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      Inorganic Elements in Mytilus galloprovincialis Shells: Geographic Traceability by Multivariate Analysis of ICP-MS Data

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          Abstract

          The international seafood trade is based on food safety, quality, sustainability, and traceability. Mussels are bio-accumulative sessile organisms that need regular control to guarantee their safe consumption. However, no well-established and validated methods exist to trace mussel origin, even if several attempts have been made over the years. Recently, an inorganic multi-elemental fingerprint coupled to multivariate statistics has increasingly been applied in food quality control. The mussel shell can be an excellent reservoir of foreign inorganic chemical species, allowing recording long-term environmental changes. The present work investigates the multi-elemental composition of mussel shells, including Al, Cu, Cr, Zn, Mn, Cd, Co, U, Ba, Ni, Pb, Mg, Sr, and Ca, determined by inductively-coupled plasma mass-spectrometry in Mytilus galloprovincialis collected along the Central Adriatic Coast (Marche Region, Italy) at 25 different sampling sites (18 farms and 7 natural banks) located in seven areas. The experimental data, coupled with chemometric approaches (principal components analysis and linear discriminant analysis), were used to create a statistical model able to discriminate samples as a function of their production site. The LDA model is suitable for achieving a correct assignment of >90% of individuals sampled to their respective harvesting locations and for being applied to counteract fraud.

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          Principal component analysis

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            Multivariate comparison of classification performance measures

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              Chemometrics tools used in analytical chemistry: an overview.

              This article presents various important tools of chemometrics utilized as data evaluation tools generated by various hyphenated analytical techniques including their application since its advent to today. The work has been divided into various sections, which include various multivariate regression methods and multivariate resolution methods. Finally the last section deals with the applicability of chemometric tools in analytical chemistry. The main objective of this article is to review the chemometric methods used in analytical chemistry (qualitative/quantitative), to determine the elution sequence, classify various data sets, assess peak purity and estimate the number of chemical components. These reviewed methods further can be used for treating n-way data obtained by hyphenation of LC with multi-channel detectors. We prefer to provide a detailed view of various important methods developed with their algorithm in favor of employing and understanding them by researchers not very familiar with chemometrics. Copyright © 2014 Elsevier B.V. All rights reserved.
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                Author and article information

                Contributors
                Role: Academic Editor
                Journal
                Molecules
                Molecules
                molecules
                Molecules
                MDPI
                1420-3049
                30 April 2021
                May 2021
                : 26
                : 9
                : 2634
                Affiliations
                [1 ]Department of Chemistry, University of Bari “Aldo Moro”, 70125 Bari, Italy; tiziana.forleo@ 123456uniba.it
                [2 ]Department of Chemistry “Giacomo Ciamician”, University of Bologna, 40126 Bologna, Italy; alessandro.zappi4@ 123456unibo.it
                [3 ]Istituto Zooprofilattico Sperimentale dell’Umbria e delle Marche “Togo Rosati”, 60131 Ancona, Italy; m.ciriaci@ 123456izsum.it (M.C.); f.griffoni@ 123456izsum.it (F.G.); s.bacchiocchi@ 123456izsum.it (S.B.); m.siracusa@ 123456izsum.it (M.S.); t.tavoloni@ 123456izsum.it (T.T.); a.piersanti@ 123456izsum.it (A.P.)
                Author notes
                [* ]Correspondence: dora.melucci@ 123456unibo.it ; Tel.: +39-051-2099530
                Author information
                https://orcid.org/0000-0002-9209-6462
                https://orcid.org/0000-0002-0029-4403
                https://orcid.org/0000-0001-5505-6763
                https://orcid.org/0000-0002-6633-1203
                https://orcid.org/0000-0003-4503-6720
                https://orcid.org/0000-0003-1997-3622
                Article
                molecules-26-02634
                10.3390/molecules26092634
                8125296
                33946469
                8876ec5e-c518-42b1-81eb-4dfa9dcfe18f
                © 2021 by the authors.

                Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license ( https://creativecommons.org/licenses/by/4.0/).

                History
                : 31 March 2021
                : 29 April 2021
                Categories
                Article

                mytilus galloprovincialis,trace metals,icp-ms,mussel,traceability,chemometrics,geographic origin

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