ionization potential of adenine was evaluated to be 8.28 eV from this. The much smaller enhancement of charge-transfer interaction involving adenine than that of indole in SDS solutions was attributed to weaker hydrophobic nature of the donor. The charge-transfer energy of 4.41 eV (280 nm) was estimated for nicotinamide-adenine complex. The spectral behaviors of $NAD^+$ were accounted to the presence of intramolecular interaction in $NAD^+$, which is only slightly enhanced in SDS solutions. The replacement of nicotinamide-adenine interaction in $NAD^+$ by intermolecular nicotinamide-indole interaction in enzyme bound $NAD^+$, and guiding role of adenine moiety in $NAD^+$ were discussed.

• Bulletin of the Korean Chemical Society
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• 제20권8호
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• pp.897-904
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• 1999

We have presented the thermodynamic, structural and dynamic properties of liquid pentane isomers - normal pentane, isopentane, and neopentane - using an expanded collapsed atomic model. The thermodynamic properties show that the intermolecular interactions become weaker as the molecular shape becomes more nearly spherical and the surface area decreases with branching. The structural properties are well predicted from the site-site radial, the average end-to-end distance, and the root-mean-squared radius of gyration distribution func-tions. The dynamic properties are obtained from the time correlation functions - the mean square displacement (MSD), the velocity auto-correlation (VAC), the cosine (CAC), the stress (SAC), the pressure (PAC), and the heat flux auto-correlation (HFAC) functions - of liquid pentane isomers. Two self-diffusion coefficients of liquid pentane isomers calculated from the MSD's via the Einstein equation and the VAC's via the Green-Kubo relation show the same trend but do not coincide with the branching effect on self-diffusion. The rotational re-laxation time of liquid pentane isomers obtained from the CAC's decreases monotonously as branching increases. Two kinds of viscosities of liquid pentane isomers calculated from the SAC and PAC functions via the Green-Kubo relation have the same trend compared with the experimental results. The thermal conductivity calculated from the HFAC increases as branching increases.

• Archives of Pharmacal Research
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• 제5권2호
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• pp.79-86
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• 1982

Sulfisoxazole, $C-{11}H_{13}N_{3}S$, crystallized in the orthohombic system, space group Pbca, with a = 14.492(1), b = 11.563(1), c = 14.900(2) $\AA$ and Z = 8. Intensities for 1867(1360 observed) unique reflections were measured on a four-circle diffractometer wirh CuKa radiation ($\lambda$ = 1.5418$\AA$). The structure was solved by heavy atom methods and refined by full-matrix least-squares procedures to a final R of 0.094. The benzene ring plane makes an angle of $68^{\circ}C$ with the plane of the isoxazole ring, which is plannar. The conformational angle formed by the torsional angle C(4)-S-N(2)-C(7) is $54^{\circ}C$. There are two intermolecular hydrogen bonds in the structure. One of them is of the type N-H...H with the length 2.915$\AA$. Thus two dimensional networks of hydrogen bonds form infinite moelcular sheets parallel to the (001) plane. Adjacent sheets are bound together by van der Waals forces.