Advanced Targeted and Untargeted Approaches for Food Authenticity and Environmental Monitoring
This thematic area focuses on developing innovative methodologies to investigate complex systems in food quality, authentication, and environmental monitoring. By integrating targeted and untargeted analytical strategies, it combines spectroscopic, spectrometric, and electrochemical techniques with advanced chemometric approaches to enhance detection and characterization capabilities on real matrices.
Research topics:
Method development, optimization and validation to detect and quantify emerging organic contaminants, including perfluorinated compounds (PFAS), pesticides, pharmaceuticals and micro-plastics (MPs) in abiotic and biotic matrices (studying transport, distribution and accumulation mechanisms) by liquid chromatography-mass spectrometry (LC-MS).
Studying transport, distribution and accumulation mechanisms of organic compounds in organisms and risk assessment of persistent organic pollutant (POPs) and emerging contaminants.
Development, optimization and validation of untargeted and fingerprinting methodologies for the authentication of foodstuffs and their supply chain.
Chemometrics approaches for optimized untargeted profiling analysis of High Resolution Liquid chromatography-mass spectrometry (LC-MS) and hyphenated Gas Chromatography (GC-MS, GC-IMS) data.
Chemometrics and Machine learning strategies to develop multivariate/multiway calibration and classification based on spectroscopic techniques including UV-Vis, Infrared, Raman and EEM fluorescence. Focus on portable instrumentations.
Establishing validation procedures and documentation, including protocols, reports, and standard operating procedures
Methods for the analysis of isotopic ratios of stable and radiogenic elements by compound-specific IRMS mass spectrometry and high-resolution plasma spectrometry.
Analytical characterization of real matrices and production processes by separative techniques hyphenated with different mass analyzers, elemental and molecular spectroscopies and targeted/untargeted NMR-Profiling techniques.
Development of (portable) amperometric sensors for the determination of analytes of interest in real matrices.
Setup of electronic tongues for blind analysis of complex samples.
Researchers: Monica Caselli, Marina Cocchi, Caterina Durante, Andrea Marchetti, Guido Perra, Laura Pigani, Costanza Scopetani, Lorenzo Strani
Chemometrics, Machine Learning, Big Data analytics
The main research areas are related to development and application of multivariate data analysis tools, including novel algorithms and codes, in the context of data driven discovery. The use of chemometrics and machine learning tool to extract relevant information from instrumental data ranging from hyphenated analytical techniques to imaging, find broad applications in several fields, such as material design and characterization, multivariate statistical process monitoring and control (MSPC), food authentication, environmental and biomedical research, etc..
Research topics:
Big Data Analytics for Industry 4.0 (LV based MSPC, scalability of multivariate latent variables model to Big Data, PAT, predictive analytics)
Development of Multivariate and Multiway Calibration, Classification and pattern recognition tools
Experimental Design (DoE) methodology for formulation, sampling, sample preparation and instrumental settings
Development of Image analysis and signals processing algorithms (chemometrics and machine learning)
Integration of DeepL and chemometrics
Improving state-of the art hyperspectral imaging to resolve complex chemical samples.
Implementation of Multiblock and Data Fusion methodologies to integrate information acquired from different sensors and analytical techniques
Researchers: Marina Cocchi, Caterina Durante, Lorenzo Strani
Computational approaches to Materials and Environmental Sciences
Our research activity mainly focuses on the computational and theoretical study of molecular and solid-state systems with applications in materials and environmental sciences.
Research topics
Multicomponent Oxide Glasses
Solid State Electrolytes for All Solid-State Batteries
Modeling and simulation of catalytic reactions
Zeolites, oxides, single atom catalysts simulations
Supramolecular catalysis simulation
Computational molecular spectroscopy and modeling
Enzymes for the hydrolysis of plastics
Charge, Spin, and Excited-State Dynamics in Molecular and Chiral Systems
Electronic, Optical, and Frictional Properties in Crystalline and Quasicrystalline Materials
Researchers: Francesco Faglioni; Maria Cristina Menziani; Francesco Muniz-Miranda; Alfonso Pedone; Giovannimaria Piccini; Davide Vanossi
Innovative molecules and materials for sustainability
Technological development cannot ignore the exploitation of renewable sources, and the issues of recyclability and low environmental impact in the development of new materials.
Research topics:
Materials for safe and sustainable batteries
CISS effect in molecules and materials
Dynamic molecular crystals as a platform for the development of smart materials
Design, Synthesis, and Characterization of Dynamic Polymer Networks (DPNs)
Green catalysis for polymer chemistry
Sustainable Organic Synthesis and Organic Process Research
Molecular Inorganic Chemistry (ChInoMo): from fundamental to applied research for catalytic, magnetic and optical purposes
Multiscale approach for chemical sustainable strategies: from targeted molecules to big-building constructions
Techniques and methodologies for recycling waste materials, both inorganic and biomasses
Exploitation of waste agrifood matrices to obtain fine chemicals and energy
Researchers: Marco Borsari, Andrea Cornia, Adele Mucci, Daniele Malferrari, Andrea Marchetti, Andrea Paolella, Francesca Parenti, Lorenzo Tassi, Francesco Tassinari, Fabrizio Roncaglia, Luca Rigamonti.
Bioinspired and biocompatible chemistry
Nature and biological systems account for inspiration and models for the development of new smart functional compounds and materials for medicinal applications (biomaterials, biocatalysts, medicinal applications). Moreover, the study of biomolecules is the clue to understand the molecular basis of biological processes (biomolecules, and metabolomics).
Research topics
Advanced synthetic methodologies for rationally designed small-molecule targeted anti-cancer drugs
Applications of coordination chemistry in pre-clinical studies (oncology and nuclear medicine): from the design of new chelators and targeting molecules to the formation of metal complexes.
Coordination compounds of transition metal complexes with oligodentate Schiff base ligands for their application as anticancer, antibacterial and antifungal agents
Design and synthesis of coordination compounds of transition metals as chiral probes and water-splitting catalysts
Hybrid ceramic-based biomaterials for therapeutic and environmental applications
Metallo-substituted heme proteins as possible bio-electrocatalysts.
Involvement of native and mutated metalloproteins in redox catalysis and oxidative stress.
· Synthesis of mesoporous (bio)ceramic scaffolds and functionalization with biomolecules and nanoparticles to add orthogonal therapeutic or biocidal properties
· Metabolomics on tissues, cells and biofluids via Nuclear Magnetic Resonance (NMR)
Researchers: Gianantonio Battistuzzi, Marco Borsari, Erika Ferrari, Gigliola Lusvardi, Gianluca Malavasi, Adele Mucci, Luca Rigamonti, Alfonso Zambon