Research outputs

XXXVIII Cycle

Publications:

Schiavina M., Bracaglia L., Bolognesi T., Rodella M. A., Tagliaferro G., Tino A. S., Pierattelli R., Felli I. C., Intrinsically Disordered Proteins Studied by NMR Spectroscopy. Journal of Magnetic Resonance Open 2024, 18. https://doi.org/10.1016/j.jmro.2023.100143.

Pham LBT, Costantino A, Barbieri L, Calderone V, Luchinat E, Banci L, Direct Expression of Fluorinated Proteins in Human Cells for 19F In-Cell NMR Spectroscopy. J Am Chem Soc. 2023 Jan 18;145(2):1389-1399. doi: 10.1021/jacs.2c12086. Epub 2023 Jan 5.

Costantino A, Pham LBT, Barbieri L, Calderone V, Ben-Nissan G, Sharon M, Banci L, Luchinat E., Controlling the incorporation of fluorinated amino acids in human cells and its structural impact. Protein Sci. 2024 Mar;33(3):e4910. doi: 10.1002/pro.4910.

Grifagni D, Lenci E, De Santis A, Orsetti A, Barracchia CG, Tedesco F, Bellini Puglielli R, Lucarelli F, Lauriola A, Assfalg M, Cantini F, Calderone V, Guardavaccaro D, Trabocchi A, D'Onofrio M, Ciofi-Baffoni S., Development of a GC-376 Based Peptidomimetic PROTAC as a Degrader of 3-Chymotrypsin-like Protease of SARS-CoV-2. ACS Med Chem Lett. 2024 Jan 10;15(2):250-257. doi: 10.1021/acsmedchemlett.3c00498. eCollection 2024

Massai L, Grifagni D, De Santis A, Geri A, Cantini F, Calderone V, Banci L, Messori L., Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs. Biomolecules. 2022 Nov 11;12(11):1675. doi: 10.3390/biom12111675.

De Santis A, Grifagni D, Orsetti A, Lenci E, Rosato A, D'Onofrio M, Trabocchi A, Ciofi-Baffoni S, Cantini F, Calderone V., A Structural Investigation of the Interaction between a GC-376-Based Peptidomimetic PROTAC and Its Precursor with the Viral Main Protease of Coxsackievirus B3. Biomolecules. 2024 Oct 6;14(10):1260. doi: 10.3390/biom14101260.

Schiavina M, Bracaglia L, Rodella MA, Kümmerle R, Konrat R, Felli IC, Pierattelli R., Optimal 13C NMR investigation of intrinsically disordered proteins at 1.2 GHz. Nat Protoc. 2024 Feb;19(2):406-440. doi: 10.1038/s41596-023-00921-9. Epub 2023 Dec 12.

Knödlstorfer S, Schiavina M, Rodella MA, Ledolter K, Konrat R, Pierattelli R, Felli IC., Disentangling the Complexity in Protein Complexes Using Complementary Isotope-Labeling and Multiple-Receiver NMR Spectroscopy. J Am Chem Soc. 2024 Oct 16;146(41):27983-27987. doi: 10.1021/jacs.4c09176. Epub 2024 Oct 7.

Rodella MA, Schneider R, Kümmerle R, Felli IC, Pierattelli R., 15N-detected TROSY for 1H-15N heteronuclear correlation to study intrinsically disordered proteins: strategies to increase spectral quality. J Biomol NMR. 2025 Mar;79(1):15-24. doi: 10.1007/s10858-024-00453-8. Epub 2025 Jan 22.

Rosati M, Barbieri L, Hlavac M, Kratzwald S, Lichtenecker RJ, Konrat R, Luchinat E, Banci L., Towards cost-effective side-chain isotope labelling of proteins expressed in human cells. J Biomol NMR. 2024 Dec;78(4):237-247. doi: 10.1007/s10858-024-00447-6. Epub 2024 Aug 22.

