• Journal of Pharmaceutical Investigation
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• v.33 no.1
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• pp.21-28
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• 2003

Ketorolac tromethamine(KT) is a nonsteroidal agent with potent analgesic and moderate anti-inflammatory activity. The lipid-water partition coefficient of KT was evaluated and KT gel was formulated as a gel containing different pH, different concentrations of polymer (poloxamer 407, carbopol 941), propylene glycol, ethanol and various enhancers. The resulting KT gels were evaluated with respect to their viscosity, in vitro drug permeation rate through hairless mouse skin and stability. In n-octanol and chloroform, the lipid-water partition coefficient of KT was the highest at pH 4 phosphate buffer. The apparent viscosity of KT gel increased with an increase in gel pH, polymer and enhancer concentration. But the apparent viscosity of KT gel decreased with an increase in ethanol concentration. The permeation rate of KT through hairless mouse skin from gels different pH was maximum at pH 4 which is close to KT $pK_{a}$ 3.54. The permeation rate decreased with an increase in polymer, propylene glycol concentration. But the permeation rate increased with an increase in ethanol. The increase of drug concentration from 1 to 3% induced linear increase in permeation rate. The best enhancer was the combination of $Labrasol^{\circledR},\;Transcutol^{\circledR}$, oleic acid and l-menthol. In the accelerated stability test(25, 40 and $50{\circ}C$), pH 5 gel was most stable and pH 4 gel was most unstable for 90 days.

• Environmental Analysis Health and Toxicology
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• v.16 no.4
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• pp.223-226
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• 2001

Acetanilide is a High Production Volume Chemical, which is produced about 2,300 tons/year in Korea as of 1998 survey. Most is used as an intermediate for synthesis of pharmaceuticals and dyes. The chemical is one of seven chemicals, which are under the frame of OECD SIDS program sponsored by National Institute of Environmental Research of Korea. Regarding the information on the environmental fate. bioconcentration is one of important factor to estimate the environmental tranfer. However, measurement of bioconcentration needs high expense and time. For this reason, OECD recommends to use BCFWIN model to estimate bioconcentration of organic chemicals, BCFWIN estimates the bioconcentration factor (BCF) of an organic compound using the log octanol-water partition coefficient (Kow) of the compound. Structures are entered into BCFWIN through SMITES (Simplified Molecular Input Line Entry System) notations. The BCFWIN method classifies a compound as either ionic or non-ionic. ionic compounds include carboxylic acids, sulfonic acids and salts of sulfonic acids, and charged nitrogen compounds (nitrogen with a + 5 valence such as quaternary ammonium compounds). All other compounds are classified as non-ionic. In this study, bioaccumulation of acetanilide was estimated using BCFWIN model based on SMIIES notation, chemical name data and partition coefficient as one of environmental fate/distribution of the chemical elements.

• Journal of Pharmaceutical Investigation
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• v.23 no.3
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• pp.41-50
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• 1993

The iontophoretic delivery across rat skin of quaternary ammonium salts (isopropamide: ISP, pyridostigmine: PS), which are positively charged over a wide pH range, was measured ill vitro. The study showed that: (a) iontophoresis significantly enhanced delivery of ISP and PS compared to respective passive transport; (b) delivery of ISP and PS was directly proportional to the applied continuous direct current density over the range of $0-0.69\;mA/cm^2;$ (c) delivery of ISP and PS was also proportional to the drug concentration in the donor compartment over the range of $0-2{\time}l0^{-2}M:$ (d) sodium ion in the donor compartment inhibited the drug transport possibly due to decreasing the electric transference number of the drug; (e) delivery of ISP and PS increased as the pH of the donor solution increased over the pH range 2-7 suggesting permselective nature of the epidermis, and inhibition of the transference number of the drugs by hydronium ion; (f) some organic anions such as taurodeoxycholate, salicylate and benzoate which form lipophilic ion-pair complexes with ISP inhibited the delivery of ISP. The degree of inhibition by the organic anions was linearly proportional to the extraction coefficient $(K_e)$ of ISP from the partition system with each counteranion between phosphate buffer (pH 7.4) and n-octanol. For PS, however, taurodeoxycholate, but not salicylate and benzoate inhibited the iontophoretic delivery. It suggests that not only sodium ion and hydronium ion but also the counteranions which form lipophilic ion-pairs with quaternary ammonium drugs are not favorable components in formulating the donor solution of the drugs to achieve an effective iontophoretic delivery.

