Inorganic and Bioinorganic Chemistry

The Inorganic and Bioinorganic Chemistry Group is dedicated to the study of interactions between metals, particularly those in the d-block, and biological components (peptides, proteins, and other biomolecules) to understand how these interactions may be involved in the onset and progression of severe pathologies, including chronic inflammation, tumors, and neurodegenerative diseases. At the same time, the group studies the mechanisms of metal ion transport in pathogenic microorganisms to develop targeted therapies. Research on chelation therapy for the selective removal of metal accumulation from the human body is also relevant, through the design and study of complexes formed by biologically relevant metals and chelating ligands, either of natural or synthetic origin. Another area of research concerns the synthesis and characterization of biocompatible enzymatic mimic systems based on metal complexes with peptide derivatives, designed to replicate the catalytic functions of natural enzymes, with the aim of developing innovative and sustainable solutions in the biomedical field. The group is also active in the preparation and study of noble metal nanoparticles, investigating their chemical, physical properties, and potential therapeutic applications. At the same time, it deals with the detection of heavy metals in biological samples of oncological patients, with the aim of correlating the accumulation of toxic metals in tissues and the increased risk of developing neoplasms. The group uses spectroscopic techniques such as NMR mono- and multidimensional heteronuclear spectroscopy, FTIR, UV-vis, EPR, as well as potentiometric studies and other electrochemical techniques. In addition to these research areas, the group is involved in archaeometric analysis, using instruments such as portable XRF, which allows for non-destructive characterization of ceramics, metals, and archaeological surfaces, or using spot tests to reveal markers of human activity. Finally, a significant part of the group's activities is dedicated to scientific dissemination and the third mission, with the aim of making research results accessible to the public and institutions, promoting dialogue between science and society.

The group also employs advanced computational chemistry methods, including DFT and molecular dynamics, to investigate the reactivity and mechanistic operation of various metallodrugs for antitumor, antibacterial, and antiviral applications. This expertise extends to understanding metal binding in proteins, the design of novel chelators for metal ions like uranyl and lead, and exploring reaction mechanisms for organic transformations catalyzed by metals.

Zoroddu Maria Antonietta (zoroddu@uniss.it), Professore Ordinario, CHEM-03/A, ORCID 0000-0001-9583-4750, Scopus Author ID 6701824081

Serenella Medici (sere@uniss.it), Professore Associato, CHEM-03/A, ORCID 0000-0002-4304-0251, Scopus Author ID 6507548354

Massimiliano Francesco Peana (peana@uniss.it), Professore Associato, CHEM-03/A, ORCID 0000-0002-3306-0419, Scopus Author ID: 6505958268

Iogann Tolbatov (itolbatov@uniss.it), Professore Associato, CHEM-03/A, ORCID 0000-0001-9700-5331, Scopus Author ID: 55390305000

Rosita Cappai, rtda, CHEM-03/A, ORCID: 0000-0002-6544-8311, identificativo IRIS rp88662, Scopus Author ID: 57202078571

• Medici, S., M. Peana, V. M. Nurchi, J. I. Lachowicz, G. Crisponi and M. A. Zoroddu (2015). "Noble metals in medicine: Latest advances." Coordination Chemistry Reviews 284: 329-350.
• Medici, S., M. Peana, V. M. Nurchi and M. A. Zoroddu (2019). "Medical Uses of Silver: History, Myths, and Scientific Evidence." J Med Chem 62(13): 5923-5943.
• Nurchi, V. M., R. Cappai, K. Chand, S. Chaves, L. Gano, G. Crisponi, M. Peana, M. A. Zoroddu and M. A. Santos (2019). "New strong extrafunctionalizable tris(3,4-HP) and bis(3,4-HP) metal sequestering agents: synthesis, solution and in vivo metal chelation." Dalton Trans 48(43): 16167-16183.
• Peana, M., A. Pelucelli, C. T. Chasapis, S. P. Perlepes, V. Bekiari, S. Medici and M. A. Zoroddu (2022). "Biological effects of human exposure to environmental cadmium." Biomolecules 13(1): 36.
• Peana, M., A. Pelucelli, S. Medici, R. Cappai, V. M. Nurchi and M. A. Zoroddu (2021). "Metal Toxicity and Speciation: A Review." Curr Med Chem 28(35): 7190-7208.
• Tolbatov, I., Storchi, L. and Marrone, A. (2022). “Structural reshaping of the zinc-finger domain of the SARS-CoV-2 nsp13 protein using bismuth (III) ions: A multilevel computational study.” Inorg Chem 61(39): 15664-15677.
• Tolbatov, I., Barresi, E., Taliani, S., La Mendola, D., Marzo, T. and Marrone, A. (2023). “Diruthenium (II, III) paddlewheel complexes: effects of bridging and axial ligands on anticancer properties.” Inorg Chem Front 10(8): 2226-2238.
• Tolbatov, I., Marzo, T., Umari, P., La Mendola, D. and Marrone, A. (2025). “Detailed mechanism of a DNA/RNA nucleobase substituting bridging ligand in diruthenium (II, III) and dirhodium (II, II) tetraacetato paddlewheel complexes: protonation of the leaving acetate is crucial.” Dalton Trans 54(2): 662-673.

“Metalli Pesanti e Tumori: Comprendere l'Impatto Ambientale sulla Salute Umana” Responsabile: Serenella Medici Finanziato da: Fondazione di Sardegna tramite bando annuale Budget: 15.000 euro

“EnzyMime - Mimici Enzimatici Biocompatibili e Sostenibili Basati su Complessi Metallici con Derivati Peptidici: Sintesi, Caratterizzazione e Potenziali Applicazioni Biologiche” PRIN PNRR 2022 Componente dell'Unità Università di Sassari: Massimiliano Peana Budget dell'Unità: 45.000 euro

“Sintesi e Caratterizzazione di Leganti Organici e Relativi Complessi Metallici tramite Metodi Convenzionali e Meccanochimici: Attività Biologica e Catalitica Potenziale” Principal Investigator: Massimiliano Peana Budget: 33.000 euro-

PNNR “e.INS Ecosystem of Innovation for Next Generation Sardinia” - Codice Progetto: ECS00000038 - CUP UNISS: J83C21000320007 Unità operativa: Serenella Medici

Studies of metal-biomolecule interactions

Mechanisms of metal toxicity

Synthesis of metallic nanoparticles for biomedical applications

Archaeometric analysis of archaeological artifacts

Detection of metals in biological samples

In silico design and mechanistic studies of novel metallodrugs 

Computational exploration of metal ion coordination in biological systems and chelation therapy

Multilevel theoretical investigation of metalloproteins: Understanding metal-binding motifs and functional mechanisms