Toscano G, Rosati M, Barbieri L, Maier K, Banci L, Luchinat E, Konrat R, Lichtenecker RJ., The synthesis of specifically isotope labelled fluorotryptophan and its use in mammalian cell-based protein expression for 19F-NMR applications. Chem Commun (Camb). 2024 Nov 28;60(96):14188-14191. doi: 10.1039/d4cc04789c.

XXXVII Cycle

Publications:

Bargagna, B., Matteucci, S., Ciofi-Baffoni, S., Camponeschi, F., Banci, L. (2023). Unraveling the mechanism of [4Fe-4S] cluster assembly on the N-terminal cluster binding site of NUBP1. Protein Science: a publication of the Protein Society, 32(5), e4625. doi: 10.1002/pro.4625. (Impact Factor: 6.993).

Bargagna, B., Banci, L., Camponeschi, F. (2023). Understanding the Molecular Basis of the Multiple Mitochondrial Dysfunctions Syndrome 2: The Disease-Causing His96Arg Mutation of BOLA3. International journal of molecular sciences, 24(14), 11734. doi: 10.3390/ijms241411734 (Impact Factor: 6.208).

Bargagna, B., Staderini T., Lang H. S., Banci, L., Camponeschi, F. Defects in the maturation of mitochondrial iron-sulfur proteins: biophysical investigation of the MMDS3 causing Gly104Cys variant of IBA57. Int J Mol Sci. 2024 Sep 28;25(19):10466. doi: 10.3390/ijms251910466.

E. Ravera, L. Gigli, L. Fiorucci, C. Luchinat, and G. Parigi (2022). “The evolution of paramagnetic NMR as a tool in structural biology”. In: Physical Chemistry Chemical Physics 24.29, pp. 17397–17416 I.F.: 3.676

F. Bruno, L. Fiorucci, and E. Ravera (2023). “Sensitivity considerations on denoising series of spectra by singular value decomposition”. In: Magnetic Resonance in Chemistry 61.6, pp. 373– 379 I.F.: 2.392

L. Querci, L. Fiorucci, E. Ravera, and M. Piccioli (2023). “Paramagnetic nuclear magnetic resonance: The Toolkit”. In: Inorganics 12.1, p. 15 I.F.: 3.1

L. Fiorucci, M. Schiavina, I. C. Felli, R. Pierattelli, and E. Ravera (2024). “Are Protein Conformational Ensembles in Agreement with Experimental Data? A Geometrical Interpretation of the Problem”. In: Journal of Chemical Information and Modeling 64.14, pp. 5392–5401I.F.: 5.9

Di Carluccio, C., Cerofolini, L., Moreira, M., Rosu, F., Padilla-Cortes, L., Gheorghita, G.R., Xu, Z., Santra, A., Yu, H., Yokoyama, S., Gray, T.E., St.Laurent, C.D., Manabe, Y., Chen, X., Fukase, K., Macauley, M.S., Molinaro, A., Li, T., Bensing, B.A., Marchetti, R., Gabelica, V., Fragai, M., Silipo, M., Molecular Insights into O-linked Sialoglycans Recognition by the Siglec-like SLBR-N (SLBRUB10712) of Steptococcus gordonii, ACS Central Science 2024, 10 (2): 447, 10.1021/acscentsci.3c01598

Fallarini, S., Cerofolini, L., Salobehaj, M., Rizzo, D., Gheorghita, G.R., Licciardi, G., Capialbi, D.E., Zullo, V., Sodini, A., Nativi, C., Fragai, M., Site-Selective Functionalized PD-1 Mutant for a Modular Immunological Activity against Cancer cells, Biomacromolecules 2023, 24 (11): 5428, 10.1021/acs.biomac.3c00893

Monaci V, Gasperini G, Banci L, Micoli F, Cantini F. 1H, 13C and 15N assignment of self-complemented MrkA protein antigen from Klebsiella pneumoniae. Biomol NMR Assign. 2024 Jul 17. doi: 10.1007/s12104-024-10185-3. Epub ahead of print. PMID: 39018011.

