Dipartimento di Chimica e Tecnologie del Farmaco, Università di Roma La Sapienza
Stay: March 2017 – June 2017
Manuela is a phd student at “Sapienza”, University of Rome. Her research area si pharmaceutical chemistry, in particular, through qsar, 3-D QSAR and docking approaches, she studies the detection, development and optimization of new potential therapeutic molecules, in the epigenetic filed. During her period at the “Universita degli Studi di Milano-Bicocca”, she focused on the study of the chemometrics tecniques application to understand the possible relation between the biological activity of some essential oils previously exctract by her resarch group in Rome, and their chemical composition. In particular she studied and applicated the plsda, pls and pca, trying to get the chemometric and mathematical concept.
Juan Agustín Herrera Rubia
Departament Mineralogy and Petrology/ Analytical Chemistry. University of Granada. Spain
Stay: September 2015 – November 2015
Agustín is a PhD student in mineralogy and petrology and his research area is the cultural heritage. The primary objective of this research is the analysis of interactions at the “artwork-exposition environment” for real samples of paintings from open and semi-open monuments, and dosimeters of paintings subjected to natural and accelerated ageing. This requires the use of some techniques, such as DRX, FTIR, RAMAM, HPLC-MS, MALDI-TOF-MS, VP-SEM-EDX… He came to the Milano Chemometrics and QSAR Research Group of the University of Milano-Bicocca to apply chemometrics techniques to the interpretation of the analytical signal data.
Cristian Rojas Villa
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA). Universidad Nacional de La Plata. La Plata, Argentina
Stay: July 2015 – December 2015
PhD student in Chemistry at The Research Institute of Theoretical and Applied Physical Chemistry (National University of La Plata) with a Fellowship from the National Secretary of Higher Education, Science, Technology and Innovation (SENESCYT) from the Republic of Ecuador. His thesis delas with the applications of QSAR/QSPR in both Food Chemistry and Analytical Chemistry. He has come back to Milano Chemometrics and QSAR Research Group thanks to the financial support provided by the Ministry of Foreign Affairs and International Cooperation of the Italian Government. His stage is part of his PhD program for the applications of both new molecular descriptors and fingerprints to build predictive QSAR/QSPR models, as well as new Chemometrics methodologies.
Raquel Fernandez Varela
Analytical Chemistry Section, Department of Plant and Environmental Sciences, Faculty of Science, University of Copenhagen
Stay: March 2014 – April 2014
Raquel Fernández-Varela has a M.Sc. and a Ph.D. degree in Analytical Chemistry, both from University of A Corunna (Spain). She has a Marie Curie Intra European Fellowship to study the metabolic profile of marine organisms. During her stay at the Universita degli Studi di Milano-Bicocca, her research interests are focused on the study of application of variable selection (especially genetic algorithms) and multivariate classification methods (such as PLS, LDA, PLS-DA, PCA-LDA, knn) in gas chromatography coupled with mass spectrometry detection data to examine how pollution and other environmental stressors control metabolite response in selected organisms at molecular level.
Stay: March 2014
M.Sci. in Analytical Chemistry and PhD in Physical Chemistry, Sofia University, Bulagian . Research area: heterogeneous catalysis. Experience in material characterization with thermo-analytic (DSC, TGA), spectroscopic (UV-vis, IR) and GC techniques.
My inter-ship at the Milano Chemometrics Research Group is a part of a qualification course “Bioinformatics” I am doing at the Qualification Center Haberhauffe, Berlin and the aim was I to get practical experiences in the application of statistical methods and tools for classification by means of multivariate analysis.
