• Journal of the Society of Cosmetic Scientists of Korea
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• v.15 no.1
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• pp.51-62
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• 1989

Inclusion complex formation of octyldimethl p-aminobenzoate with $\beta$-cyclodextrin in aqueous solution and in the solid state was studied by the solubility method, spectroscopic(UV, FT-lR) and X -ray diffractometry. The solid complex of octyldimethy p-aminobenzoate with $\beta$-cyclodextrin was obtained in molar ratio of 1 : 2(guest/host). A spatial relationship between host and guest molecule was clearly reflected in the magnitude of the apparent stability constant (K') and in the stoichiometry of the inclusion complex. Furthermore, a typical type Bs phase-solubility diagram was obtained for octyldimethyl p-aminobenzoate and p -cyclodextrin in water at $25^{\circ}C$. The results indicated that the solubility of the guest molecule was higher by the formation of $\beta$-cyclodextrin inclusion complex.

• Archives of Pharmacal Research
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• v.7 no.2
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• pp.109-113
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• 1984

The critical micelle concentration (CMC) of crude ginseng saponin in water was determined by fluorometry and surface-tension measurement. These two methods gave the the CMC value, 0.015g/100ml AND 0.013G/100ml, respectively. The surface excess of the saponin and the area occupied by a saponin molecule at the monolayer adsorbed at air and waterinterface were calculated employing Gibbs adsorption equation. The presence of salt increased the surface activity of the saponin: it decreased the CMC, the surface tension at the CMC and the area occupied by a saponin molecule at the monolayer, which should be due to the salting-out effect of the salt.

• Bulletin of the Korean Chemical Society
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• v.33 no.3
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• pp.775-778
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• 2012

The potential energy surfaces of ammonia molecule adsorptions on the symmetrically chlorinated Si(100)-$2{\times}1$ surface were explored with SIMOMM:MP2/6-31G(d). It was found that the initial nucleophilic attack by ammonia nitrogen to the surface Si forms a $S_N2$ type transition state, which eventually leads to an HCl molecular desorption. The second ammonia molecule adsorption requires much less reaction barrier, which can be rationalized by the surface cooperative effect. In general, it was shown that the surface Si-Cl bonds can be easily subjected to the substitution reactions by ammonia molecules yielding symmetric surface Si-$NH_2$ bonds, which can be a good initial template for subsequent surface chemical modifications. The ammonia adsorptions are in general more facile than the corresponding water adsorption, since ammonia is better nucleophile.

• 한국신재생에너지학회:학술대회논문집
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• 2011.05a
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• pp.150.2-150.2
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• 2011

Unlike non-ionic clathrate hydrates stably formed by van der Waals interaction between a guest molecule and a surrounding host framework, ionic clathrate hydrates are stabilized by ionic interaction between an ionic guest molecule and the host water-framework. Here, we firstly described the stable entrapment of the superoxide ions in ${\gamma}$-irradiated $Me_4NOH+O_2$ hydrate. Owing to peculiar direct guest-guest ionic interaction, the lattice structure of ${\gamma}$-irradiated $Me_4NOH+O_2$ hydrate shows significant change of lattice contraction behavior even at relatively high temperature(120K). Particularly, we note that ionic-induced dimensional change is much greater than thermal-induced change. Such findings are expected to provide useful information for a better understanding of unrevealed nature of clathrate hydrate fields.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 1995.11a
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• pp.113-117
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• 1995

The mechanism of the displacement current generation for stimulation transmit observed in the present displacement current measurement and theoretically analysed. The orientational change of molecules in monolayers was discussed on the basis of the Maxwell-displacement-current obtained. Maxwell displacement current was generated from monolayers on a water surface by monolayerr compression, and it measuring technique has been applied to the study of monolayers of Dipalmitoylphosphatidyl choline (L-${\alpha}$-DPPC). Finally, We measured that differential thermal analysis(DTA) of sample. Displacement current was generated when the area per molecule about 180${\AA}$$^2$in low pressure, and it was generated when the area per molecule about 110${\AA}$$^2$in high pressure. A result of DTA was showed that temperature at 124.6$^{\circ}C$.

