• 제목/요약/키워드: Partition coefficient

검색결과 287건 처리시간 0.033초

Use of the Stratum Corneum Reservoir for the Prediction of Skin Penetration

  • Cholee, Ae-Ri;Tojo, Kakuji
    • Journal of Pharmaceutical Investigation
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    • 제23권3호spc1호
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    • pp.1-8
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    • 1993
  • A simple and quick method based on the transient diffusion theory for predicting the steady state rate of penetration of a drug after transdermal drug administration was proposed. The amount of drug entering the stratum corneum was determined by 20 strippings with an adhesive tape. From the profile of the amount of drug as a function of the number of strippings, the quantity of drug on the surface of stratum corneum was extrapolated. Based on the amounts of drug entering the stratum corneum during two time intervals $(t_1\;and\;t_2)$ within 1 hour after the application, the diffusion and partition coefficient were determined. Once the diffusion coefficient of the drug in the stratum corneum and the partition coefficient (stratum corneum/vehicle) were determined from the present approach, the steady-state flux of penetration across the stratum corneum was calculated. The steady-state rates of penetration of ascorbic acid and estradiol across hairless mouse skin were evaluated from this approach and compared with those obtained from ill vitro penetration experiment using excised hairless mouse skin. The data confirmed that the proposed method can predict the steady-state rate of penetration of these drugs across the stratum corneum.

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바닥재의 확산계수 및 분배계수 산정 (The Determination of Diffusion and Partition Coefficients of Indoor Bottom Finishing Materials)

  • 박진수;;김신도;윤중섭
    • 한국환경보건학회지
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    • 제34권3호
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    • pp.219-225
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    • 2008
  • Many building materials may contain high concentrations of volatile organic compounds (VOCs) and other hazardous pollutants(HAPs). Specifically, VOCs discharged by indoor building material may cause "new house" syndrome, atopic dermatitis etc. The diffusion coefficient and initially contained total VOC quantity were determined using microbalance experiments and small chamber tests. Interactions between volatile organic compounds (VOCs) and vinyl flooring (VF), a relatively homogenous, diffusion-controlled building material, were characterized. Rapid determination of the material/air partition coefficient (K) and the material-phase diffusion coefficient (D) for each VOC was achieved by placing thin VF slabs in a dynamic microbalance and subjecting them to controlled sorption/desorption cycles. K and D are shown to be independent of concentration for all of the VOCs and water vapor. This approach can be applied to other diffusion-controlled materials and should facilitate the prediction of their source/sink behavior using physically-based models.

Pharmaceutical Studies on Chitosan Matrix: Controlled release of aspirin from chitosan device

  • Lee, Chi-Young;Kim, Sung-Ho
    • Archives of Pharmacal Research
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    • 제10권2호
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    • pp.88-93
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    • 1987
  • Chitosan ($\beta$-D-glucosaminan) is chemically prepared from chitin (N-acetyl-$\beta$- D-glucosaminan) which is an unutilized natural resource. We now report on the suitability of the chitosan matrix for use as vehicles for the controlled release of drugs. Salicylic acid and aspirin were used as model drugs in this study. The permeation of salicylic acid in the chitosan membranes was determined in a glass diffusion cell with two compartments of equal volume. Drug release studies on the devices were conducted in a beaker containing 5% sodium hydroxide solution. Partition coefficient (Kd) value for acetate membrane (472) is much greater than that for fluoro-perchlorate chitosan membrane (282). Higher Kd value for acetate chitosan membrane appears to be inconsisstent with the bulk salicylic acid concentration. The permeability constants of fluoro-perchlorate and acetate chisotan membranes for salicylic acid were 3.139 ${\times}10^{-7}cm^2$ min up to 60 min and that of 30% aspirin in the devices was 4.739${\times}10^{-7}cm^2$sec upto 60 min. As the loading dose of aspirin in a chitosan device increased, water up-take of chitosan device increased, but in case of salicylic acid it decreased. The release rate increased with increase in the molecular volume of the drugs. Thses result suggest that the release mechanism may be controlled mainly by diffusion through pores.

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추출발효에 의한 알코올.제조공정 개발(III) -추출 알코올 발효에 최적인 PEG/Dx의 조성- (Process Development of Alcohol Production by Extractive Fermentation(III) -An Optimum Composition of PEG/Dx for Extractive Alcohol Fermentation-)

  • 허병기;김진한목영일
    • KSBB Journal
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    • 제8권2호
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    • pp.178-184
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    • 1993
  • Extractive fermentations with the extract of Jerusalem artichoke in an aqueous-two-phase-system of polyethyleneglycol(PEG) and dextran(Dx) were investigated to obtain the effects of composition of PEG and Dx on both fermentation ,characteristics and partition ratio of alcohol. The specific growth rate of K. Fraglis CBS 1555 increased with a decrease of concentration of PEG and Dx. It augmented along with concentration of initial sugar up to 80g/l but decreased thereafter. The specific production rate of alcohol showed a rising tendency up to 100g/lof initial sugar, whereafter represented a decreasing trend. The partition ratio of alcohol between two phases augmented according to decrease of Dx comic. and increase of PEG cone. regardless of initial sugar concentrations. The ratio, however, decreased with Increment of initial sugar concentration at constant composition of PEG and Dx. The partition coefficient of alcohol had an ascending effect to the increase of PEG cone, but it had little effect on the changes of concentrations of Dx and initial sugar. The present study suggests that the optimum composition of PEG and Dx in the aqueous-two-phase-system by extractive fermentation were around 6.5%(w/v) of PEG and 3%(w/v) of Dx in considerations of emulsion state, sedimentation and separation of two phases, alcohol partition ratio, and specific growth rate.

