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Contacts:
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Supervisors:
Dr. Tarita Biver

Title:
Mechanistic studies on the interaction between small molecules and biosubstrates: a multitechnique approach

Abstract:
This project concerns the comprehension of the mechanistic aspects of the direct interaction between small molecules and biosubstrates, by employing a combined spectroscopic and computational approach. The aim of the project is to produce and offer to the community reliable data for complex selected systems of high biomedical interest. For every system, the critical aspects are highlighted and discussed in order to correctly design the experiments and treat the data.

List of publications:
1. S. Aydinoglu, T. Biver, D. Greco, F. Macii, “Mechanistic details on Pd(II)/5,10,15,20-tetrakis(1-methyl-4-pyridiyl)-porphyne complex formation and reactivity in the presence of DNA”, Monatshefte fuer Chemie, 149 (2018), 175–183. DOI: 10.1007/s00706-017-2057-y
2. F. Macii, G. Salvadori, Bonini R., S. Giannarelli, B. Mennucci, T. Biver, “Binding of model polycyclic aromatic hydrocarbons and carbamate-pesticides to DNA, BSA, micelles and liposomes”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 223 (2019), 117313. DOI: 10.1016/j.saa.2019.117313
3. F. Macii, C. Perez-Arnaiz, L. Arrico, N. Busto, B. Garcia, T. Biver, “Alcian blue pyridine variant interaction with DNA and RNA polynucleotides and G-quadruplexes: changes in the binding features for different biosubstrates”, Journal of Inorganic Biochemistry, 212 (2020), 111199. DOI: 10.1016/j.jinorgbio.2020.111199
4. F. Macii, T. Biver, “Spectrofluorimetric Analysis of the Binding of a Target Molecule to Serum Albumin: Tricky Aspects and Tips”, Journal of Inorganic Biochemistry, (2020), 111305. DOI: 10.1016/j.jinorgbio.2020.111305
5. F. Macii, L. Cupellini, M. Stifano, J. Santolaya, C. Perez-Arnaiz, A. Pucci, G. Barone, B. Garcia, N. Busto, T. Biver, “Combined spectroscopic and theoretical analysis of the binding of a water-soluble perylene diimide to DNA/RNA polynucleotides and G-quadruplexes”, submitted to Organic & Biomolecular Chemistry
6. F. Macii, R. Detti, F. R. Bloise, S. Giannarelli, T. Biver, “Spectroscopic analysis of the binding features of paraquat and diquat herbicides to biosubstrates”, submitted to International Journal of Enviromental Research and Public Health

Oral presentations at congresses:
1. XIV International Symposium on Inorganic Biochemistry, 5th – 9th September 2018, Wroklaw (Poland) “The effect of charged peripheral substituents on the interaction of Cu(II)-phtalocyanine complexes with biosubstrates” (L. Arrico, T. Biver, L. Di Bari, F. Macii) BEST ORAL PRESENTATION AWARD WINNER
2. XL National Congress on Calorimetry, Thermal Analysis and Applied Thermodynamic, 17th – 19th December 2018, Pisa (Italy) “Thermodynamic analysis of the interaction between two Cu(II)-phtalocyanine complexes and nucleic acids” (F. Macii, L. Arrico, L. Di Bari, T. Biver)

Poster presentations at congresses:
1. XXX International Symposium on Metal Complexes 2018, 3rd – 7th June 2018, Firenze (Italy) “DNA and RNA binding tests of highly positively or negatively charged phtalocyanines” (L. Arrico, T. Biver, L. Di Bari, F. Macii) BEST POSTER AWARD WINNER
2. Chemistry for the future 2018, 4th – 6th July 2018, Pisa (Italy) “Solution properties and ct-DNA binding tests of a perylene diimide with promising anticancer activity” (F. Macii, T. Biver, L. Di Bari, B. Mennucci, A. Pucci)
3. XXXVI Convegno Interregionale TUMA 2018, 4th – 5th October 2018, Pisa (Italy) “Studio delle interazioni fra acidi nucleici e complessi Cu(II)-ftalocianina di interesse biomedico” (F. Macii, L. Arrico, L. Di Bari, T. Biver)
4. XXXI International Symposium on Metal Complexes 2019, 11th – 14th June 2019, Debrecen (Hungary) “Investigation on the Alcian Blue-tetrakis(methylpyridinium) chloride reactivity in presence of DNA, RNA, G-quadruplexstructures and BSA” (F. Macii, C. Peréz Arnaiz, N. Busto, B. Garcìa, T. Biver)
5. Chemistry for the future 2019, 3rd – 5th July 2019, Pisa (Italy) “Binding affinity of PZPERY to double helix DNA and G-quadruplex structures” (F. Macii, C. Peréz Arnaiz, A. Macrì, N. Busto, A. Pucci, B. Mennucci, B. Garcìa, T. Biver)
6. Innovative Researches in Pharmaceutical and Environmental Sciences IRPES2019, 27th November 2019, Pisa (Italy) “Spectroscopic and computational investigation on the binding affinity of a perylene diimide derivative to polynucleotides” (F. Macii, C. Pérez Arnaiz, J. Santolaya, A. Pucci, B. Mennucci, G. Barone, B. Garcia, T. Biver)

Participations to schools and workshops:
1. IV Computer Aided Drug Design Summer School, 8th – 13th July 2019, Pisa (Italy)
2. Workshop: Computational methods and NMR spectroscopy: a powerful synergy for chemistry, materials science and biology, 10th December 2019, Pisa (Italy)
3. Just a peek into the multifaced world of drugs, 22nd – 26th June 2020, Telematic PhD Week organized by Department of Pharmacy (UniPi)

DCCI|UNIPI
Dipartimento di Chimica e Chimica Industriale
Department of Chemistry and Industrial Chemistry
Via G. Moruzzi, 13 - Pisa, Italy
DSCM
Corso di Dottorato in Scienze Chimiche e dei Materiali
Doctoral School in Chemistry and Material Science
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