L. Niccoli, G. Casano, G. Menzildjian, M. Yulikov, T. Robinson, S.-E. Akrial, Z. Wang, C. Reiter, A. Purea, D. Siri, A. Venkatesh, L. Emsley, D. Gajan, M. Lelli, O. Ouari, A. Lesage, Chem. Sci. 2024, DOI 10.1039/D4SC04473H. Impact factor : 7.6 (2023)

S. Badoni, P. Berruyer, L. Niccoli, A. Lesage, L. Emsley, J. Phys. Chem. A 2024, 128 , 7005–7012. Impact factor : 2.7 (2023)

J. Tricomi, M. Cacaci, G. Biagiotti, L. Caselli, L. Niccoli, R. Torelli, A. Gabbani, M. D. Vito, F. Pineider, M. Severi, M. Sanguinetti, E. Menna, M. Lelli, D. Berti, S. Cicchi, F. Bugli, B. Richichi, Nanoscale 2022, 14 , 10190–10199. Impact factor : 5.8 (2023)

G. Menzildjian, A. Lund, M. Yulikov, D. Gajan, L. Niccoli, G. Karthikeyan, G. Casano, G. Jeschke, O. Ouari, M. Lelli, A. Lesage, J. Phys. Chem. B 2021, 125 , 13329–13338. Impact factor : 2.8 (2023)

Cerofolini, L.; Ramberg, K. O.; Padilla, L. C.; Antonik, P.; Ravera, E.; Luchinat, C.; Fragai, M.; Crowley, P. B. Solid-State NMR – a Complementary Technique for Protein Framework Characterization. Chem. Commun. 2023, 59 (6), 776–779.

Cerofolini, L.; Vasa, K.; Bianconi, E.; Salobehaj, M.; Cappelli, G.; Bonciani, A.; Licciardi, G.; Pérez‐Ràfols, A.; Padilla‐Cortés, L.; Antonacci, S.; Rizzo, D.; Ravera, E.; Viglianisi, C.; Calderone, V.; Parigi, G.; Luchinat, C.; Macchiarulo, A.; Menichetti, S.; Fragai, M. Combining Solid‐State NMR with Structural and Biophysical Techniques to Design Challenging Protein‐Drug Conjugates. Angew. Chem. Int. Ed. 2023, 62 (31), e202303202.

Di Carluccio, C.; Cerofolini, L.; Moreira, M.; Rosu, F.; Padilla-Cortés, L.; Gheorghita, G. R.; Xu, Z.; Santra, A.; Yu, H.; Yokoyama, S.; Gray, T. E.; St. Laurent, C. D.; Manabe, Y.; Chen, X.; Fukase, K.; Macauley, M. S.; Molinaro, A.; Li, T.; Bensing, B. A.; Marchetti, R.; Gabelica, V.; Fragai, M.; Silipo, A. Molecular Insights into O-Linked Sialoglycans Recognition by the Siglec-Like SLBR-N (SLBR UB10712 ) of Streptococcus Gordonii. ACS Cent. Sci. 2024, 10 (2), 447–459.

S. Caputo, A. Kovtun, F. Bruno, E. Ravera, C. Lambruschini, M. Melucci, L. Moni “Study and application of graphene oxide in the synthesis of 2, 3-disubstituted quinolines via a Povarov multicomponent reaction and subsequent oxidation”. RSC Adv., 2022,12, 15834-15847, DOI: 10.1039/d2ra01752k (IF: 3.245)

F. Bruno, L. Gigli, G. Ferraro, A. Cavallo, V. K. Michaelis, G. Goobes, E. Fratini, and E. Ravera “Lysozyme is Sterically Trapped Within the Silica Cage in Bioinspired Silica–Lysozyme Composites: A Multi-Technique Understanding of Elusive Protein–Material Interactions”. Langmuir 2022 38 (26), 8030-8037, DOI: 10.1021/acs.langmuir.2c00836 (IF: 4.331)

