• Journal of Korean Society on Water Environment
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• v.27 no.3
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• pp.329-333
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• 2011

p-phenylene-2,5-benzobisoxazole (PBO; Zylon$(R)$) fibers as an adsorbent were employed for solid phase extraction of aqueous alkylphenols. The removal ratios for 10 kinds of alkylphenols at initial concentration of $100{\mu}gL^{-1}$ were in the range of 16.8-96.3% and the removals increased with the increase of the phase ratio (fiber weight/solution volume). The plots of the logarithm of partition coefficient (log K) were correlated with the logarithm of the n-octanol/water partition coefficient (log P). The adsorbed alkylphenols were completely desorbed with the mixture of acetonitrile and dichloromethane.

• Journal of Soil and Groundwater Environment
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• v.27 no.6
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• pp.47-57
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• 2022

A number of different methods have been used for modeling the sorption of volatile organic chlorinated compounds such as tetrachloroethylene/perchloroethylene (PCE). In this study, PCE was adsorbed in several natural sorbents, i.e., Pahokee peat, vermicompost, BionSoil^®, and natural soil, in the batch experiments. Several sorption models such as linear, Freundlich, solubility-normalized Freundlich model, and Polanyi-Manes model (PMM) were used to analyze sorption isotherms. The relationship between sorption model parameters, organic carbon content (f_oc), and elemental C/N ratio was studied. The organic carbon normalized partition coefficient values (log K_oc = 1.50-3.13) in four different sorbents were less than the logarithm of the octanol-water partition coefficient (log K_ow = 3.40) of PCE due to high organic carbon contents. The log K_oc decreased linearly with log f_oc and log C/N ratio, but increased linearly with log O/C, log H/C, and log (N+O)/C ratio. Both log K_F,oc or log K_F,oc decreased linearly with log f_oc (R² = 0.88-0.92) and log C/N ratio (R² = 0.57-0.76), but increased linearly with log (N+O)/C (R² = 0.93-0.95). The log q_max,oc decreased linearly as log f_oc and log C/N increased, whereas it increased with log O/C, log H/C and log (N+O)/C ratios. The log q_max,oc increased linearly with (N+O)/C indicating a strong dependence of q_max,oc on the polarity index. The results showed that PCE sorption behaviors were strongly correlated with the physicochemical properties of soil organic matter (SOM).

• Korean Journal of Clinical Pharmacy
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• v.8 no.2
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• pp.133-138
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• 1998

Phthalimidyl ester of ceftezole (CFZ-PT) was synthesized as a prodrug by esterification of ceftezole (CFZ) with N-bromophthalimide. CFZ-PT was more lipophilic than CFZ when the lipophilicity was assessed by partition coefficients between n-octanol and water at various pH. The pharmacokinetic characteristic of CFZ-PT and CFZ preparations were compared following oral administrations of these compounds to rabbits. CFZ-PT is expected to be metabolized rapidly to CFZ in the body. The metabolism process appears to be hydrolysis of the ester to CFZ, the parent drug of CFZ-PT. In vivo metabolism of CFZ-PT to CFZ was confirmed in rabbit by HPLC analysis. CFZ concentration in the serum samples taken after oral administration of CFZ-PT(equivalent amount of CFZ) were released and higher than those of CFZ. Oral bioavailability of CFZ-PT was 1.9 fold higher than at of CFZ in rabbits because of enhanced lipophilicity and absorption. Finally, it was concluded that CFZ-PT appears useful as a prodrug of CFZ to improve the oral bioavailability of CFZ.

• Applied Biological Chemistry
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• v.40 no.1
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• pp.71-75
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• 1997

Important physicochemical properties of captafol [N-(1,1,2,2-tetrachloro-ethylthio)cyclohex-4-ene-1,2-dicarboximide], water solubility, vapor pressure, hydrolysis and octanol/water partition coefficient(Kow) were measured based on the standard EPA and OECD methods. Water solubility of the chemical was 2.24 ppm at $25^{\circ}C$. Half-life by hydrolysis at $25^{\circ}C$ in the buffer solution of pH 3.0, pH 7.0, and pH 8.0 was 77.8 hr, 6.54 hr and 0.72 hr, respectively, demonstrating instability in alkaline solution. The half-life in acid condition was not significantly different by temperature change, however, that in neutral or alkaline solution became shorter at $40^{\circ}C$. Hydrolysis study with a reference compound, diazinon, proved that the experimental method of the present study is reliable. Vapor pressure of captafol, $8.27{\times}10^{-9}$ torr at $20^{\circ}C$, was calculated from the equation, log P=6.94-(4401.6/T) plotted on the experiment results under different temperature conditions, 40, 50, and $60^{\circ}C$. pressure of captafol, the contamination of captafol would not happen easily in environment by vaporization. High Kow value of 1,523 was observed and this might result in bioconcentration through food chain when captafol was exposed. However, affecting human health through aquatic bioaccumulation is not likely to occur due to its rapid hydrolysis in the environment.

• Analytical Science and Technology
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• v.6 no.1
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• pp.1-8
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• 1993

The purpose of this study is to investigate the elution behavior of monosubstituted phenols and benzenes in micellar liquid chromatographic system, $C_{18}$ column-anionic surfactant, sodium dodecyl sulfate(SDS). The partition coefficients between the micellar pseudophase-water and modified stationary phase-water are calculated by the relationship between solute retention and micellar mobile phase(SDS) composition. The free energy of transfer of solute from water to micelle is also calculated from these values. There is a direct correlation between the hydrophobicity parameters in MLC and corresponding partition data for 1-octanol-water, which indicates that the hydrophobicity of molecules plays an important role in the partition for both systems and that quantitative structure activity relationships(QSAR) are available from studies on micellar partition. The other purpose of this study is to investigate methylene selectivity of alkyl homologous series through correlation between retention and the number of carbons. The correlation between hydrophobicity parameters in MLC and 1-octanol-water partition data was also observed when n-propanol was as a modifier in the mobile phase.

