An improved structure models to explain retention behavior of atmospheric nanoparticles

Authors

  • Hadi noorizadeh Department of Chemistry, Payame Noor University of ilam, Ilam, Iran
  • Zahra Shirzadi Department of chemistry, Islamic Azad University, Shahreza Branch, Isfahan, Iran
Abstract:

The quantitative structure-retention relationship (QSRR) of nanoparticles in roadside atmosphere against the comprehensive two-dimensional gas chromatography which was coupled to high-resolution time-of-flight mass spectrometry was studied. The genetic algorithm (GA) was employed to select the variables that resulted in the best-fitted models. After the variables were selected, the linear multivariate regressions [e.g. the partial least squares (PLS)] as well as the nonlinear regressions [e.g. the kernel PLS (KPLS) and Levenberg- Marquardt artificial neural network (L-M ANN)] were utilized to construct the linear and nonlinear QSRR models. The correlation coefficient cross validation (Q2) and relative error for test set L-M ANN model are 0.939 and 4.89, respectively. The resulting data indicated that L-M ANN could be used as a powerful modeling tool for the QSPR studies.

Upgrade to premium to download articles

Sign up to access the full text

Already have an account?login

similar resources

an improved structure models to explain retention behavior of atmospheric nanoparticles

the quantitative structure-retention relationship (qsrr) of nanoparticles in roadside atmosphere against the comprehensive two-dimensional gas chromatography which was coupled to high-resolution time-of-flight mass spectrometry was studied. the genetic algorithm (ga) was employed to select the variables that resulted in the best-fitted models. after the variables were selected, the linear multi...

full text

”Is a novel picture required to explain the atmospheric behavior of water in red giant stars?"

.................................................................................................................................................. 2 Introduction ............................................................................................................................................. 4 Theory .......................................................................................

full text

Toxicity of Nanoparticles and an Overview of Current Experimental Models

Nanotechnology is a rapidly growing field having potential applications in many areas. Nanoparticles (NPs) have been studied for cell toxicity, immunotoxicity, and genotoxicity. Tetrazolium-based assays such as MTT, MTS, and WST-1 are used to determine cell viability. Cell inflammatory response induced by NPs is checked by measuring inflammatory biomarkers, such as IL-8, IL-6, and tumor necrosi...

full text

Erratum: Boolean Models of Biological Processes Explain Cascade-Like Behavior

Biological networks play a key role in determining biological function and therefore, an understanding of their structure and dynamics is of central interest in systems biology. In Boolean models of such networks, the status of each molecule is either "on" or "off" and along with the molecules interact with each other, their individual status changes from "on" to "off" or vice-versa and the sys...

full text

Towards structure preserving atmospheric finite-mode models

A typical problem with the traditional Galerkin approach for the construction of finitemode models is to keep structural properties untouched in the process of discretization. We present two examples of finite-mode approximations that in some respect preserve the geometric attributes inherited from their continuous models: a three-component model of the barotropic vorticity equation known as Lo...

full text

My Resources

Save resource for easier access later

Save to my library Already added to my library

{@ msg_add @}


Journal title

volume 2  issue Issue 1, pp. 1-81

pages  56- 71

publication date 2014-02-01

By following a journal you will be notified via email when a new issue of this journal is published.

Hosted on Doprax cloud platform doprax.com

copyright © 2015-2023