Theoretical analysis of the retention behavior of pesticides and active pharmaceutical compounds in wastewater and river waters in liquid chromatography–quadrupole-time-of-flight mass spectrometry
Journal Title: Asian Journal of Nanoscience and Materials - Year 2018, Vol 1, Issue 1
Abstract
The pesticides and active pharmaceutical compounds in water can potentially causedamage, including theincreased cancer risk; liver, and kidney. 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. The data contained retention time (RT) of the 87 pesticides and active pharmaceutical compounds in wastewater and river waters. Genetic algorithm was employed as a factor selection procedure for PLS and KPLS modeling methods. The results showed that, the GA-PLS 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.
Authors and Affiliations
Mehrdad Shahpar, Sharmin Esmaeilpoor
Keywords
Related Articles
- EP ID EP579981
- DOI 10.26655/ajnanomat.2018.1.4
- Views 84
- Downloads 0
Theoretical insights of the electronic structures, conductivity, and aromaticiy of Graphyne and Si-doped Graphynes
In the present research, the dipole moment, electronic structure, frontier orbitals energy, and aromaticity in the graphyne and Si-doped graphynes were studied with M062X quantum chemical computation. The relative energi...
Comparative investigations of synthesis TiO2 Nano-Particles from four different types of alcohols by Sol-Gel method and evaluation of their antibacterial activity
TiO2 nanoparticles were synthesized using a simple reaction of TiCl4 with different types of primary and secondary alcohols. Four different alcohols (ethanol, isopropyl, isobutyl, and isobentyl alcohol) were investigate...
Study of molybdenum effect on synthesis behavior of nanocrystalline NiAl intermetallic during mechanical alloying
The mechanical alloying (MA) procedure was used to synthesize the Ni50Al50 and Ni50Al45Mo5 nanocrystalline intermetallic compound using the pure Ni, Al and Mo elemental powders under an argon atmosphere for different tim...
Nano-Sized and Single Crystal of a 1D Copper(I) Coordination Polymer: Preparation, Characterization, Thermal and Structural Studies
Nano-sized powder of a new 1D copper(I) coordination polymer, [Cu(nba2en)(NCS)]n (1), (nba2en = N,Nʹ-bis(4-ntrobenzylidene)ethane-1,2-diamine, was synthesized using ultrasonic bath assisted and characterized by scanning...
A smart spproach for delivering of nanosized olanzapine using piper betel biopolymer rate controlling flexi films for transvermillion delivery
The aim of the study was to prepare and characterize the nanosize drug loaded bio-flexi films using the novel bioexcipient isolated from the fresh leaves of the piper betle (bioexcipient P) and to explore the potentialit...