• Journal of the Korean Chemical Society
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• v.53 no.3
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• pp.325-334
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• 2009

Many bacteria that are capable to tolerate and degrade organic solvents have been isolated from seawater. However, their roles in the biodegradation of organic solvents in the marine environment have remained unknown. Aeromonas hydrophila IB$B_{ct4}$, isolated from Constanta seawater, was able to tolerate and degrade different organic solvents. Toluene, styrene, xylene isomers, ethylbenzene, with the logarithm of the partition coefficient in octanol-water mixture (log $P_{ow}$) between 2.64 and 3.17, were more toxic for bacterial cells, compared with propylbenzene, n-hexane, n-heptane, with log $P_{ow}$ between 3.69 and 4.39. There were revealed cellular and molecular modifications induced by organic solvents to Aeromonas hydrophila IB$B_{ct4}$. The study of cellular and molecular modifications induced by different organic solvents showed a complex response of bacterial cells to the presence of organic solvents in the culture media.

• KSBB Journal
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• v.14 no.5
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• pp.566-571
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• 1999

Lactic acid is of interested as the raw material of biodegradable polymer. In this study lactic acid was separated by reactive extraction with mixed tertiary amine extractant dissolved in 1-octanol/n-heptane. Mixed tertiary amine extractant was composed of tripropylamine(TPA) and trioctylamine(TOA). The concentration range of lactic acid is ca. 5wt% which is the concentration of lactic acid obtained from fermentation.Maximum distribution coeficient was obtained at 8:2 weight ratio of TPA/TOA and their extraction efficiencies were above 90%.

• Archives of Pharmacal Research
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• v.21 no.2
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• pp.174-178
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• 1998

As a new colon-specific prodrug of 5-aminosalicylic acid (5-ASA), 5-aminosalicyl-glycine (5-ASA-Gly) was prepared by a simple synthetic route in good yield. Apparent partition coefficients of 5-ASA-Gly were lower than those of 5-ASA, which determined in$ CHCl_{3}$/pH 6.8 buffer or n-octanol/pH 6.8 buffer system. Stability of 5-ASA-Gly by peptidases was investigated by incubation of 5-ASA-Gly with the homogenates of tissue and contents of stomach, proximal small intestine or distal small intestine of rats at $37^{\circ}C$. 5-ASA was not detected, indicating that the prodrug was stable in the upper intestine. The amount of 5-ASA liberated from incubation of the prodrug in cecal or colonic contents of rats was about 65% or 27% in 8 hrs, respectively, which indicated that the prodrug activation took place more readily in the rat cecum whose bacterial counts are high like human colon. Results from in vitro experiments suggested 5-ASA-Gly as a promising candidate of a colon-specific prodrug of 5-ASA.

• Proceedings of the Korean Society of Applied Pharmacology
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• 1993.04a
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• pp.107-107
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• 1993

결과 및 고찰: 이 약의 흰쥐에서의 체내동태는 혈중농도로 볼 때 2-exponential pharmacokinetics에 따르고, HPLC법으로 정량한 경우의 $T_1$/$_2$$\alpha$, $T_1$/$_2$$\beta$, AUC, C $L_{T}$, C $L_{R}$, V $D_{SS}$ 는 각각 1.90min, 21.89min, 1899.36$\mu\textrm{g}$ㆍmin/ml, 10.66ml/min/kg, 7.48ml/min/kg, 0.28l/kg으로 bioassay법과는 약간의 차이를 보였다. 분포특성은 간장과 신장에 많이 이행하였으며, 폐로의 이행도 적지만 관찰되었다. 이 약의 단백결합률은 그 농도가 31.3$\mu$M일 때 42.3%였고 water/n-octanol계에서의 유상으로의 분배는 거의 일어나지 않았다. 이 약의 분포용적이 작은 것은 단백결합 때문이라기보다는 높은 극성때문으로 추정되었다. 이 약의 C $L_{R}$은 GFR의 문헌치보다 컸으며 C $L_{T}$의 약 2/3을 차지하므로 약물소실에 있어서 신장의 기여도가 크고 신배설 과정에 신분비가 관여하고 있음을 알 수 있었다. 이런 사실은 CAZ나 CTX등의 기존 세파계 항생제들과 유사했으며, 추후 다회투여시와 용량의존적 체내동태에 관해 더 많은 연구가 필요하리라 생각되었다.되었다.

• Bulletin of the Korean Chemical Society
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• v.24 no.12
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• pp.1742-1750
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• 2003

In order to characterize the hydrophobic parameters of N-acetyl amino acid amides in 1-octanol/water, a theoretical calculation was carried out using a solvation free energy density model. The hydrophobicity parameters of the molecules are obtained with the consideration of the solvation free energy over the solvent volume surrounding the solute, using a grid model. Our method can account for the solvent accessible surface area of the molecules according to conformational variations. Through a comparison of the hydrophobicity of our calculation and that of other experimental/theoretical works, the solvation free energy density model is proven to be a useful tool for the evaluation of the hydrophobicity of amino acids and peptides. In order to evaluate the solvation free energy density model as a method of calculating the activity of drugs using the hydrophobicity of its building blocks, the contracture of Bradykinin potentiating pentapeptide was also predicted from the hydrophobicity of each residue. The solvation free energy density model can be used to employ descriptors for the prediction of peptide activities in drug discovery, as well as to calculate the hydrophobicity of amino acids.