MARINA COCCHI

Researcher Analytical Chemistry (b.1961, Roma, Italy). Phone: +39 059 2055029

mail to: marina.cocchi@unimore.it

Curriculum Vitae et Studiorum

• 25 / 07 / 1985: Laurea cum laude, University of Modena, (Thesis: "Study of the substituents electronic effects in congeneric series of 4,4´disubstituted diaryl sulphones: π-π conjugation, σ-π conjugation or π-polarisation ?").

• 1985/1986: “Corso di Perfezionamento in metodologie della Ricerca” (Universita`di Modena).

• 1986/1987: Research Grant "Svenska Institutet": Chemometrics Research Group Prof. S. Wold. (Umeå University, Sweden).

• 1988: High School Teacher, Technical School for Chemistry Modena.

• 1989-1991: Ph. D Student in Chemistry (University of Parma-Modena-Ferrara). Thesis: “Characterization of the molecular structure for quantitative structure-property relationships (QSPR) studies”)

• 1990/1991, at the Chemometrics Research Group Umeå University (Svezia) Prof. S. Wold, research project:“Development of Molecular Interaction Descriptors for 3D-QSAR”.

• 2/09/1992: Ph. D. Degree

• 1992-1994 e 1996-2000: Research Grant, Recordati S.p.A (pharmaceutical company) University of Modena, (Theme: “ Computer chemistry and chemometrics applied to drug design of α₁-adrenergic antagonists”).

• 1994-1996: Post. Doc. fellowship University of Modena (Theme: “Development of computational procedure for QSAR and QSSR”).

• 1/9/2000: Permanent position as Researcher of Analytical Chemistry, Chemistry Department, University of Modena and Reggio Emilia.

• 2000-…

  Teaching

• undergraduate courses: Basic Course on Chemometrics, Advanced Chemometrics, Multivariate Data Analysis.

• graduate courses: Design of Experiments, Multiway Data Analysis

• Supervision of PhD Thesis:

under development

1. Dr. Carlo Baschieri (2008-2011)

   Experimental design and chemometrics tools in food quality/authenticity assessment

2. Dr. Demartini Marco (2008-2010)

   Elaboration of methods for analysis and classification of 2D gel electrophoresis proteomic map

3. Dr. Mario Li Vigni (2007-2009)

   Experimental design and chemometrics tools for process and products control

4. Dr. Nikita Basant (2007-2009)

   Determinants for Selectivity in Map Kinase Inhibitors by Computational Simulations

approved

1. Dr. Marco Pota (2006-2008)

   COMPUTATIONAL STRATEGIES TO MODEL GLASS STRUCTURE AND PROPERTIES

2. Dr. Margherita Grandi (2005-2007)

   QUALITY AND SAFETY ASSURANCE OF CERTIFIED FOOD AND THEIR RAW MATERIALS

3. Dr. Caterina Durante (2003-2005)

   QUALITY AND SAFETY ASSURANCE OF FOODS: A MULTI-WAY APPROACH

Erasmus Exchange

• University of Umea-SW; Royal Vetinary and Agricultural University, Copenaghen-DK.

Istitutional Duty

• Member of Coordination Group of Italian Group of Computational Chemistry (GICS), period 2007-2010

• President of the Italian Chemometrics Group, period 2007-2010

• Member of School Council of School of Graduate Studies in “Multiscale Modelling, Computational Simulations and Characterization in Material and Life Sciences”

Funded Research Projects

• COFIN2002 MIUR: “Sviluppo di modelli basati sulla simulazione strumentale dell’analisi sensoriale per la caratterizzazione di alimenti tipici”

• 2002 CILEA-progetti congiunti Italia-Spagna:“Sviluppo di nuovi sensori elettrochimici ed applicazione di nuovi algoritmi chemiometrici alla trattazione di segnali analitici”

• 2003 Regione Emilia Romagna L.28: “Organization of research call to establish traceability models for typical food products of 'Emilia Romagna’ region, based on "markers of tipicity" and/or on "fingerprinting": the case of Lambrusco di Modena DOC”

• 2004 Regione Emilia Romagna L.28: CABM: “Development of traceability protocol of grape musts of 'Emilia Romagna’ origin, based on "markers of tipicity" and/or "fingerprinting". Evalutation of economical impact of traceability systems on the production chain.”

