The University of Insubria

		Paola Gramatica

	Contact data	Full Professor Department of Structural and Functional Biology Via H. J. Dunant 3, 21100- Varese (Italy) Tel: +39-0332-421573/552 Fax: +39-0332-421554 E-mail: paola.gramatica@uninsubria.it
	Biography	Paola Gramatica is Full Professor of Environmental Chemistry, ex- Associate Professor of Organic Chemistry, at the University of Insubria (Varese-Italy). She has been the head of QSAR and Environmental Chemistry Research Unit at the Department of Structural and Functional Biology (DBSF) since 1995. She graduated in Pure Chemistry in 1972 at the University of Milan, where she carried out research devoted to the biosynthesis, structural elucidation, synthesis, and biotransformation of organic natural products in the Department of Organic and Industrial Chemistry. She became an Associate Professor of Organic Chemistry in1987 and Full Professor of Environmental Chemistry in 2005. Since 1994 she has been working on QSAR and chemometric methods’ applications to environmentally relevant organic compounds. She was scientifically responsible in 2 EU-Projects. She is author of about one hundred papers in international journals, peer reviewed. She is member of the Directive Council of SETAC-Italian Branch, of the Editorial Board of Chemosphere and of SAR & QSAR in Environmental Research and referee of many scientific journals in environmental field. She is working as QSAR expert for the European Joint Research Centre (Ispra) and for OECD (Organization for Economic Cooperation and Development) in the validation of QSAR models for regulatory acceptance in the new policy of chemicals (REACH).
	Research interests	The principal research interests are in the development of QSAR models by applying chemometric methods of regression and classification and holistic theoretical descriptors of the molecular structure of chemicals. The developed QSAR models are applied for the prediction of physico-chemical properties and biological activities of environmental pollutants (PAHs, PCBs, pesticides, aromatic and aliphatic organic compounds, etc.). Some applications of these studies deal with tropospheric oxidations of Volatile Organic Compounds (VOCs), Persistent Organic Pollutants (POPs) long-range transport and persistence, biodegradability, pesticide partition properties, aquatic toxicity and mixture toxicity (EU Projects PREDICT and BEAM), mutagenicity and Bioconcentration Factor modellng. The main field of research interest is relative to Persistent Bioaccumulative and Toxic (PBTs) chemicals. An important aspect of the research is the proposal of methods for the validation of QSAR models.
	Teaching experience and appointments	The teaching activity is devoted to various courses related to the environmental pollution for Biology (Environmental Pollution and Ecotoxicology) and Engineering degrees, in particular: Environmental Chemistry I and II, Risk Assessment, Environmental Legislation and Certification, Analytical Chemistry and Chemometrics, in addition to the course of Organic Chemistry for Biology, Biotechnology and Analysis and Protection of Natural Resources. Paola Gramatica is Coordinator of Environmental Pollution and Ecotoxicology courses for the Degrees in Biology (undergradute and graduate) and she represents the School of Sciences (Varese) in the International Relations Commission of the University of Insubria.
	Representative publications	1) P.Gramatica, F.Villa and E.Papa Statistically validated QSARs based on theoretical descriptors for the modelling of the aquatic toxicity of organic chemicals in Pimephales promelas (Fathead Minnow). J. Chem. Inf. Model. 45,1256-1266. 2005 2) P.Gramatica and E. Papa An update of the BCF QSAR model based on theoretical molecular descriptors. QSAR &Combinatorial Science 24, 953-960, 2005 3) E.Papa, F.Battaini and P.Gramatica Ranking of Esters’ Aquatic Toxicity modelled by QSAR Chemosphere 2005, Vol 58/5 pp 559-570. 4) P. Gramatica, E. Papa and F. Battaini Ranking and classification of non-ionic organic pesticides for environmental distribution: a QSAR approach Int. J. Environ. Anal. Chem. 84 (1-3): 65-74, 2004 5) E. Papa, S. Castiglioni, P. Gramatica, V. Dukhovny , O. Kayumov and D. Calamari Screening the leaching tendency of pesticides applied in Amu Darya Basin (Uzbekistan) Water Research , 38, 2004, 3485-3494. 6) P.Gramatica, P.Pilutti and E.Papa Validated QSAR Prediction of OH Tropospheric degradability: splitting into training-test set and consensus modeling J.Chem. Inf. Comp.Sci.. 44, 2004, 1794-1802. 7) P. Gramatica, P.Pilutti and E. Papa A Tool for the Assessment of VOC Degradability by Tropospheric Oxidants Starting from Chemical Structure Atm. Env 2004, 38(36), 6167-6175 8) P. Gramatica, F. Battaini and E. Papa QSAR prediction of physico-chemical properties of esters Fresenius Environmental Bulletin13, 2004, 1258-1262. 