다음과 같은 기능을 한번의 로그인으로 사용 할 수 있습니다.
NTIS 바로가기
Journal of liquid chromatography & related technologies, v.27 no.4, 2004년, pp.629 - 639
Lee, Seung (Department of Chemical Engineering, Center for Advanced Bioseparation Technology, Inha University, 253 Yonghyun‐) , Polyakova, Yulia (Dong, 402‐) , Row, Kyung (751, Nam‐)
Evaluation of predictive retention factors of phenolic compounds from their physico‐chemical and structural properties can be made successfully in terms of quantitative structure–property relationships (QSPR) equations. The relationships of correlation between retention factors of sixteen phenolic compounds reported in the bibliography and various descriptors, including binding energy (E b ), hydrophobicity (log P), hydrophilic–lipophilic balance (HLB), molecular refractivity (MR), polarizability (&agr;), water solubility (log S), and wiener index (w) were established. The empirical equations were expressed in a linear and multiple‐linear form. The results of theoretical calculations are in agreement with the experimental data. The empirical equation can be applied for prediction of the various chromatographic properties, including identification of the substances with a similar structure.
Nistor, Catalin, Emnéus, Jenny, Gorton, Lo, Ciucu, Anton. Improved stability and altered selectivity of tyrosinase based graphite electrodes for detection of phenolic compounds. Analytica chimica acta : an international journal devoted to all branches of analytical chemistry, vol.387, no.3, 309-326.
Hansch , C. and Leo , A. 1995. Exploring QSARFundamentals and Applications in Chemistry and Biology 557Washington, DC: American Chemical Society.
Hansch , C. Leo , A. and Hoekman , D. 1995. Exploring QSAR-Hydrophobic, Electronic, and Steric Constants 348Washington, DC: American Chemical Society.
Dorsey, J.G., Khaledi, M.G.. Hydrophobicity estimations by reversed-phase liquid chromatography - Implications for biological partitioning processes. Journal of chromatography A, vol.656, no.1, 485-499.
Lambert, W.J.. Modeling oil-water partitioning and membrane permeation using reversed-phase chromatography. Journal of chromatography A, vol.656, no.1, 469-484.
ChemSW, Molecular Modeling Pro for Windows
Dewar, Michael J. S., Zoebisch, Eve G., Healy, Eamonn F., Stewart, James J. P.. Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model. Journal of the American Chemical Society, vol.107, no.13, 3902-3909.
Viswanadhan, Vellarkad N., Ghose, Arup K., Revankar, Ganapathi R., Robins, Roland K.. Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics. Journal of chemical information and computer sciences, vol.29, no.3, 163-172.
Molecular Mechanics, ACS Monograph Brukert U. 1982
10.1016/S0065-3160(08)60298-1
Barnett, Spencer P., Hill, Alan P., Livingstone, David J., Wood, John. A new Method for the Calculation of Partition Coefficients from Experimental Data for Both Mixtures and Pure Compounds. Quantitative structure-activity relationships : QSAR, vol.11, no.4, 505-509.
Drug Design Hanch C. 271 1971
Russian J. Phys. Chem. Onuchak L. A. 1532 76 2002
Copyright KISTI. All Rights Reserved.
※ AI-Helper는 부적절한 답변을 할 수 있습니다.