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Partition method of wall friction and interfacial drag force model for horizontal two-phase flows

  • Hibiki, Takashi;Jeong, Jae Jun
    • Nuclear Engineering and Technology
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    • 제54권4호
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    • pp.1495-1507
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    • 2022
  • The improvement of thermal-hydraulic analysis techniques is essential to ensure the safety and reliability of nuclear power plants. The one-dimensional two-fluid model has been adopted in state-of-the-art thermal-hydraulic system codes. Current constitutive equations used in the system codes reach a mature level. Some exceptions are the partition method of wall friction in the momentum equation of the two-fluid model and the interfacial drag force model for a horizontal two-phase flow. This study is focused on deriving the partition method of wall friction in the momentum equation of the two-fluid model and modeling the interfacial drag force model for a horizontal bubbly flow. The one-dimensional momentum equation in the two-fluid model is derived from the local momentum equation. The derived one-dimensional momentum equation demonstrates that total wall friction should be apportioned to gas and liquid phases based on the phasic volume fraction, which is the same as that used in the SPACE code. The constitutive equations for the interfacial drag force are also identified. Based on the assessments, the Rassame-Hibiki correlation, Hibiki-Ishii correlation, Ishii-Zuber correlation, and Rassame-Hibiki correlation are recommended for computing the distribution parameter, interfacial area concentration, drag coefficient, and relative velocity covariance of a horizontal bubbly flow, respectively.

BTEX 혼합물질과 액상 간 분배성 추적자의 분배계수 예측 (Estimating Partition Coefficients of Partitioning Tracers between Water and BTEX Mixtures)

  • 이성수;조상연;오명학;박준범
    • 한국지하수토양환경학회지:지하수토양환경
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    • 제12권2호
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    • pp.47-54
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    • 2007
  • 분배성 추적자 시험은 NAPLs(Nonaqueous Phase Liquids)로 오염된 대수층 및 토양 내 오염물질의 양을 예측하는 새로운 모니터링 방법으로 최근 많이 연구되고 있다. 분배성 추적자 시험은 액상과 NAPL 간에 분배되는 분배성 추적자의 분배계수를 정확히 구해야 높은 신뢰도를 가진 결과를 얻을 수 있다. 본 연구에서는 등가 알칸 탄소수(Equivalent Alkane Carbon Number; EACN) 접근법을 이용하여 액상과 벤젠, 톨루엔, 에틸벤젠, 자일렌 그리고 BTEX 혼합물질간에 분배되는 알코올 계열 추적자의 분배계수를 예측해보았다. 이 예측식을 이용한 예측값과 실험값은 BTEX 뿐만 아니라 BTEX 혼합물에서도 비교적 잘 일치하였으며, 이를 통해 추적자와 오염물질의 EACN 값을 알고 있을 경우 직접적인 분배계수 실험을 하지 않고도 간단하게 예측할 수 있음을 확인하였다.

우리나라 일부 토양에 대한 카드뮴의 토양-물 분배계수 (Soil-Water Partition Coefficients for Cadmium in Some Korean Soils)

  • 옥용식;이옥민;정진호;임수길;김정규
    • 한국토양비료학회지
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    • 제36권4호
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    • pp.200-209
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    • 2003
  • 우리나라의 몇 가지 경작지 토양을 대상으로 하여 카드뮴의 토양-물 분배계수를 측정하였다. 토양에 대한 카드뮴의 흡착은 토양 영구전하에 의한 이온교환 반응과 토양 가변전하에 의한 표면착물 반응의 합으로 표현할 수 있으며, 이때 카드뮴의 분배계수는 pH와 이론적 으로 다음의 상관관계를 갖는다. $log\;K_d=a_0+b_0{\times}pH$ (단, $a_0$$b_0$는 상수). 토양에 대한 카드뮴의 회분형 흡착실험에서 분배계수는 토양의 pH 변화에 따라 정으로 증가하였다. 그러나 pH 3.5 이하 및 pH 8.5 이상에서는 측정한 분배계수가 위의 식으로 예측한 값보다 낮게 나타났다. 이는 산성 조건에서는 알루미늄의 용해가 일어나고, 알칼리 조건에서는 토양 유기물이 용해되어 용액 내 카드뮴의 분배에 영향을 미쳤기 때문으로 판단된다. 각각의 토양에 대한 유기물 함량을 이용 해 표준화한 분배계 수 ($K_{d-om}$)에 의하여 위 식의 상관계수는 $0.52^{**}$에서 $0.70^{**}$으로 상승되어 예측력을 개선할 수 있었다. 또한, 실제 오염토양에서 측정한 분배계수와 표준화한 함수식을 이용하여 예측한 분배계수 사이에는 고도의 유의적인 상관관계 ($r^2=0.68^{**}$)를 보였다.