• 2005-2006 Regione Lombardia: (“CEREALOMB - Valorization of technological and zootecnic quality of cereal production of Lombardia region, through varietal and agricultural practices improvement, and differential storing of cereal grain”.

• PRIN 2005, MIUR Application of innovative chemiometrics tools, experimental design and multivariate analysis of signals and images for the characterization and optimisation of non conventional doughs”

• 2005-2006-2007-2008-2009 Research Contract with East Balt Italia S.r.l: “ Development of methodologies for assessing the beahaviour of wheat flours of different origin and their mixtures in industrial bread making of bun”.

• 2005-2007 Industrial Reserch Project of Modena University (funded by CRM fundation): Development of methodologies for assessing the beahaviour of Italian wheat flours in industrial bread making”

• 2006-2008 Interventi Ricerca Applicata DM 593

• 2007 Ministry of Production Activities-MIUR: Advanced Diagnostic Methodologies for quality e safety assessment of food products from South Italy (MeDiTA)

• 2006-2007 Provincia Modena, Agriculture ed Alimentation Policies LR N. 28 del 28.10.99 and CCIAA Modena Characterization of raw materials for “aceti balsamici” production. Evalutation of the influence of technological aspects of the production process in the quality of final products.

• 2007-2009 Provincia Modena, Agriculture ed Alimentation Policies LR N. 28 del 28.10.99:

• "Development of analytical tools for Authenticity and Traceability of foods”

  Main research lines

Methodology

• Elaboration and Application of Algorithms performing Feature selection in Wavelet Domain (also coupled to genetic algorithm for feature space search), for classification and regression tasks.

• Development and Application of Multivariate (PCA, PLS, SIMCA, Cluster Analysis,..) and Multi-way (PARAFAC, Tucker, N-PLS) data analysis. Extension of SIMCA and feature selection procedures to multi-way data

• Multivariate Statistical Process Control (multivariate and multi-way control charts)

• Elaboration of signals and images by Wavelet transform (1D and 2D) and development of algorithms for the analysis of NMR-FID signals, 2D NMR and 2D gel-electrophoretic maps

• Quantitative Structure Property Relationships (QSPR) and structure-activity (QSAR and 3D-QSAR).

• Codification of Molecular Structure

Applications

• Development of traceability and Autenticity models of typical regional foods (Aceto Balsamico Tradizionale di Modena, oliv oil, Emilia Romagna musts). The “fingerprint” of the product is acquired through spectroscopic and/or chromatographic characterization. Data are elaborated by multivariate and multi-way methodologies.

• Multi-way Analysis of sensory data

• Characterization and classification of Cereal products by infrared spectroscopy (FT-MIR, FT-NIR) and pattern recognition methods. Multivariate calibration of specific properties of cereal products, such as technological and baking performance.

• At line monitoring of plastic material by infrared spectroscopy and multivariate statistical process control methodologies.

• NMR data analysis of tissues and fluids (metabolomics) for the support to medical diagnosis.

• Analysis of 2D-gel electrophoretic maps of tissue (proteomics) by innovative tools (N-way classification; 2D Wavelet Transform).

• Application of Experimental Design methodology to design of bio-glasses and to molecular dynamics simulation experiments for characterization of glass structure.

Author/Co-Author

of about 80 publications on International Journals

Referee activity for:

Chemom. Intell. Lab. Syst., J. Chemometrics, Talanta, Anal. Chim. Acta, J. Agric. Food Chem., Mikrochimica Acta, J. Chem. Inf. Comp. Sci., Spectroscopy Letters, Anal. Chem.

Scientific publications

DOWNLOAD HERE THE FILE WITH THE UPDATE PUBLICATION LIST

A list of a few scientific publications giving an idea of present interests and of past interests that could be good candidates to become present interests again…..

1. V. RIGHI, C. DURANTE, M. COCCHI, C. CALABRESE, G. DI FEBO, G. LIGUORI, A. PISI, F. LECCE, V. TUGNOLI, A. MUCCI, AND L. SCHENETTI

   Discrimination of healthy and neoplastic human colon tissues by ex vivo HR-MAS NMR spectroscopy and chemometric analyses

   J. PROTEOME RESEARCH, 8 (2009), 1859 – 1869.

2. M. LI VIGNI, C. DURANTE, G. FOCA, A. MARCHETTI, A. ULRICI AND M. COCCHI

   Near Infrared Spectroscopy and multivariate analysis methods for monitoring flour performance in an industrial bread-making process

   ANAL. CHIM. ACTA, 642 (2009), 69-76.