• Journal of Pharmaceutical Investigation
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• v.31 no.3
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• pp.143-150
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• 2001

Butyrolactone ester of ceftezole (CFZ-BL) was synthesized by esterification of ceftezole (CFZ) with ${\alpha}-bromo-{\gamma}-butyrolactone$. The synthesis was confirmed by spectroscopic analysis. CFZ-BL was more lipophilic than CFZ when the lipophilicity was assessed by partition coefficients between n-octanol and water at various pH. CFZ-BL itself did not show any microbiological activity in vitro, but serums taken after oral administration of CFZ-BL showed substaintial microbiological activity indicating that CFZ-BL is converted to microbiologically active metabolite, probably CFZ, in the body. The conversion was confirmed by in vitro incubation study, in which CFZ-BL was incubated in some body tissues of rabbit. Liver homogenate showed fastest conversion of CFZ-BL among the tissues tested (blood and intestine). Thus, CFZ-BL appeares to be rapidly metabolized in the liver to CFZ following oral administration. The metabolism process appears to be hydrolysis of the ester to CFZ, the parent drug of CFZ-BL. In vivo metabolism of CFZ-BL to CFZ was confirmed by analying CFZ by HPLC. CFZ concentration in the serum samples taken after oral administration of CFZ-BL were higher than those in the serum samples taken after oral administration of equivalent amount of CFZ. Oral bioavailability of CFZ-BL, a prodrug of CFZ, was 1.45-fold higher than that of CFZ in rabbits possibly due to enhanced lipophility and absorption of the prodrug.

• Korean Journal of Fisheries and Aquatic Sciences
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• v.22 no.3
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• pp.121-128
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• 1989

Volatile compounds were collected by simultaneous distillation extraction and carbon dioxide method, and analyzed by GC and GC-MS. The neutral fraction obtained from the whole steam volatile concentrate 55 kinds of components, phenolic fraction had 4 kinds of components, basic fraction had 13 kinds of components and 10 kinds of components were in acidic fraction. Alcohols, propanols, butanols, octanols, dodecanols etc. and aldehydes, pentanals, hexanal, 2-methyl-1-propanal, heptenal etc. were highly increased after boiled and roasted. And these compounds were contributed to formation of filefish flavor. The molecular ion peak of phenolic fraction was generally appeared in the range 100 to about 160. From the basic fraction, 2-methylpyrazine, 2,5-dimethylpyrazine, 2-ethyl-3,5-di-methylpyrazine and 2-methylpyridine were identified. The contents of basic compounds and furans obtained from the neutral fraction were increased at the higher heating temperature. The flavor of acidic fraction was influenced by the low molecular as isovaleric and valeric acid.

• Korean Journal of Fisheries and Aquatic Sciences
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• v.53 no.3
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• pp.273-280
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• 2020

Volatile compounds in fermented ascidians Halocynthia roretzi were analyzed to identify key flavor compounds using SPME/GC/MSD (solid phase microextraction/gas chromatography/mass selective detector) after 60 days of fermentation at 5℃. The control was chopped ascidians subject to anti-browning and 4% salt treatment. product A was made from product C by adding an alcohol extract of red peppers and onion peel, 0.1% of glucose, and 0.55% of mixed amino acids (MAA; 0.05% Glu, 0.1% Pro, 0.3% Ala, and 0.1% Gly). After blanching and anti-browning treatment of chopped ascidians, Product B1 was made by adding 3% anchovy sauce and 6% sorbitol. Product B2 was made by adding 0.1% glucose and 0.55% MAA to Product B1. In total, 78 compounds were identified, including 31 alcohols, 15 aldehydes, and 10 ketones. The alcohols included 12 compounds from the C8-C10 series with floral and fruit odors, including octanol, 3-methyloctanol, 2,6-dimethyl-1-heptanol, (E)-5-octen-1-ol, 6-methyloctanol, (E)-3-octen-1-ol, (E)-3-decen-1-ol, (Z)-1,5-octadien-3-ol, and nonanol. These were detected in high amounts in ascidians and all fermented products. Aldehydes (octanal, (E)-2-octenal, 2,4-heptadienal, and nonanal) and ketones (1-oten-3-one and 2-heptanone) with fatty and mushroom odors were detected as major compounds, whereas nine ethyl esters were detected only in product A.

• Korean Journal of Human Ecology
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• v.4 no.1
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• pp.79-92
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• 2001

E. coli transformants EC3, EC4. and EC6. harboring citron oil degrading pathway genes, were co-cultured in M9 media with citron oil as a sole carbon source at 28$^{\circ}C$. Each co-culture(EC3+EC4, EC3+EC6, EC4+EC6 and EC3+EC4+EC6) showed three to four times higher cell growth than each transformant single culture. Microbial conversion products from the co-cultures were determined by GC-MS. Linalool. 4-terpineol and ${\alpha}$-terpineol were the major common products from co-cultures. Various minor products also were detected and important in flavor characteristics of cultures.