Brunetti A, Pintus A, Lombardi L, Kovtun A, Mascietti F, Bruno F, Ravera E, Melucc Mi, Bertuzzi G, Bandini M. Graphene‐Oxide Mediated Chemodivergent Ring‐Opening of Cyclobutanols, Chinese Journal of Chemistry, 2023, 41(11), 1333-1340, doi.org/10.1002/cjoc.202200757 (IF 5.56)

F. Bruno, E. Luchinat, K. Kazimierczuk, and E. Ravera, Fast 2D NMR to investigate dynamic events in biomolecules in Fast 2D Solution-state NMRConcepts and Applications, ed. J. Dumez and P. Giraudeau, The Royal Society of Chemistry, 2023, ch. 10, pp. 284-310.

F. Bruno, L. Gigli, and E. Ravera. “Spin label study of the orientational preferences of lysozyme in a bioinspired silica composite”. In: Journal of Composites Science 7.5 (2023), p. 188 IF: 3.300

Rizzo D, Cerofolini L, Giuntini S, Iozzino L, Pergola C, Sacco F, Palmese A, Ravera E, Luchinat C, Baroni F & Fragai M. (2022) Epitope Mapping and Binding Assessment by Solid-State NMR provide a Way for the Development of Biologics under the Quality by Design Paradigm. J. Am. Chem. Soc. 144, 10006–10016.

Cerofolini L, Ravera E, Fischer C, Trovato A, Sacco F, Palinsky W, Angiuoni G, Fragai M, Baroni F. (2023) Integration of NMR spectroscopy in an analytical workflow to evaluate the effects of oxidative stress on Abituzumab: beyond the fingerprint of mAbs: Beyond the fingerprint of mAbs. Anal. Chem. 95, 24, 9199–9206

Jekhmane, S.; Derks, M. G. N.; Maity, S.; Slingerland, C. J.; Tehrani, K. H. M. E.; Medeiros-Silva, J.; Charitou, V.; Ammerlaan, D.; Fetz, C.; Consoli, N. A.; Cochrane, R. V. K.; Matheson, E. J.; van der Weijde, M.; Elenbaas, B. O. W.; Lavore, F.; Cox, R.; Lorent, J. H.; Baldus, M.; Künzler, M.; Lelli, M.; Cochrane, S. A.; Martin, N. I.; Roos, W. H.; Breukink, E.; Weingarth, M. Host Defence Peptide Plectasin Targets Bacterial Cell Wall Precursor Lipid II by a Calcium-Sensitive Supramolecular Mechanism. Nature Microbiology 2024, 9 (7), 1778–1791

Communications at Conferences

Beatrice Bargagna:
- TIMB3 Final Meeting (Tomar, Portugal, June 27-28, 2022) [Poster]
- COST action – Fe-S clusters: from chemistry to immunology. First Scientific Meeting – (Carcavelos, Portugal. 23-25 February 2023) [Poster]
- COST action – Fe-S clusters: from chemistry to immunology. Young Investigator Meeting – (Delft, The Netherlands. 9-11 August 2023) [Oral presentation]
- AMYC-BIOMED 2023 (Firenze, 16th-18th October 2023) [SLAM-short oral communication]
- 48th FEBS Congress – Mining biochemistry for human health and well-being (Milano, 29th June-3rd July 2024) [Poster]