3. A. ULRICI, M. LI VIGNI, C. DURANTE, G. FOCA, P. BELLONI, B. BRETTAGNA, T. DE MARCO AND M. COCCHI

   At-Line Monitoring of the Leavening Process in Industrial Bread Making by NIR Spectroscopy.

   JOURNAL OF NEAR INFRARED SPECTROSCOPY, 16 (2008), 223-231.

4. A. ULRICI, COCCHI M., G. FOCA, C. DURANTE, A. MARCHETTI, L. TASSI

   Multivariate analysis of analytical signals to decipher relevant chemical information.

   In: L. TASSI; M.P. COLOMBINI. NEW TRENDS IN ANALYTICAL, ENVIRONMENTAL AND CULTURAL HERITAGE CHEMISTRY. , TRIVANDRUM: Research SignPost 2008.

5. COCCHI M., C. DURANTE, M. GRANDI, D. MANZINI, A. MARCHETTI

   Three-way principal component analysis of the volatile fraction by HS-SPME/GC of aceto balsamico tradizionale of modena.

   TALANTA, 74(2008), 547-554

6. COCCHI M., R. CONSONNI, C. DURANTE, M. GRANDI, S. MANZINI, A. MARCHETTI, S. SIGHINOLFI

   Changes in the Chemical Composition of Reduced Cooked Musts During the Heating Process.

   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 56 (2008), 6397-6407

7. J.M. PALACIOS-SANTANDER, L.M. CUBILLANA-AGUILERA, COCCHI M., A. ULRICI, I. NARANJO-RODRÍGUEZ, R. SEEBER AND J.L. HIDALGO-HIDALGO DE CISNEROS

   Multicomponent analysis in the wavelet domain of highly overlapped electrochemical signals: Resolution of quaternary mixtures of chlorophenols using a peg-modified Sonogel-Carbon electrode.

   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 91(2008), 110-120.

8. COCCHI M., C. DURANTE, A. MARCHETTI, C. ARMANINO, M. CASALE

   Characterization and discrimination of different aged 'Aceto Balsamico Tradizionale di Modena' products by Head Space mass spectrometry and Chemometrics.

   ANALYTICA CHIMICA ACTA, 589 (2007), 96-104.

9. COCCHI M., G. FERRARI, D. MANZINI, A. MARCHETTI, S. SIGHINOLFI

   Study of the monosaccharides and furfurals evolution during the preparation of cooked grape musts for Aceto Balsamico Tradizionale production.

   JOURNAL OF FOOD ENGINEERING, 79(2007), 1438-1444.

10. E. LUGLI, M. PINTI, M. NASI, L. TROIANO, R. FERRARESI, C. MUSSI, G. SALVIOLI, V. PATSEKIN, J. PAUL ROBINSON, C. DURANTE, COCCHI M., A. COSSARIZZA

    Subject classification obtained by cluster analysis and principal component analysis applied to flow cytometric data.

    CYTOMETRY. PART A, 71A (2007), 334-344.

11. COCCHI M., CATERINA DURANTE, GIORGIA FOCA, ANDREA MARCHETTI, LORENZO TASSI, ALESSANDRO ULRICI

    Durum wheat Adulteration detection by NIR spectroscopy multivariate calibration.

    TALANTA, 68/5 (2006), 1505-1511.

12. COCCHI M., DURANTE C, GRANDI M, LAMBERTINI P, MANZINI D, MARCHETTI A

    Simulatenous Determination of sugars and organic acids in aged vinegar and chemometric data analysis.

    TALANTA, 69/5; (2006), 1166-1175.

13. COCCHI M., R. BRO, C. DURANTE, D. MANZINI, A. MARCHETTI, F SACCANI, S. SIGHINOLFI, A. ULRICI

    Analysis of Sensory data of Aceto Balsamico Tradizionale di Modena (ABTM) of different ageing by application of PARAFAC models.

    FOOD QUALITY AND PREFERENCE, 17/6 (2006), 419-526.

14. DURANTE C, COCCHI M., GRANDI M, MARCHETTI A. AND R. BRO

    Application of N-PLS to gas chromatographic and sensory data of Traditional balsamic vinegar of Modena.

