Experimental design as an optimization tool for inductively coupled mass spectrometry methods

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Title: Experimental design as an optimization tool for inductively coupled mass spectrometry methods
Alternative title: Koesuunnittelun hyödyntäminen ICP-MS -menetelmien optimoinnissa
Author: Kilpeläinen, Wille Julius
Other contributor: Helsingin yliopisto, Matemaattis-luonnontieteellinen tiedekunta
University of Helsinki, Faculty of Science
Helsingfors universitet, Matematisk-naturvetenskapliga fakulteten
Publisher: Helsingin yliopisto
Date: 2020
Language: eng
URI: http://urn.fi/URN:NBN:fi:hulib-202009013960
Thesis level: master's thesis
Degree program: Kemian ja molekyylitieteiden maisteriohjelma
Master's Programme in Chemistry and Molecular Sciences
Magisterprogrammet i kemi och molekylära vetenskaper
Specialisation: ei opintosuuntaa
no specialization
ingen studieinriktning
Discipline: none
Abstract: Inductively coupled mass spectrometry (ICP-MS) is a state-of-the-art technique for elemental analysis. The technique allows fast and simultaneous analysis of multiple elements with a wide dynamic range and low detection limits. However, multiple adjustable parameters and the complex nature ICP-MS instruments can make the development of new analysis methods a tedious process. Design of experiments (DOE) or experimental design is a statistical approach for conducting multi- variate experiments in a way that gives maximal amount of information from each experiment. By using DOE the number of experiments needed for analytical method optimization can be minimized and information about interrelations of di↵erent experimental variables can be obtained. The aim of this thesis is to address the utilization of DOE for ICP-MS method developement as a more e cient mean to optimize analytical methods. The first part of this two part thesis gives an overview on the basics of ICP-MS and DOE. Then a literature review on applying experimental design for ICP-MS method optimization is given and the current state of the research is discussed. In the second part, two new ICP-MS methods for simultaneous determination of 28 elements from six middle distillate fuels, diluted with xylene or kerosine, are presented. The method developement involved optimization of the integration times and optimization of test sample dilution ratios and viscosities using univariate techniques. In addition, experimental designs were succesfully utilized together with desirability approach in multivariate optimizations of the plasma conditions and sample matrix compositions to achieve the best possible analyte recoveries from various matrices.
Subject: ICP-MS
experimental design
inductively coupled mass spectrometry
multivariate optimization

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