A new Ensemble Clustering Algorithm using a Reconstructed Mapping Coefficient

  • Cao, Tuoqia;Chang, Dongxia;Zhao, Yao
    • KSII Transactions on Internet and Information Systems (TIIS)
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    • 제14권7호
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    • pp.2957-2980
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    • 2020
  • Ensemble clustering commonly integrates multiple basic partitions to obtain a more accurate clustering result than a single partition. Specifically, it exists an inevitable problem that the incomplete transformation from the original space to the integrated space. In this paper, a novel ensemble clustering algorithm using a newly reconstructed mapping coefficient (ECRMC) is proposed. In the algorithm, a newly reconstructed mapping coefficient between objects and micro-clusters is designed based on the principle of increasing information entropy to enhance effective information. This can reduce the information loss in the transformation from micro-clusters to the original space. Then the correlation of the micro-clusters is creatively calculated by the Spearman coefficient. Therefore, the revised co-association graph between objects can be built more accurately because the supplementary information can well ensure the completeness of the whole conversion process. Experiment results demonstrate that the ECRMC clustering algorithm has high performance, effectiveness, and feasibility.

Hard 분산 분할 기반 추론 시스템을 이용한 비선형 공정 모델링 (Nonlinear Process Modeling Using Hard Partition-based Inference System)

  • 박건준;김용갑
    • 한국정보전자통신기술학회논문지
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    • 제7권4호
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    • pp.151-158
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    • 2014
  • 본 논문에서는 Hard 분산 분할 방법을 이용하는 추론 시스템을 소개하고 비선형 공정을 모델링한다. 이를 위해 입력 공간을 분산 형태로 분할하고 소속 정도가 0 또는 1을 갖는 Hard 분할 방법을 이용한다. 제안한 방법은 C-Means 클러스터링 알고리즘에 의해 구현되며, 초기 중심값에 민감한 단점을 보완하기 위해 LBG 알고리즘을 적용하여 이진 분할에 의한 초기 중심값을 이용한다. Hard 분산 분할된 입력 공간은 규칙 기반의 시스템 모델링에서 규칙을 형성한다. 규칙의 전반부 파라미터는 C-Means 클러스터링 알고리즘에 의한 소속행렬로 결정된다. 규칙의 후반부는 다항식 함수의 형태로 표현되며, 각 규칙의 후반부 파라미터들은 표준 최소자승법에 의해 동정된다. 비선형 공정으로는 널리 이용되는 데이터를 이용하여 비선형 공정을 모델링한 후 특성을 평가한다.

Physico-chemical properties of green leaf volatiles (GLV) for ascertaining atmospheric fate and transport in fog

  • Vempati, Harsha;Vaitilingom, Mickael;Zhang, Zenghui;Liyana-Arachchi, Thilanga P.;Stevens, Christopher S.;Hung, Francisco R.;Valsaraj, Kalliat T.
    • Advances in environmental research
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    • 제7권2호
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    • pp.139-159
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    • 2018
  • Green Leaf Volatiles (GLVs) is a class of biogenically emitted oxygenated hydrocarbons that have been identified as a potential source of Secondary Organic Aerosols (SOA) via aqueous oxidation. The physico-chemical properties of GLVs are vital to understanding their fate and transport in the atmosphere via fog processing, but few experimental data are available. We studied the aqueous solubility, 1-octanol/water partition coefficient, and Henry's law constant ($K_H$) of five GLVs at $25^{\circ}C$: methyl jasmonate, methyl salicylate, 2-methyl-3-buten-2-ol, cis-3-hexen-1-ol, and cis-3-hexenyl acetate. Henry's law constant was also measured at temperatures and ionic strengths typical of fog. Experimental values are compared to scarcely-available literature values, as well as estimations using group and bond contribution methods, property-specific correlations and molecular dynamics simulations. From these values, the partition coefficients to the air-water interface were also calculated. The large Henry's law constant of methyl jasmonate ($8091{\pm}1121M{\cdot}atm^{-1}$) made it the most significant GLV for aqueous phase photochemistry. The HENRYWIN program's bond contribution method from the Estimation Programs Interface Suite (EPI Suite) produced the best estimate of the Henry's constant for GLVs. Estimations of 1-octanol/water partition coefficient and solubility are best when correlating an experimental value of one to find the other. Finally, the scavenging efficiency was calculated for each GLV indicating aqueous phase processing will be most important for methyl jasmonate.