• Title/Summary/Keyword: Linear solvation energy relationship

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Estimation of Bioconcentration Factors in Fish for Organic Nonelectrolytes Using the Linear Solvation Energy Relationship

  • Jung Hag Park;Eun Hee Cho
    • Bulletin of the Korean Chemical Society
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    • v.14 no.4
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    • pp.457-461
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    • 1993
  • Bioconcentration factors (BCF) in fish of organic nonelectrolytes are well correlated by a linear solvation energy relationship (LSER) of the form : log BCF= -0.95 + 4.74 $V_I/100 - 4.39{\beta} + 0.88{\alpha}$ where $V_I$ is the intrinsic solute molecular volume and ${\beta}$ and ${\alpha}$ are the solvatochromic parameters that measure hydrogen bond acceptor basicity and donor acidity of the compound. The LSER model can not only correlate the property with an accuracy comparable to molecular connectivity model but also provide a quantitative informationon on the nature and relative strength of solute-target system interactions affecting the property of interest. Such an information can hardly be obtained from molecular connectivity model.

MOLECULAR ORIENTATIONS OF INTRAMOLECULAR CHARGE TRANSFER AROMATIC MOLECULES IN THE ORGANIZED MEDIA

  • Shin, Dong Myung
    • Journal of Photoscience
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    • v.1 no.1
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    • pp.53-59
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    • 1994
  • Molecular orientation and polarity of solubilization site of dipolar azobenzenes solubilized in micellar solutions are discussed. The polarity of solubilization was estimated by using Taft $\pi$$^*$ scale with linear solvation energy relationship, $\Delta$E=$\Delta$E$_0$ + S($\pi$$^*$ + d$\delta$)+a$\alpha$ + b$\beta$. Hydrogen bonding effects were taken into account for the estimation of micropolarity. The polarity that azobenzenes experienced in the miceliar solutions was close to water which represented that the azobenzenes were mostly solubilized at the interface. For the orientations of azobenzenes were concerned, the nitro group of NPNOH faced the interface and the hydroxy group of NPNO$^-$ located at the interfacial area.

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Linear Solvation Energy Comparison Study in Normal Phase Liquid Chromatography Ⅰ (정상 액체크로마토그래피에서의 선형 용매화에너지 비교법 연구 Ⅰ)

  • Choe, Jang Deok;Jeong, Won Jo
    • Journal of the Korean Chemical Society
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    • v.38 no.3
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    • pp.221-223
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    • 1994
  • We tried to apply the linear solvation energy comparison method to solute retention in normal phase liquid chromatography. Correlation coefficients of regression of lnk' collected in a fixed eluent against solute polarity indices have proven to be lower than those obtained from reversed phase liquid chromatography data. This event can be attributed to complexity of solute retention process in normal phase liquid chromatography. We concluded from the regression results that each specific polarity of the stationary phase is greater than that of the mobile phase and that the difference in each polarity between the stationary phase and the mobile phase decreases as the volume fraction(${\phi}$) of the more polar solvent in the mobile phase increases. Correlations of lnk' of a single solute against solvent polarity indices have proven to be meaningless owing to covariance among the solvent polarity indices. Instead, a good linear relationship between lnk' and solvent ${\pi}^*$ was observed, and its linearity is better than that between lnk' and ${\phi}$.

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Solvent Effects on the Electronic Spectra of Some Heterocyclic Azo Dyes

  • Behera, Pradipta Kumar;Xess, Anita;Sahu, Sachita
    • Bulletin of the Korean Chemical Society
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    • v.35 no.2
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    • pp.610-616
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    • 2014
  • The influence of solvent polarity on the absorption spectra of some synthesized azo dye with heterocyclic moieties and ${\beta}$-naphthol (1-3) have been investigated using a UV-Visible spectrophotometer. The spectral characteristics of the azo dyes (1-3) in different solvents at room temperature were analyzed. The solvatochromic empirical variables like ${\pi}^*$, ${\alpha}$, and ${\beta}$ have been used to discuss the solvatochromic behaviour of the dyes and to evaluate their contributions to the solute-solvent interactions. A multi-parameter regression model for quantitative assessment of the solute/solvent interaction and the absorption has been used to explain the solvent effect on azo dyes (1-3).

Evaluation of Methyl Methacrylate-Butyl Methacrylate Copolymer Films and Kinetics of Nitrofurazone Release (메칠메타크릴레이트-부틸메타크릴레이트 공중합체 필름의 평가 및 니트로푸라존 방출의 속도론적 연구)

  • Chun, In-Koo
    • Journal of Pharmaceutical Investigation
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    • v.17 no.3
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    • pp.111-126
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    • 1987
  • Methyl methacrylate-butyl methacrylate copolymer (MMBM)-dibutyl phthalate (DBP) films were investigated as a potential topical drug delivery system for the controlled release of nitrofurazone. The kinetic analysis of release data indicated that drug release followed a diffusion-controlled granular matrix model, where the quantity released per unit area is proportional to the square root of time. DBP of several hydrophobic plasticizers selected was found to give the highest release of nitrofurazone. However, hydrophilic plasticizers such as propylene glycol and polyethylene glycol 400 had no controlled release properties and acceptable film formation. The effects of changes in film composition, drug concentration, film thickness, pH of release medium, and temperature on the in vitro release of nitrofurazone were analyzed both theoretically and experimentally. The release rate constant (k') was found to be proportional to DBP content, pH, and the temperature of release medium, but independent of film thickness, and drug concentration in a range of 0.1-0.4% by weight. The linear relationship was found to exist between the log k' and DBP content. The release of nitrofurazone from MMBM-DBP (8:2) films was found to be an energy-linked process. Two energy terms were calculated ; the activation energy for matrix diffusion was 13.45 kcal/mole, and the heat of drug crystal solvation was 27.26-29.34 kcal/mole. Observation of scanning electron micrographs and microscopic photographs showed that the incorporation of DBP in films increased markedly the particle size of nitrofurazone dispersed in the film matrix, comparing with the fine dispersion of nitrofurazone in pure MMBM film alone.

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