QSRR models of veterinary drugs in milk in ultra-performance liquid chromatography coupled to time of flight mass spectrometry

Noorizadeh, Hadi; Esmaeilpoor, Sharmin; Moghadam, Zohreh; Nosratolahy, Shahnaz

Document Type : Original Research Article

Authors

¹ Department of Chemistry, Payame Noor University of ilam, Ilam, Iran

² Department of Chemistry, Payame Noor University, P.O. BOX 19395-4697 , Tehran, Iran

³ Education Ilam, Fazilat Girls High School

Abstract

The veterinary drugs residues are also important pollutants found in milk, since veterinary drugs are commonly used in cattle management. Considering the role of milk in human nutrition and its wide consumption throughout the world, it is very important to ensure the milk quality. A quantitative structure–retention relationship (QSRR) was developed using the partial least square (PLS), Kernel PLS (KPLS) and Levenberg-Marquardt artificial neural network (L-M ANN) approach for chemometrics study. Genetic algorithm was employed as a factor selection procedure for PLS and KPLS modeling methods. By comparing the results, GA-KPLS descriptors are selected for L-M ANN. Finally a model with a low prediction error and a good correlation coefficient was obtained by L-M ANN. This is the first research on the QSRR of veterinary drugs using the chemometrics models.

Graphical Abstract

Keywords

Main Subjects

Analytical chemistry

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Iranian chemical communication

QSRR models of veterinary drugs in milk in ultra-performance liquid chromatography coupled to time of flight mass spectrometry

References

References

Volume 2, Issue 4, pp. 236-325, Serial No. 5
October 2014
Pages 283-299

QSRR models of veterinary drugs in milk in ultra-performance liquid chromatography coupled to time of flight mass spectrometry

References

References

Volume 2, Issue 4, pp. 236-325, Serial No. 5October 2014Pages 283-299

Volume 2, Issue 4, pp. 236-325, Serial No. 5
October 2014
Pages 283-299