    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 83/1 (2006), 54-65.

15. COCCHI M., M. CORBELLINI, G. FOCA, M.LUCISANO, M. A. PAGANI, L. TASSI

    Classification of bread wheats in different quality categories by a wavelet-based feature selection/classification algorithm on NIR spectra.

    ANALYTICA CHIMICA ACTA, 544 (2005), 100-107.

16. COCCHI M., M. CORBELLINI, G. FOCA, M.LUCISANO, M. A. PAGANI, L. TASSI, A. ULRICI Classification of bread wheats in different quality categories by a wavelet-based feature selection/classification algorithm on NIR spectra.

    ANALYTICA CHIMICA ACTA, 544 (2005), 100-107.

17. COCCHI M., M. MANFREDINI, L.M. BODECCHI, G. FERRARI, M. MALAGOLI, F. GALAVOTTI, A. MARCHETTI

    Application of IR Spectroscopy and Multivariate Quality Control Methods in PVC Manufacturing.

    ANALYTICA CHIMICA ACTA, 554 (2005), 207-217.

18. COCCHI M., FOCA G., MARCHETTI A., TASSI L., ULRICI A.

    A Study of the Bread Staling By Multivariate Analysis of MIR Spectra

    ANNALI DI CHIMICA, 2005, 95, 657-666

19. A. ANTONELLI, COCCHI M., P. FAVA, G. FOCA, G.C. FRANCHINI, D. MANZINI AND A. ULRICI

    Automated evaluation of food colour by means of multivariate image analysis coupled to a wavelet-based classification algorithm.

    ANALYTICA CHIMICA ACTA, 515; (2004), 3-13.

20. COCCHI M., C. DURANTE, G. FOCA, D. MANZINI, A. MARCHETTI, A. ULRICI

    Application of a wavelet based algorithm on HS-SPME/GC signals for the classification of balsamic vinegars.

    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 71; (2004), 129-140.

21. COCCHI M., G. FOCA, M. LUCISANO, A. MARCHETTI, M. A. PAGANI, L. TASSI, A. ULRICI

    Classification of Cereal Flours by Chemometric Analysis of MIR Spectra.

    JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 52 (2004), 1062-1067.

22. COCCHI M., G.C. FRANCHINI, D. MANZINI, A. MARCHETTI, M. MANFREDINI, A. ULRICI

    A Chemometric Approach to the Comparison of Different Samples Treatments for Metal Determination by Atomic Absorption Spectroscopy in "Aceto Balsamico Tradizionale di Modena".

    JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 52 (2004), 4047-4056.

23. COCCHI M., J.L. HIDALGO-HIDALGO-DE-CISNEROS, I. NARANJO-RODRGUEZB, J.M. PALACIOS-SANTANDER, R. SEEBER, A. ULRICI

    Multicomponent Analysis of Electrochemical Signals in the Wavelet Domain.

    TALANTA, 59 (2003), 733-745.

24. COCCHI M., R. SEEBER, A. ULRICI.

    Multivariate Calibration of Analytical Signals by Wilma (Wavelet Interface To Linear Modeling Analysis).

    JOURNAL OF CHEMOMETRICS, 17 (2003), 512-527.

25. COCCHI M., R. SEEBER, A. ULRICI

    WPTER: Wavelet Packet Transform for Efficient pattern Recognition of signals.

    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 57 (2001), 97-119.

26. P.G. DE BENEDETTI, F. FANELLI, M.C. MENZIANI AND M. COCCHI

    The ad hoc supermolecule approach to receptor ligand design.

    J. MOL. STRUCT. (THEOCHEM), 503, (2000), 1-8.

27. M. COCCHI, P.G. DE BENEDETTI, R. SEEBER, L. TASSI, A. ULRICI

    Development of Quantitative Structure-Property Relationships (QSPR) using calculated descriptors for the prediction of the physico-chemical properties (nD, ρ, bp, ε and η) of a series of organic solvents.

    J. CHEM. INF. AND COMPUT. SCI., 39 (1999), 1190-1203.

28. M. COCCHI AND P.G. DE BENEDETTI

    Use of the supermolecule approach to derive molecular similarity descriptors for QSAR analysis.

