• Bulletin of the Korean Chemical Society
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• v.32 no.6
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• pp.2063-2069
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• 2011

We studied the interaction of 3,3',3'',3'''-ethylenetetrakis-4-hydroxycoumarin (EHC) with bovine serum albumin (BSA) in acetate buffer and phosphate buffer with different pH values by UV-vis absorption spectrometry and fluorescence spectrometry respectively. It was found that the pH values of the buffer solutions had an effect on the interaction process. In acetate buffer of pH 4.70, the carbonyl groups in EHC bound to the amino groups in BSA by means of hydrogen bond and van der Waals force, which made the extent of peptide chain in BSA changed. By contrast, in phosphate buffer of pH 7.40, hydrophobic force played a major role in the interaction between EHC and BSA, while the hydrogen bond and van der Waals force were also involved in the interaction. The results of spectrometry indicated that BSA could enhance the fluorescence intensity of EHC by forming a 1:1 EHC-BSA fluorescent complex through static mechanism at pH 4.70 and 7.40 respectively. Furthermore, EHC bound on site 1 in BSA.

• Korean Chemical Engineering Research
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• v.48 no.2
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• pp.224-231
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• 2010

In GvdW EOS, a recently presented paper, shows that the characteristic status for spherical non-linear particle, of which the mutual behavior is known to be vdWf(van der Waals force) only, could be described well enough in the critical region. However, in current papers, analysis has not been done on GvdW about whether it is accurate or not, even for the particles in the linear form or those with the additional mutual behavior such as static-electricity, so there's some argument about the wide use of that. Therefore, in this paper, for the simulation in the critical region of Normal-alkane group(R=methane, ethane, propane, butane) which are the particles that has a linear charateristic and Normal-amine group($RNH_2$, R=methyl-, ethyl-, propyl-amine) where static-electricity is extremely shown, GvdW parameter values about these particles are defined, and based on this simulation, we compared results to the current EOS presented recently, and analyzed them. Through the simulation, it was shown that in case of Normal-alkane group and Normal-amine group molecules, GvdW presents an accurate critical region characteristic which is far more close to the measurement compared to current EOSs. Especially for butane with big amount in molecules, we found out that only GvdW EOS can reach close enough to the critical point.

• Journal of the Korean Chemical Society
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• v.22 no.2
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• pp.86-94
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• 1978

The crystal and molecular structure of theophylline hydrochloride has been determined from X-ray data by Patterson techniques. The structure has been refined by block-diagonal least-squares and Fourier synthesis on three dimensional data. The unit cell is orthorhombic, space group $P_{na21}$, with a = 14.01, b = 11.49, c = 6.77${\AA}$, and contains four molecules. The final R value based on 743 observed reflexions is 12.2%. The intramolecular distances are similar to those in other compounds containing a purine or pyrimidine group. The molecules are nearly planar and are stacked in layers parallel to the (001)plane. The chlorine atom is coordinated to N(1) atom at a distance of 3.06${\AA}$. The structure is stabilized mainly by van der Waals interactions; however, a short N${\cdot}{\cdot}{\cdot}$Cl contact of length $3.06\AA$, which is slightly less than the expected van der Waals separation, suggest that weak charge transfer interaction may be present. The relationship between this structure and the known structures of theophylline monohydrate and caffeine monohydrate are discussed.

• Proceedings of the Materials Research Society of Korea Conference
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• 2006.05a
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• pp.20.1-20.1
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• 2006

• Proceedings of the International Microelectronics And Packaging Society Conference
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• 2002.05a
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• pp.193-197
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• 2002

The tribological properties and van der Waals attractive forces and the thermal stability of films are very important characteristics of highly hydrophobic fluorocarbon (FC) films for the long-term reliability of nano system. The effect of thermal annealing on films and van der Waals attractive forces and friction coefficient of films have been investigate d in this study. It was coated Al wafer which was treated O2 and Ar that ocatfluorocyclobutane ($C_4_{8}$) and Ar were supplied to the CVD chamber in the ratio of 2:3 for deposition of FC Films. Static contact angle and dynamic contact angle were used to characterize FC films. Thickness of films was measured by variable angle spectroscopy ellipsometer (VASE). Nanotribological data was got by atomic force microscopy (AFM) to measure roughness, lateral force microscopy (LFM) to measure friction force, and force vs. distance (FD) curve to evaluate adhesion force. FC films were cured in N2 and vacuum. The film showed the slight changes in its properties after 3 hr annealing. FTIR ATR studies showed the decrease of C-F peak intensity in the spectra as the annealing time increased. A significant decrease of film thickness has been observed. The friction force of Al surface was at least thirty times higher than ones with FC films. The adhesive force of bare Al was greater than 100 nN. After deposit FC films adhesive force was decreased to 40 nN. The adhesive force of films was decreased down to 10 nN after 24 hr annealing. During 24 hr annealing in $N_2$and vacuum at $100^{\circ}C$ film properties were not changed so much.