Francesco Bruno:
- ChiantiWorkshop: Opening New Doors for Magnetic Resonance − 19-24 June 2022, Principina Terra (GR), Italy, Poster presentation and flash talk
- Italian-French International Conference on Magnetic Resonance − 27-30 September 2022, Milan (MI), Italy, Poster presentation
- GIDRM DAY: Data analysis and NMR: from fundamental aspects to health and materials applications, in memory of Stefano Caldarelli − 14 October 2022,> online Organizer
- 5^th G-NMR School − 6-10 March 2023 in Düsseldorf, Germany, Poster presentation
- 51^st National Conference on Magnetic Resonance − 4-6 September 2024, Florence (FI), Italy, Poster presentation

Naomi Anna Consoli:
- Chianti Workshop: Opening New Doors for Magnetic Resonance- 19-24 June 2022, Principina Terra (GR), Italy (Poster Session)
- Chianti Workshop: A journey through 40-years of magnetic resonance discoveries: From pioneers to Gen-Z - 16-17 May 2024, Florence (FI), Italy (Poster session)
- 51st National conference on magnetic resonance – 4-6 September 2024, Florence (FI), Italy (Poster Session)

Letizia Fiorucci:
- ChiantiWorkshop: Opening New Doors for Magnetic Resonance − 19-24 June 2022, Principina Terra (GR), Italy − Poster presentation and flash talk
- Italian-French International Conference on Magnetic Resonance − 27-30 September 2022, Milan, (MI), Italy − Poster presentation
- Chianti Workshop: A journey through 40-years of magnetic resonance discoveries: From pioneersto Gen-Z − 16-17 May 2024, Florence (FI), Italy − Poster presentation
- 51^st National Conference on Magnetic Resonance − 4-6 September 2024, Florence (FI), Italy − Oral presentation
- COST School “Application of NMR Spectroscopy to study FeS Proteins” − 05-07 September 2023, Florence (FI), Italy − Teacher at the NMR practical sessions

Giulia Roxana Gheorghita:
- GLYTUNES ITN 1st meeting, 13th -15th Dec. 2021, Naples, Italy, Oral presentation
- GLYTUNES ITN 2nd meeting, 7th - 10th June 2022, Amsterdam, the Netherlands, Oral presentation
- Chianti Workshop 2022, 19th - 24th June 2022, Principina Terra, Italy, Oral and Poster presentations
- EMBO Practical Course, 4th - 12th July 2022, Marseille, France, Oral and Poster presentations
- GLYTUNES ITN 3rd meeting, 9th - 11th June 2022, Grenoble, France, Oral presentation
- FEBS Congress 2023, 8th-12th July 2023, Tours, France, Poster presentation
- Glycobasque 6, 2023, 23rd - 24th Nov. 2023, Bilbao, Spain, Oral presentation
- GLYTUNES ITN 4th meeting, 16th - 18th April 2024, Bilbao, Spain, Oral presentation
- Chianti Workshop 2024, 16th-17th May 2024, Florence, Italy, Poster presentation
- SialoGlyco 2024 Symposium, 4th-7th June 2024, Lille, France, Poster presentation

Valentina Monaci:
- GSK Research and Development Days 2022 (Siena, 14-15 June 2022); Poster
- XIV Annual GSK Vaccines PhD and PostDoc Workshop 2022 - (Siena, 22-23 September 2022); Poster
- Global Health Summit 2023 (Brussels, 21-22 March 2023);
- Virus-Like Particle and Nano-Particle Vaccines (VLPNPV) 2023 (Riga, June 27-29, 2023).
- AMYC-BIOMED 2023 (Firenze, 16-18 October 2023); Poster
- GSK Research and Development Days 2023 (Siena, 6-7 June 2023); Poster
- XV Annual GSK Vaccines PhD and PostDoc Workshop 2023 - (Siena, 21-22 November 2023); Poster.