9)P. Gramatica, E. Papa and S. Pozzi Prediction of POP environmental Persistence and Long Range Transport by QSAR and Chemometric Approaches Fresenius Environmental Bulletin13, 2004, 1204-1209. 10) A. Tropsha, P.Gramatica, and V. K. Gombar* The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models QSAR &Combinatorial Science., 22, 2003, 69-77. 11) P. Gramatica, P. Pilutti and E. Papa QSAR Prediction of Ozone Tropospheric Degradation QSAR &Combinatorial Science, 22, 2003, 364-373. 12) P. Gramatica and E. Papa QSAR Modeling of Bioconcentration Factor by Theoretical Molecular Descriptors QSAR &Combinatorial Science, 22, 2003, 374-385. 13) P. Gramatica, V. Consonni and M. Pavan Prediction of Aromatic Amines Mutagenicity from Theoretical Molecular Descriptors SAR & QSAR Env Res., 14, 2003, 237-250. 14) Paola Gramatica, Pamela Pilutti and Ester Papa Predicting the NO3 Tropospheric Degradability of Organic Pollutants by Theoretical Molecular Descriptors Atm. Environ., 37 (22) , 2003, 3115-3124. 15) L. Eriksson, J. Jaworska, A. Worth, M. Cronin, R.M McDowell and P. Gramatica Methods for reliability, uncertainty assessment, and applicability evaluations of regression based and classification QSARs Envir. Health Perspectives, 111 (10): 1361-1375 AUG 2003 16) Backhaus, T., Altenburger, R., Arrhenius, ., Blanck, H., Faust, M., Finizio, A., Gramatica, P., Grothe, M., Junghans, M., Meyer, W., Pavan, M., Porspring, T., Scholze, M., Todeschini, R., Vighi, M., Walter, H.. and Grimme, L.H. The BEAM-project: prediction and assessment of mixture toxicities in the aquatic environment. Continental Shelf Research 23 (17-19): 2003, 1757-1769, 17) M.Vighi, R. Altenburger, A. Arrhenius, T.Backaus, W.Bodeker, H.Blanck, F.Consolaro M.Faust, A.Finizio, K.Froehner, P.Gramatica, L.H.Grimme, F.Gronvall, V.Hamer, M.Scholze and H.Walter Water quality objectives for mixtures of toxic chemicals: problems and perspectives. Ecotox. and Environ. Safety, 54, 2003, 139-150. 18) P. Gramatica, S.Pozzi, V.Consonni and A. Di Guardo Classification of environmental pollutants for global mobility potential SAR and QSAR in Env. Res., 13 (2), (2002) 205-217. 19) P. Gramatica and A. Di Guardo Screening of pesticides for environmental partitioning tendency Chemosphere , 47, (2002), 947-956. 20) P. Gramatica, A.Santagostino, E. Bolzacchini and B. Rindone Atmospheric monitoring toxicology and QSAR modelling of nitrophenols Fresenius Environ. Bull. 11, (2002) , 757-762. 21) P. Gramatica, P. Pilutti and E. Papa Ranking of Volatile Organic Compounds for Tropospheric Degradability by Oxidants: a QSPR Approach. SAR & QSAR Env Res., 13, 2002, 743-753. 22) P.Gramatica, M.Corradi and V.Consonni Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by different sets of molecular descriptors. Chemosphere, 41 (5) (2000) 763-777. 23) P.Gramatica, M.Vighi, F.Consolaro, R.Todeschini, A.Finizio and M.Faust QSAR approach for the selection of congeneric compounds with a similar toxicological mode of action. Chemosphere, 42 (2001), 873-883. 24) P.Gramatica, F.Consolaro and S.Pozzi QSAR approach to POPs screening for atmospheric persistence. Chemosphere, (2001) 43/4-7, 655-664. 25) M.Vighi, P.Gramatica, F.Consolaro and R.Todeschini QSAR and chemometric approaches for setting water quality objectives for dangerous chemicals. Ecotox and Environ Safety, 49, (2001)206-220. 26) P.Gramatica, V.Consonni and R.Todeschini QSAR Study of the Tropospheric Degradation of Organic Compounds Chemosphere, 38 (1999), 1371-1378. 27) P.Gramatica, N.Navas and R.Todeschini Classification of organic solvents and modelling of their physico-chemical properties by chemometric methods using different sets of molecular descriptors. Trends in Analytical Chemistry, 18 (1999), 461-471. 28) E.Bolzacchini, V.Consonni, P.Gramatica, S.Meinardi, M.Orlandi, B.Rindone and R.Todeschini Toward an in vitro Test for the Diagnosis of Allergy to Penicillins. Synthesis, Characterization and use of B-lactam and B-Lactam Metabolite Poly-L-Lysines which Recognize Human IgE Antibodies. Bioconjugate Chemistry, 10 (3) (1999) 332-337. 29) P.Gramatica, N.Navas and R.Todeschini 3D-modelling and prediction by WHIM descriptors. Part 9. Chromatographic relative retention time and physico-chemical properties of polychlorinated biphenyls (PCBs). Chemom. Intell. Lab. Sys., 40 (1998) 53-63 30) R.Todeschini and P.Gramatica New 3D-molecular descriptors: the WHIM theory and QSAR applications. In 3D-QSAR in Drug Design, Vol.2 (Ed.H.Kubinyi, G.Folkers and Y.C.Martin), KLUWER/ESCOM, (1998), 355-380.

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