Marìa Paz Gòmez-Carracedo
Department of Analytical Chemistry, University of A Coruna, Spain
Stay: September 2012 – February 2013
Her main interests deal with application of different chemometric methods (unsupervised pattern recognition (Matrix-Augmented Principal Component Analysis (MA-PCA) and Potential Curves), supervised pattern recognition (Principal Components Analysis combined to Discriminant Analysis (PCA-LDA), Soft Independent Modelling of Class Analogy (SIMCA), K-Nearest Neighbours (KNN), Partial Least Squares (PLS), Partial Least Squares Discriminant Analysis (PLS-DA), Classification and Regression Trees (CART) and Support Vector Machines (SVM)), neural networks (backpropagation neural networks, counterpropagation neural networks (CPANN), Molecular Map of Atom-level Properties (MOLMAP) and Self-Organizing Maps (SOM)), variable selection (genetic algorithms, Selectivity Ratio Index (SRI) and Procrustes rotation) and imputation of missing data to environmental and industrial problems (e.g., oil spills, trace metals in surface sediments, urban soils, apple juice, hydrocarbon distillation, etc.)). She has experience also with infrared and thermogravimetric analytic techniques (TGA, MIR, NIR, ATR, Raman). During her stay at the Università degli Studi di Milano-Bicocca her research duties will focus on multivariate analysis of air quality data and identification of fire foam.
Stay: October 2012 – December 2012
Swapnil is a PhD studen at Linnaeus University-Sweden. He work in EU ECO project on topic of “Chemical grouping and read across to assess toxicity”. He aims for chemical categorization using multivariate methods and clustering tools. During his stay at the Universita degli Studi di Milano-Bicocca he will be aiming to define applicability domain for chemicals and descriptors.
Stay: September 2011 – July 2012
Eva has M.Sc. in Environmental Science and a specialisation in New technologies and Environment. Her main interests are theoretical Ecotoxicology, Risk Assessment and Multicriteria Decision Making. Eva had a grant from the EU ECO project to evaluate ecotoxicologial properties by means of QSAR methodologies.She learnt QSAR and chemometric tools useful for the read across methodologies. Her research focused on pharmaceuticals and industrial potential toxicants. She is planning to continue as PhD student her research in Risk Assessment.
Stay: October 2011 – July 2012
Tine had a grant from the EU ECO project for the evaluation of biodegradability by means of QSAR methodologies.
Stay: June 2011 – October 2011
Monika had a grant from the EU ECO project to evaluate methods for selection of structural features that influence substance toxicities.
Nikoline Juul Nielsen
Environmental Chemistry and Physics, Department of Basic Sciences and Environment, Faculty of Life Sciences, University of Copenhagen (LIFE-UC)
Stay: January – March 2011
Nikoline has a M.Sc. in Environmental Chemistry and a Ph.D. degree in Analytical and Data Processing Aspects in Natural Product Research, both from LIFE-UC. Her main interest is the cross field between analytical chemistry (e.g. chromatography, mass spectrometry, fluorescence, diode array) and applied chemometrics on small molecule environmental applications, or with a more popular expression ‘within the field of metabolomics’. During her stay in Milan, she will be partly working on i) classification of oil samples (different types of oils, weathered oils, oil spills, mixed and diluted oils) primarily with the Milan Chemometrics Group and ii) identification of plant biomarkers for environmental contamination primarily with Dr. Giorgio Tomasi at Joint Research Centre, Ispra.
Silvia Gonzalez Pérez
Instituto de Quimica Aplicada, Universidad Técnica Particular de Loja, Ecuador
Stay: September 2010
Ph. D. in Chemistry for Universidad Autonoma Metropolitana (México) and Universitat de Barcelona (Spain). Her main interest is theoretical modelling of heterogeneous catalysts: metals, bimetals, oxides, etc. for explain their catalytic behaviour and contribute for design of new materials with improved properties.
During her stay at the Universita degli Studi di Milano-Bicocca, she will learn to QSAR analysis for in future, study molecules isolated in her lab from natural products with ethnomedicinal properties, and for find the origin of their activity and contribute for the synthesis of new molecules with new and improved properties.
Carlos Mario Zuluaga Dominguez
Food Science and Technology Institute, National University of Colombia, Bogota – Colombia
Stay: April – June 2010
M.Sc. on Food Science and Technology, National University of Colombia. His main interest deals with application of different multivariate statistical techniques in pattern recognition and differentiation to be applicated in foodstuff. During his stay at the Milano Chemometrics Group his research activities will focus on studying the application of regression techniques, multivariate classification and variable selection for the distinction in different types of spectral and instrumental data information (such as: NIR-MIR, e-nose and e-tongue) . He is planning to study a Ph.D. degree in Chemical Engineering, where will apply chemometrical techniques to modelate and characterize fermentative processes by using an electronic nose and traditional physicochemical analysis.