Lorezo Niccoli:
- 51th National Conference on Magnetic Resonance, Florence, Italy, Oral presentation, Sep. 2024
- Chianti Workshop 2024, Florence, Italy, Poster presentation, May 2024
- Experimental NMR Conference, Asilomar, CA, U.S.A., Poster presentation, Apr. 2024
- International Hyperpolarization Conference, Leipzig, Germany, Short oral presentation, Sept. 2023
- 4émesJournées RMN du Grand Sud, Lyon, France, Poster presentation, May. 2023
- Italian-French International Conference on Magnetic Resonance, Milan, Italy, Poster presentation, Sept. 2022
- Chianti Workshop 2022, Principina Terra, Italy – Local organizer, Poster presentation, June 2022

Luis David Padilla Cortés:
- 2^nd Glytunes meeting, Amsterdam, Netherlands, Jun-22, Progress report
- Chianti Workshop, Grosseto, Italy, Jun-22, Poster talk and poster presentation
- British Biophysical Society Meeting, Galway, Ireland, Jul-22, Poster presentation (EBSA travel bursary awarded)
- 3^rd Glytunes meeting, Grenoble, France, May-23, Progress report
- EUROMAR 2023, Glasgow, UK, Jul-23, Poster talk and poster presentation
- Structural biophysics of biomolecular complexes EMBO course, Istanbul, Turkey, Sep-23, Poster presentation
- PANACEA 2nd annual meeting, Florence, Italy, Nov-23, Poster presentation
- 4^th Glytunes meeting, Bilbao, Spain, Apr-24, Progress report
- Sialoglyco2024, Lille, France, Jun-24, Flash talk and poster presentation
- EUROMAR 2024, Bilbao, Spain, Jul-24, Poster presentation

Francesca Sacco:
Symposium on structural proteomics – Utrecht (NL), Poster presented, 24^th – 25^th April 2023
American Society for Mass Spectrometry conference – Anaheim (CA). Poster presented, 2^nd – 6^th June 2024

XXXVI Cycle

Publications

Bazayeva M, Laveglia V, Andreini C, Rosato A. Metal-induced structural variability of mononuclear metal-binding sites from a database perspective. J Inorg Biochem. 2023 Jan;238:112025. doi: 10.1016/j.jinorgbio.2022.112025

Bazayeva M, Giachetti A, Pagliai M, Rosato A. A Comparison of Bonded and Nonbonded Zinc(II) Force Fields with NMR Data. Int J Mol Sci. 2023 Mar 13;24(6):5440. doi: 10.3390/ijms24065440

Licciardi G, Rizzo D, Ravera E, Fragai M, Parigi G, Luchinat C. (2021). Not only manganese, but fruit component effects dictate the efficiency of fruit juice as an oral magnetic resonance imaging contrast agent. NMR in Biomedicine, 35(2), e4623. Journal I.F.: 4.5/p>

Licciardi G, Rizzo D, Salobehaj M, Massai L, Geri A, Messori L, Ravera E, Fragai M, Parigi G. (2022). Large Protein Assemblies for High-Relaxivity Contrast Agents: The Case of Gadolinium-Labeled Asparaginase. Bioconjugate Chemistry, 33(12), 2411-2419. Journal I.F.: 4.7/p>

Kaster M A, Levasseur M D, Edwardson T G, Caldwell M A, Hofmann D, Licciardi G, Parigi G, Luchinat C, Hilvert D, Meade T J. (2023). Engineered Nonviral Protein Cages Modified for MR Imaging. ACS Applied Bio Materials, 6(2), 591-602. Journal I.F.: 4.7/p>

Cerofolini L, Vasa K, Bianconi E, Salobehaj M, Cappelli G, Bonciani A, Licciardi G, Pérez-Ràfols A, Padilla-Cortés L, Antonacci S, Rizzo D, Ravera E, Viglianisi C, Calderone V, Parigi G, Luchinat C, Macchiarulo A, Menichetti S, Fragai M (2023). Combining Solid‐State NMR with Structural and Biophysical Techniques to Design Challenging Protein‐Drug
Conjugates. Angewandte Chemie International Edition, e202303202. Journal I. F.: 16.6

