• Bulletin of the Korean Chemical Society
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• v.23 no.6
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• pp.891-896
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• 2002

The structures and energies of p-tert-butylcalix[4]crown-6-ether(1) in various conformers and their alkyl ammonium complexes have been calculated by ab initio HF/6-31G quantum mechanics method. We have tried to obtain the relative affinity of partial-cone and 1,3-alternate conformers of 1 for alkyl ammonium guests by comparison with its cone-shaped analogue. We have also calculated the relative complexation efficiency of these host-guest complexes focusing on the binding sites of $crown-\sigma-enther$ moiety or benzene-rings pocket of the host molecule 1. These calculations revealed that the crown moiey has better complexation efficiency than upper rim part of calyx[4]arene that is in similar trend to the cone-shaped complexes.

• Journal of the Korean housing association
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• v.24 no.3
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• pp.65-72
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• 2013

The old couple household is also growing up with the growth of the aged so this is problem that needs to consider the home welfare service aspect. Otherwise, by the decrease of the number of the child and facilities' space availability, the government searching for proper usage of that kind of space in terms of financial and administration. So this study have combining of elementary school and home care for the aged facility especially for the increase of home care for the aged service facilities and improvement of using elementary school's space. That will increase the elderly cares and have need the homewelfare-service in the future, we select study elderly welfare facilities. We use analysis that analyze the trend of an elderly and social changes and conclude for the complexation of elderly welfare facilities, compound form of an elementary school, traffic line, space organization and interaction space organization.

• Journal of Pharmaceutical Investigation
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• v.18 no.4
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• pp.181-186
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• 1988

Inclusion complex of sulfamethoxazole with ${\beta}-cyclodextrin$ was prepared by freeze-drying method in molar ratios of 1:1, 1:1.25, 1:1.5 and 1:1.75, and the complex formation was identified by ultraviolet and infrared spectroscopies, powder X-ray diffractometry and differential scanning calorimetry. Dissolution rate and solid state stability of the complex were investigated in comparison with those of sulfamethoxazole powder and the physical mixture of sulfamethoxazole with ${\beta}-cyclodextrin$. As a result, the dissolution rate and the stability of solid complexes in various relative humidity conditions increased more remarkably than those of sulfamethoxazole powder and physical mixture. But the difference according to molar ratio of the complex was not recognized.

• Bulletin of the Korean Chemical Society
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• v.18 no.1
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• pp.86-91
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• 1997

Complexation of primary alkylammonium ions by 1, 3-distal calix[4]arene diesters was studied by NMR spectroscopy. The guest alkylammonium ions are found to bind mainly to the two ester moieties and are oriented outward with respect to the cone cavity of the host, forming exo-type complexes unlike the case of alkylammonium-calix[6]arene systems. Measurement of T1 also revealed that the primary binding site is the two ester moities and phenolic OH groups. The temperature dependence of the chemical shifts of phenolic OH protons in these diesters correlates with the basicity of the solvent moderately well and the temperature coefficients of their chemical shifts are found to significantly decrease upon complexation with propylammonium ion.

• Bulletin of the Korean Chemical Society
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• v.19 no.1
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• pp.68-74
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• 1998

The complexation of ethylammonium ion by alkyl p-tert-butylcalix[6]aryl ester derivatives was studied via measurements of proton and carbon spin-lattice relaxation times $(T_1)$ and chemical shift changes in solution state $(CDCl_3)$. The results indicate that the endo-type complexes are formed and that the overall tumbling rates of these complexes are more rapid than those of the corresponding free hosts. The association constants for these complexes in $THF-d_8$ were determined by $^1H$ NMR titration at several different temperatures to estimate the relevant thermodynamic parameters. The logK's for ethylammonium complexes of methyl, ethyl, and propyl esters at 313 K, for example, were found to be 1.56, 3.41, and 3.08, respectively. The complexes formed may be thought of as being kinetically stable in view of their $^1H$ NMR behavior in 2 : 1 host/guest solution.