Department of Chemistry, Institute for Advanced Studies in Basic Sciences, Zanjan – Iran
Stay: September 2009 – October 2009
Ph.D. student on Analytical Chemistry, Institute for Advanced Studied in Basic Sciences (Development of SOM toolbox and applcation of ANNs for diagnostic purposes). His main interests deal with application of different Artificial Intelligence methods (like SOMs) in pattern recognition (e.g., Disease diagnosis, etc.). During his stay at the Milano Chemometrics Group his research duties will focus on adding some abilities to the SOM toolbox, and also improving the performance of classification using wavelet transformation.
Rosa María Alonso Salces
JRC Ispra – Italy
Stay: November 2009
Researcher at JRC Ispra. During her stay Rosa had a specific training on classification approaches, such as CAIMAN and methods based on Self Organizing Maps.
Marìa Paz Gòmez-Carracedo
Department of Analytical Chemistry, University of A Coruna, Spain
Stay: December 2008 – December 2009
Ph.D. on Analytical Chemistry, University of A Coruna (Applications to industrial quality control of infrared spectroscopy combined with multivariate analysis). Her main interests deal with application of different chemometric methods (PLS, PCA, Potential Curves, backpropagation neural networks and variable selection methods -genetic algorithms and Procrustes rotation- to environmental and industrial problems (e.g., oil spills, urban soils, apple juice, hydrocarbon distillation, etc.)). During her stay at the Universita degli Studi di Milano-Bicocca her research duties will focus on multivariate analysis of spectral and environmental data, including three-way analysis of data cubes, variable selection and sample classification using Neural Networks.
Cristina Nebreda Gomez
Faculty of Sciences, University of Burgos, Spain
Stay: December 2007 – May 2008
Durante mi estancia en la Universitá degli studi di Milano Bicocca he cursado la primera parte de un Master en Química Avanzada. Realizando la parte teórica en el master MAGESTA y la parte práctica en el grupo de Chemiometria de Milano. En lo stage he realizado un estudio para analizar la composición nutricional de plantas de vid en los años 2000 y 2001, habiendo tomado las muestras en dos órganos distintos de la planta, el limbo y el peciolo, mediante distintas metodologías multivariantes. Para ello he propuesto hipótesis de trabajo para el análisis de datos multivariantes mediante el uso de técnicas de agrupamiento, he analizado la correlación entre parámetros y he propuesto distintos modelos de clasificación según el año y según el órgano, verificando la predicción de cada uno de ellos.
Cristian Rojas Villa
Department of Food Engineering, University of Azuay, Cuenca, Ecuador
Stay: November 2006 – May 2007
Cristian received his degree in Food Engineering from the University of Azuay, with a thesis on the application of the experimental design and utility function for the study and optimization of taste of fresh cheese. His stay in the Milano Chemometrics and QSAR research group was aimed to study the application of multivariate techniques applied to Food Science, for example: studying the application of principal component and cluster analysis for the extract information on the physical properties of oils of Ecuador. Also the application of principal component analysis to study the shelf-life of cheese cream as well as the multivariate classification and variable selection for the distinction of alcoholic beverages. Finally during his stay he has studied the introduction to molecular descriptors and genetic algorithms. Moreover the use of specific software for the multivariate data analysis: Scan, Matlab, Dart, Dragon and MobyDigs. He has been involved in a specialization for multivariate data analysis applied to complex systems of the University of Azuay. His thesis regarding this specialization was developed based on the QSAR review of the isovanillyl sweeteners derivatives with a variable selection and multivariate classification. His main interests now are the application of chemometrics techniques in Food Science. He is planning to study a Master’s degree in biotechnology of dairy products.
Prof. Mircea V. Diudea
Milano Chemometrics & QSAR Research Group is pleased to invite Prof. Mircea V. Diudea (University Babes-Bolya, Cluj-Napoca, Romania) to visit our University in the period March 10-25, 2007. We look at this opportunity to discuss and formulate several scientific and educational proposals in domains of joint interest.