• Archives of Pharmacal Research
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• v.13 no.1
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• pp.43-50
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• 1990

Conformational free energy calculations using an empirical potential function (ECEPP/2) and hydration shell model were carried out on the four-4-aminodiphenyl sulfone analogues of 4, 4'-diamino-2' methyldiphenyl sulfone, 4, 2', 4-triaminodiphenyl sulfone, 4, 4'-diaminodiphenyl sulfone, and 4-aminodiphenyl sulfone as antibacterial agents on Mycobacterium lufu. The conformational energy was minimized from starting conformations which included possible combinations of torsion angles in the molecule. The conformational entropy change of each conformation was computed using a harmonic approximation. To understand the hydration effect on the conformation of the molecule in aqueous solution, the contributions of water-accessible volume and the hydration free energy of each group or atom in the lowest-free-energy conformation was calculated and compared each other. From comparison of the computed lowest-free-energy conformations of four analogues with their antibacterial activities, it is known that the conformation and the hydrophobicity of sulfonyl group and its adjacent carbon atom in each compound are the essential factors to show the strong antibacterial activity.

• KSBB Journal
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• v.17 no.2
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• pp.207-211
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• 2002

The theophylline imprinted membrane was prepared by a wet phase inversion method. Theophylline was implanted during copolymerization of acrylonitrile with acrylic acid or implanted in the dimethyl sulfoxide solution containing10 wt% copolymer, p(AN-co-AA). Rolling the glass plate, on which the copolymer solution was cast, in water removed the sponge layer and thus made the membrane symmetric. The adsorption selectivity of the membrane toward template molecule was increased with the coagulation temperature of the membrane and the initial concentration of the theophylline and caffeine mixture.

• Journal of the Korean Applied Science and Technology
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• v.6 no.1
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• pp.59-66
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• 1989

Inclusion complex formation of octyldimethyl p-aminobenzoate with ${\beta}-cyclodextrin$in aqueous solution and in the solid state was studied by the solubility method, spectroscopic (UV, FT-IR) and X-ray diffractornetry. The solid complex of octyldimethyl p-aminobenzoate with ${\beta}-cyclodextrin$ was obtained in molar ratio of 1:2 (guest/host). A spatial relationship between host and guest molecule was clearly reflected in the magnitude of the apparent stability constant (K') and in the stoichiometry of the inclusion complex. Furthermore, a typical type Bs phase-solubility diagram was obtained for octyldimethyl p-aminobenzoate and ${\beta}-cyclodextrin$ in water at $25^{\circ}C$. The results indicated that the solubility of the guest molecule was higher by the formation of ${\beta}-cyclodextrin$ inclusion complex.

• Proceedings of the SCSK Conference
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• 2003.09b
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• pp.192-199
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• 2003

Trimethylglycine, commonly named betaine, is the most simple amphoteric molecule. It is completely vegetal (1,2), as it is produced in the sugar industry by industrial chromatography of molasses. While abundantly used in foods and diet supplements, many interesting applications in cosmetics have recently been investigated, like its capability to increase the volume and stability of foams in surfactant solutions. For its special chemical structure (it is the internal salt of a weak acid and a strong alkali) trimethylglycine is a solvent and buffering agent for strong acids and Lewis' acids. It allows to improve the efficiency of $\alpha$- and $\beta$-hydroxy acids in increasing the physiological rate of epidermal cell renewal, while keeping a low skin-irritation level. In oral care cosmetics, it acts as a mucous membrane protectant (3). For its special water co-ordination capability, its solubilising power, polymer swelling capability, after-feel improvement in hair products, skin moisturization and elasticity enhancing properties, trimethylglycine provides unusual characteristics to many products intended for skin maintenance (4).(omitted)

• Journal of the Korean Chemical Society
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• v.60 no.6
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• pp.410-414
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• 2016

The anharmonic frequency of a local OH stretching mode of a water monomer and dimer was calculated using various levels of density functional theory. The quantum chemical potential energy curves as a function of the OH bond distance were calculated, and they were fitted with the Morse potential function to analytically obtain the fundamental transition frequency. By comparing those values with the frequencies similarly calculated using an ab initio quantum chemical method, the coupled cluster theory including both single and double excitations with the perturbative inclusion of triple excitation in the complete basis limit, the accuracy of various density functional methods in the calculation of anharmonic vibration frequency of water molecules was assessed. For a water monomer, X3LYP and B3LYP methods give the best accuracy, whereas for a water dimer, B972, LCBLYP, ${\omega}B97X$, ${\omega}B97$ methods show the best performance.