• KSBB Journal
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• v.27 no.2
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• pp.91-96
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• 2012

In this study, a newly synthesized thiazolidinedione derivative, TD49 with a highly selective algicide to red tide, was examined in order to evaluate the bioconcentration on aquatic organisms of coast. BAF (accumulation of TD49 by aquatic food chain) and BCF (accumulation of TD49 by sea water) were examined employing the shrimp (Fenneropenaeus chinensis) as the feed organism, and the olive flounder Paralichthys olivaceus as a consumer in marine ecosystem. Bioconcentration degree in sea water showed that the order in P. olivaceus was viscera > gill > muscle. The average BCF values of TD49 were 67.70, 63.32 and 20.25 at viscera, gill and muscle, respectively. Bioaccumulation degree using feed showed that the order in the organs of P. olivaceus was viscera > gill > muscle. The average BAF values of TD49 were 175.89, 114.88 and 32.59 at viscera, gill and muscle, respectively. When compared with two results, the accumulation by the food and water was higher than that by water. After the elimination experiment in sea water, the TD49 concentration was 2.81 nmole/g in the viscera and were not found in the gill and the muscle. More than 50% of the accumulated TD49 were eliminated from viscera in 7 days and all the accumulated TD49 were eliminated from gill and muscle in 7 days. On the other hand, the octanol/water partition coefficient (log $K_{ow}$) was measured to be 3.66 and experimental BCF of this study was 67.7.

• Journal of Environmental Health Sciences
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• v.38 no.4
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• pp.360-368
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• 2012

Objective: This study was carried out to use pine needles as a passive air sampler (PAS) of atmospheric Polychlorinated Biphenyls (PCBs). Methods: PCB concentrations in ambient air ($C_a$, ng/$m^3$) and deposited on pine needles ($C_p$, ng/g dry) were analyzed simultaneously from June 1 to December 31. Air samples were taken using a low volume PUF active air sampler and the overall average air volume was about 900-1,000 $m^3$. Pine needles were collected at the end of August and December near the air sampler. Results: $C_a$ were higher at higher air temperature and lower chlorinated PCB congeners, but $C_p$ showed irregular distribution. The average PCB sampling rates from air to pine needles were 0.116 (0.002-0.389) $m^3$/day - g dry. Conclusions: A poor correlation was shown between $C_a$ and $C_p$. However, a good correlation was shown between the logarithm of octanol-air partitioning coefficient ($logK_{oa}$) and log ($C_p/C_a$), and the interrelation was better with longer sampling time (June to December) than shorter sampling time (June to August). The average PCB sampling rates from air to pine needles were the lowest with respect to PUF disk, XAD-2 resin and semipermeable membrane devices (SPMDs) PAS. The average ratio ($C_{a-calc}/C_{a-meas}$) of calculated ($C_{a-calc}$) and measured ($C_{a-meas}$) PCB concentration was 0.69 with a shorter sampling time and 1.24 with a longer, so $C_{a-calc}$ was close to $C_{a-meas}$. It was found that pine needles can be used as PAS of atmospheric PCBs, and are especially suitable for long-time PAS.

• Bulletin of the Korean Chemical Society
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• v.35 no.12
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• pp.3637-3641
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• 2014

In this study, we analyzed the toxicity of mixtures of dimethylformamide (DMF) and methyl ethyl ketone (MEK) or DMF and toluene (TOL) and predicted their toxicity using quantitative structure-activity relationships (QSAR). A QSAR model for single substances and mixtures was analyzed using multiple linear regression (MLR) by taking into account the statistical parameters between the observed and predicted $EC_{50}$. After preprocessing, the best subsets of descriptors in the learning methods were determined using a 5-fold cross-validation method. Significant differences in physico-chemical properties such as boiling point (BP), specific gravity (SG), Reid vapor pressure (rVP), flash point (FP), low explosion limit (LEL), and octanol/water partition coefficient (Pow) were observed between the single substances and the mixtures. The $EC_{50}$ of the mixture of DMF and TOL was significantly lower than that of DMF. The mixture toxicity was directly related to the mixing ratio of TOL and MEK (MLR $EC_{50}$ equation = $1.76997-1.12249{\times}TOL+1.21045{\times}MEK$), as well as to SG, VP, and LEL (MLR equation $EC_{50}=15.44388-19.84549{\times}SG+0.05091{\times}VP+1.85846{\times}LEL$). These results show that QSAR-based models can be used to quantitatively predict the toxicity of mixtures used in manufacturing industries.