Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
권호 표지
DOI QR코드

DOI QR Code

Linear Correlation Equation for Retention Factor of Nucleic Acid Using QSPR

  • Zheng, Jinzhu (Department of Chemical Engineering, Inha University) ;
  • Han, Soon-Koo (Department of Chemical Engineering, Inha University) ;
  • Row, Kyung-Ho (Department of Chemical Engineering, Inha University)
  • Published : 2005.04.20
Download PDF
⟨ Previous Next ⟩

Abstract

In the reversed-phase chromatography, the retention time of sample was investigated based on the molecular structure of compound. Several descriptors that were related to retention factors were selected, and then the values of descriptors were calculated with several softwares. The effect of retention factor was measured with calculated values, and the results were obtained that each descriptors of molecular structure of compound have different effect on the retention factor. Therefore, the empirical equation for seven types of descriptors considered was obtained, and it has high values of correlation coefficient. Furthermore, the experimental data and calculated values have good agreement.

Keywords

References

  1. Lee, S. K.; Polyakova, Y.; Row, K. H. Bull. Korean Chem. Soc. 2003, 24, 1757 https://doi.org/10.5012/bkcs.2003.24.12.1757
  2. Han, S. K.; Zin, E.; Row, K. H. Bull. Korean Chem. Soc. 2004, 25, 1807 https://doi.org/10.5012/bkcs.2004.25.12.1807
  3. Lee, S. K; Row, K. H. Bull. Korean Chem. Soc. 2003, 24, 1265 https://doi.org/10.5012/bkcs.2003.24.9.1265
  4. Hansch, C.; Leo, A. Exploring QSAR: Fundamentals and Applications in Chemistry and Biology; Am. Chem. Soc.: Washington, DC, 1995
  5. Katritzky, A. R.; Karelson, M.; Lobanov, V. S. Pure Appl. Chem. 1997, 69, 245 https://doi.org/10.1351/pac199769020245
  6. Yao, X.; Zhang, X.; Zhang, R.; Liu, M.; Hu, Z.; Fan, B. Talanta 2002, 57, 297
  7. Dewar, M. J. S.; Helay, E. J. J. Comput. Chem. 1983, 4, 158 https://doi.org/10.1002/jcc.540040207
  8. Dewar, M. J. S.; Helay, E. J.; Stewart, J. J. Comput. Chem. 1988, 5, 358 https://doi.org/10.1002/jcc.540050413
  9. Viswanadhan, V. N.; Ghose, A. K.; Singh, C.; Wendoloski, J. J. J. Chem. Inf. Comput. Sci. 1999, 39, 405 https://doi.org/10.1021/ci980154m
  10. Ertl, P.; Rohde, B.; Selzer, P. J. Med. Chem. 2000, 43, 3714 https://doi.org/10.1021/jm000942e
  11. CS Chem Office Pro for Microsoft Windows; Cambridge Scientific Computing Inc.: 875 Massachusetts Avenue, Suite 61, Cambridge MA, 02139, USA, 2003
  12. Wiener, H. J. Am. Chem. Soc. 1947, 69, 17 https://doi.org/10.1021/ja01193a005

Cited by

  1. Synthesis and QSRR Study for a Series of Phosphoramidic Acid Derivatives vol.24, pp.2, 2013, https://doi.org/10.1002/hc.21076
  2. Retention of Large Biological Molecules by Size-Exclusion Chromatography vol.50, pp.6, 2017, https://doi.org/10.1080/00032719.2016.1205082
  3. Prediction of Retention of Nucleic Compounds Based on a QSPR Model vol.64, pp.3-4, 2006, https://doi.org/10.1365/s10337-006-0840-8
  4. Molecular modeling of wine polyphenols vol.46, pp.3, 2009, https://doi.org/10.1007/s10910-009-9552-2
  5. Using linear solvation energy relationship model to study the retention factor of solute in liquid chromatography vol.25, pp.12, 2005, https://doi.org/10.1002/poc.3027
  6. ABEEM/MM OH- Models for OH-(H2O)n Clusters and Aqueous OH-: Structures, Charge Distributions, and Binding Energies vol.124, pp.28, 2005, https://doi.org/10.1021/acs.jpca.0c03941