• Bulletin of the Korean Chemical Society
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• v.17 no.11
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• pp.1004-1009
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• 1996

The interactions between a rod-coil liquid crystalline oligomer, ethyl 4-[4'-oxy-4-biphenylcarbonyloxy]-4'-biphenylcarboxylate with poly(ethylene oxide) (DP=12) (12-4) and LiCF3SO3 have been characterized by using Raman spectroscopy. Band assignments were made comparing the spectrum of 12-4 with those of the poly(ethylene glycol) monomethyl ether(PEGME) (Mw=550) and the ethyl-4'-hydroxybiphenyl-4-carboxylate (EHBPC), which are the coil and mesogen analogues, respectively. Analyzing characteristic bands of the 12-4-salt complex, we have found that the bands belonging to the coil and mesogenic units are changed in both intensities and frequencies. The spectral changes were interpreted from the viewpoint of the complexation between 12-4 and the Li+ ion. However, the possibility that the spectral changes in the mesogenic unit are not due to the complexation with the Li+ ion, but due to the conformational changes by the intercalation of nondissociated LiCF3SO3, is not ruled out.

• Bulletin of the Korean Chemical Society
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• v.16 no.11
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• pp.1046-1056
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• 1995

A topological theory has been introduced to evaluate the degree of complexation and the viscosity of polymer complexes by extending the theory of Iliopoulos and Audebert for aqueous polymer solutions. The previous theory of Iliopoulos and Audebert has offered only a semiquantitative theoretical model for polymer complex systems, whereas our present work gives a general theoretical model applicable to all the polymer complex systems. Their theories considered only the physical property term caused by the displacement of complexed points between polymer solute chains, while our theory deals with all the physical effects, caused by the displacement of complexed points entangled points in polymer solute chains. There have been predicted the characteristics of physical properties from the expression. It is exposed that the predictive values show good agreement with the experimental data for polymer complexes.

• Bulletin of the Korean Chemical Society
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• v.14 no.4
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• pp.444-449
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• 1993

Anaerobic oxidation of D-penicillamine by Fe(III) in acidic solution has been studied kinetically by the use of stopped-flow system. The reaction is biphasic with a rapid complexation of 1: 1 complex, $Fepen^+$ (pen= D-penicillamine dianion) which is then internally reduced to Fe(II) and disulfide. Rates of both the complexation and the redox process are pH dependent and also are affected by the presence of chloride ion. Different from the reaction of Cu(II) with D-penicillamine, partially oxidized mixed-valence complex is not formed even transiently in this reaction.

• Bulletin of the Korean Chemical Society
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• v.14 no.4
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• pp.453-457
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• 1993

Cadmium(II) complexation by a well characterized soil fulvic acid (FA) from the Okchun Metamorphic Belt were studied at pH of 6.0 in 0.1 M $NaClO_4$ using the ultrafiltration technique. The conditional stability constants thus obtained were log K= 3.90${\pm}$0.15 and 3.99${\pm}$0.12 $L{\cdot}mol^{-1}$ at fulvic acid concentrations of 101 and 226 mg${\cdot}L^{-1}$ respectively. When free cadmium ion concentration was measured directly using an ion selective electrode, log K of 4.12${\pm}$0.03 $L{\cdot}mol^{-1}$ was obtained. These results show that fulvic acid forms predominately 1 : 1 complex with $Cd^{2+}$ ions. The maximum binding ability of this polyelectrolyte material was 0.886 mmol Cd/g FA. The average gram formula weight of fulvic acid was estimated to be 1130 daltons.

• Bulletin of the Korean Chemical Society
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• v.22 no.11
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• pp.1248-1254
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• 2001

The conformations and energies of p-tert-butylcalix[4]crown-6-ether (1) and its alkyl ammonium complexes have been calculated by ab initio HF/6-31G quantum mechanics method. The cone conformation was found to be most stable for free host 1. We hav e determined the binding site of these host-guest complexes focusing on the crown-6-ether or p-tert-butylcalix[4]arene pocket of the cone conformation of host molecule 1. The primary binding site of host 1 for the recognition of alkyl ammonium guests was confirmed to be the central part of the crown moiety of cone conformation. The complexation energy calculations revealed that the ammonium cation without alkyl group showed the highest complexation efficiency when combined with host 1, that is in satisfactory agreement with the experimental results.