    J. MOL. MODEL., 4, (1998), 113-131.

29. M. COCCHI, F. FANELLI, M. MENZIANI AND P. G. DE BENEDETTI

    Conformational analysis and Theoretical Quantitative Size and Shape-Affinity Relationships of N4-protonated N1-arylpiperazine 5-HT1A Serotoninergic Ligands.

    J. MOL. STRUCT. (THEOCHEM), 397 (1997), 129-145.

30. M. COCCHI, M.C. MENZIANI, F. FANELLI, P.G. DE BENEDETTI

    Theoretical quantitative structure-activity relationship analysis of congeneric and non congeneric α-adrenoceptor antagonists. A chemometric study.

    J. MOL. STRUCT. (THEOCHEM) , 331, (1995), 79-93.

31. S. WOLD, E. JOHANSSON AND M. COCCHI

    PLS : Partial Least Squares Projections to Latent Structures in Hugo Kubinyi (Editor), 3D QSAR in Drug Design: Theory, Methods and Applications.

    ESCOM Science Publishers, Leiden 1993, pp. 523-550.

32. M. COCCHI, M.C. MENZIANI, P.G. DE BENEDETTI

    A Quantitaive Structure-Activity Relationships Study of Substituted Benzenes on Aquatic Organisms Using Theoretical Molecular Descriptors.

    Ecological Physical chemistry, D. Pitea, Ed., Elsevier Science Pub., 1993, 39-56.

33. P.G. DE BENEDETTI, M. COCCHI, M.C. MENZIANI, F. FANELLI

    Theoretical Quantitative Structure-Activity Analysis and pharmacophore Modeling of Selective Non Congeneric α1-Adrenergic Antagonists.

    J. MOL. STRUCT. (THEOCHEM), 280 (1993), 283-290.

34. M. COCCHI, G. CRUCIANI, M.C. MENZIONI, P.G. DE BENEDETTI

    Use of Advanced chemometric tools and comparison of different 3D Descriptors in QSAR Analysis of prazosin analog α1-Adrenergic Antagonists.

    Trends in QSAR and Molecular Modelling 92., C.G. Wermuth Ed., Escom, Leiden, 527-529 (1993).

35. P.G. DE BENEDETTI, M.C. MENZIANI, F. FANELLI AND M. COCCHI

    The Heuristic-Direct Approach to Quantitative Structure-Activity Relationship Analysis.

    J. MOL. STRUCT. (THEOCHEM), 285 (1993), 147-153.

36. M.COCCHI AND E. JOHANSSON

    Amino acids Characterization by GRID and Multivariate Data Analysis.

    QUANT. STRUCT. - ACT. RELAT., 12, (1993), 1-8.

37. M. COCCHI, M.C. MENZIANI, P.G. DE BENEDETTI AND G. CRUCIANI

    Theoretical versus Empirical molecular descriptors in monosubstituted benzenes. A Chemometric Study.

    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEM, 14, (1992), 209-224.

38. A. RASTELLI AND M. COCCHI

    Model Calculations of Chemical Interactions 3. Rotational Energy Profiles in Simple Molecules: Evaluation, Additivity and Role of Bond-Bond, Bond-Lone pair and Lone pair- Lone pair Interactions.

    J. CHEM. SOC. FARADAY TRANS., 87, 249-258, (1991).

39. G. RASTELLI, F. FANELLI, M.C. MENZIANI, M. COCCHI AND P.G. DE BENEDETTI

    Conformational Analysis, Molecular Modeling and Quantitative Structure-Activity Relationships Studies in 2,4-Diamino-6,7-Dimethoxy-2-Substituted Quinazolines alfa1-Adrenergic Antagonists.

    J. MOL. STRUCT. (THEOCHEM), 251, (1991), 307-318.

40. M. COCCHI , M.C. MENZIANI, G. RASTELLI AND P.G. DE BENEDETTI

    QSAR Analysis in 2,4-Diamino-6,7-dimethoxy Quinoline Derivatives 1-Adrenoceptor Antagonists Using the Partial Least Squares (PLS) Method and Theoretical Molecular Descriptors.

    QUANT. STRUCT.-ACT. RELAT., 9, (1990), 340-345.

41. D. JONHELS, U. EDLUND, E. JOHANSSON AND M. COCCHI

    Studies of 13C NMR Substituent Chemical Shifts of Disubstituted Benzenes Using Multivariate data Analysis.

    J. C. S. PERKIN TRANS II, (1989), 1773-1777.