Lithuanian Journal of Physics article / Lietuvos fizikos žurnalo straipsnis

[PDF] http://dx.doi.org/10.3952/lithjphys.46405

Open access article / Atviros prieigos straipsnis

Lith. J. Phys. 46, 505–512 (2006)

MULTIELEMENT ANALYTICAL SPECTROMETRY AS A DATA SOURCE FOR CORRELATIVE CLASSIFICATION OF SAMPLES
P. Serapinas and Ž. Ežerinskis
Joint Isotope Analysis Laboratory, Institute of Theoretical Physics and Astronomy of Vilnius University, A. Goštauto 12, LT-01108 Vilnius, Lithuania
E-mail: serapinas@pfi.lt

Received 21 July 2006

Fast increase of correlations between the concentrations of elements is observed when diversity of the sample sources decreases. Data of high resolution sector field ICP MS (inductively coupled plasma mass spectrometry) measurements of concentrations of 25 elements in wines were tested in the present study. As much as about ten or more pairs of correlating elements (correlation coefficient r > 0.9) were found for different wines of similar provenance. Correlation pattern is batch and sample specific. It represents the similar sources of elements, similar element quantity governing processes. If the number of the correlating pairs of elements is large, the mean within this list correlation coefficient can be calculated for individual samples, relative to the values of concentrations characteristic of different batches, and it can be used for identification of samples. Data on good potential for applicability of such individual sample-specific correlative characteristics in testing the provenance of samples are presented as examples.

Keywords: multielement mass spectrometry, correlation, pattern recognition

PACS: 02.50.Sk, 07.05.Kf, 07.05.Rm, 82.80.Ms

DAUGIAELEMENTĖS ANALIZINĖS SPEKTROMETRIJOS TAIKYMAS KORELIACINIAM BANDINIŲ KLASIFIKAVIMUI
P. Serapinas, Ž. Ežerinskis
Jungtinė izotopinės analizės laboratorija, VU Teorinės fizikos ir astronomijos institutas, Vilnius, Lietuva

Pastebimas staigus koreliacijos koeficientų tarp elementų koncentracijų didėjimas, kai gruopuojamų bandinių kilmė yra panašesnė. 25 elementų koncentracijos buvo išmatuotos aukščiausia skiriamąja geba indukcinės plazmos masių spektrometrijos metodu. Apie dešimt ar net daugiau koreliuojančių elementų porų (kurių koreliacijos koeficientas r > 0,9) buvo aptikta skirtinguose vynuose iš panašių šaltinių. Koreliuojančios poros yra grupės ir mėginio ypatumas. Jos rodo panašumą tarp elemento koncentracijų ir jų šaltinių. Jeigu koreliuojančių porų skaičius tarp elementų yra ganėtinai didelis, tai pasinaudoję tuo sąrašu mes galime apskaičiuoti vidutinius koreliacijos koeficientus pavieniams bandiniams bet kurią klasifikuojamą grupę atitinkančiam koreliuojančių elementų porų sąrašui. Toks metodas gali būti naudojamas mėginiams atpažinti.

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