• Journal of the Korean Chemical Society
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• v.21 no.5
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• pp.320-329
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• 1977

p-Phenylenediamine dihydroperchlorate, $C_6H_4N_2H_4{\cdot}2HC1O_4$, crystallizes in space group $P\={1}$ with $a=4.79{\pm}0.02,\;b=9.03{\pm}0.02,\;c=7.12{\pm}0.03{\AA},\;{\alpha}=109.4{\pm}0.2,\;{\beta}=79.6{\pm}0.2,\;r=104.6{\pm}0.2^{\circ},\;Z=1$. The structure has been solved by the Patterson and Fourier methods. The refinement by block-diagonal least-squares cycles gives R = 0.13 for 387 observed reflexions collected on equi-inclination Weissenberg photographs with CuK${\alpha}$ radiation. There are two different types of five hydrogen bonds. The first type consists of one trifurcated N${\cdot}{\cdot}{\cdot}$O hydrogen bond and the second of two normal N${\cdot}{\cdot}{\cdot}$O hydrogen bonds, both of which exist between the amino group and the perchlorate, groups. A p-phenylenediamine group is approximately planar within an experimental error and bonded to twelve perchlorates: ten perchlorates forming hydrogen bonds and two being contacted with the van der Waals forces. A perchlorate group is surrounded by six p-phenylenediamines and four perchlorates; among the six p-phenylenediamines, five of them are hydrogen-bonded, and the rest contacted with the van der Waals force.ce anaysis of our samples and investigated the variarions in the values of parameters obtained through fitting the theoretical impedance to the experimental impedance. The characters of the dielectric constant and the impedance showed abnormal variations for the 0.2 at K-doped NSBN ceramics, which we were able to interpret in terms of the variations in the number A-site vacancies with the K doping ratio. From these results, A-site vacancies are thought to be space charges that influence the ferroelectric properties of NSBN ceramics.

• Nuclear Engineering and Technology
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• v.47 no.6
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• pp.662-668
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• 2015

A suspension of titanium nanoparticles (Ti NPs) in liquid sodium (Na) has been proposed as a method to mitigate the violent sodium-water reaction (SWR). The interparticle potential between Ti NPs in liquid Na may play a significant role in the agglomeration of NPs on the reaction surface and in the bulk liquid Na, since the potential contributes to a reduction in the long-term dispersion stability. For the effective control of the SWR with NPs, a physical understanding of the molecular dynamics of NPs in liquid Na is key. Therefore in this study, the nonretarded Van der Waals model and the solvation potential model are employed to analyze the interparticle potential. The ab initio calculation reveals that a strong repulsive force driven by the solvation potential exceeds the interparticle attraction and predicts the agglomeration energy required for two 10-nm Ti NPs to be $4{\times}10^{-17}J$. The collision theory suggests that Ti NPs can be effective suppressors of the SWR due to the high energy barrier that prevents significant agglomeration of Ti NPs in quiescent liquid Na.

• Journal of the Semiconductor & Display Technology
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• v.6 no.4
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• pp.1-4
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• 2007

Carbon nanotube oscillators encapsulating copper nanowire were investigated by molecular dynamics simulations. The excess forces due to the carbon-carbon van der Waals interactions are higher than the excess force due to carbon-copper interactions. And the masses of copper atoms are higher than those of carbon atoms. So, the carbon atoms are easier accelerated than the copper atoms. When the encapsulated copper nanowire deforms the encapsulating nanotube, the frequency can not be estimated by the mass-frequency dependence in classical oscillation theory.

• Journal of the Semiconductor & Display Technology
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• v.6 no.1 s.18
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• pp.27-30
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• 2007

The gigahertz oscillator behavior of double-walled boron-nitride nanotube (BNNT) was investigated by using classical molecular dynamics simulations. The BNNT oscillator characteristics were compared to carbon-nanotube (CNT) and hybrid-C@BNNT oscillators. The results show that the BNNT oscillators are higher than the van der Waals force of the CNT oscillator. Since the frictional effects of BNNT oscillators are higher than that of a CNT oscillator, the damping factors of BNNT and hybrid oscillators are higher than that of a CNT oscillator.

• Preventive Nutrition and Food Science
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• v.2 no.4
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• pp.316-320
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• 1997

Phenolic acids are regarded as harmful materials in food and environment science but recently, as useful materials, and thus adsorption is recommended as an effective separation technique to recover or remove phenolic acids from diluted solution. If the adsorbed phenolic compounds were useful materials, the materials should be recovered through desorption. Desorption using supercritical carbon dioxide(SC-$CO_2$) was tried to separate food-borne phenolic acids from charcoal in single solute system. In the comparisons of desorption amounts, gallic acid had the lowest lolubiligy to SC-$CO_2$. Gallic acid has more hydroxy functional groups than the other phenolic acids, which was immiscible with nonpolar SC-$CO_2$. Ferulic acid was yielded more than p-coumaric acid, because ferulic acid had much bigger molecular weight, which was affected more by van der Waas force. It was found that the most affecting factor on desorption amounts was the solubility of phenolic acids to SC-$CO_2$. The second affecting factor was van der Waals force. Response surface methodology(RSM) was conducted to read the trend of desorption. Increasing density of SC-$CO_2$ raised solubility of phenolic acids.