Pham LBT, Costantino A, Barbieri L, Calderone V, Luchinat E, Banci L. Direct expression of fluorinated proteins in human cells for 19F in-cell NMR spectroscopy. J. Am. Chem. Soc. 2023, 145, 2, 1389–1399, doi.org/10.1021/jacs.2c12086

Donati G, D’Amore VM, Russomanno P, Cerofolini L, Amato J, Marzano S, Salobehaj M, Rizzo D, Assoni G, Carotenuto A, La Pietra V, Arosio D, Seneci P, Fragai M, Brancaccio D, Di Leva FS, Marinelli L. Theoretical and experimental studies on the interaction of biphenyl ligands with human and murine PD-L1: Up-to-date clues for drug design, Comput. Struct. Biotechnol. J., 2023, 21, 3355-3368, doi.org/10.1016/j.csbj.2023.06.006

Fallarini S, Cerofolini L, Salobehaj M, Rizzo D, Gheorghita GR, Licciardi G, Capialbi DE, Zullo V, Sodini A, Nativi C, and Fragai M. Site-selective functionalized PD-1 mutant for a modular immunological activity against cancer cells. Biomacromolecules, 2023, doi: 10.1021/acs.biomac.3c00893

Communications at Conferences

Giulia Licciardi:

- Italian-French international conference on magnetic resonance by GIDRM, Milano, 27-30 September 2022; Poster contribution.

Lan Bach Tung Pham:

- Instruct-ERIC Structural Biology Biennial Conference May 2022 at Utrecth, The Netherlands. poster presentation

Maria Salobehaj:

- Convegno-Scuola sulla Chimica dei Carboidrato (XVIII CSCC 2023) 25-28 June 2023; poster contribution.

XXXV Cycle

Publications

Grifagni D, Calderone V, Giuntini S, Cantini F, Fragai M, Banci L . SARS-CoV-2 M pro inhibition by a zinc ion: structural features and hints for drug design. Chem Comm. 2021, 57(64), 7910-7913

Di Cesare, F., Tenori, L., Meoni, G. et al. Lipid and metabolite correlation networks specific to clinical and biochemical covariate show differences associated with sexual dimorphism in a cohort of nonagenarians. GeroScience, 2021, https://doi.org/10.1007/s11357-021-00404-3

Francesconi, O., Milanesi, F., Nativi, C., Roelens, S., Simple Biomimetic Receptor Selectively Recognizing the GlcNAc2 Disaccharide in Water, Angew. Chem. Int. Ed., 2021, 60, 11168-11176

Francesconi, O., Milanesi, F., Nativi, C., Roelens, S., Molecular Recognition of Disaccharides in Water: Preorganized Macrocyclic or Adaptive Acyclic? Chem. Eur. J., 2021, 27, 10456-10460

Marchetti R., Forgione R.E., Di Carluccio C., Milanesi F., Kubota M., Nieto F.F.,Molinaro A., Hashiguchi T., Francesconi O., Silipo A., Characterization of natural and synthetic sialoglycans targeting the Hemagglutinin-Neuraminidase of mumps virus, Front. Chem., doi: 0.3389/fchem.2021.711346

Torricella F, Bonucci A, Polykretis P, Cencetti F and Banci L. Rapid protein delivery to living cells for biomolecular investigation. Biochem Biophys Res Commun 2021, 570, 82-88; (IF:3.575)

Torricella, F., Pierro, A., Mileo, E., Belle, V., Bonucci, A., Nitroxide spin labels and EPR spectroscopy: A powerful association for protein dynamics studies. Biochim Biophys Acta Proteins Proteom 2021, 1869 (7), 140653

Maione V, Grifagni D, Torricella F, Cantini F, Banci L., CIAO3 protein forms a stable ternary complex with two key players of the human cytosolic iron-sulfur cluster assembly machinery. J Biol Inorg Chem.2020 May;25(3):501-508

Rizzo D, Cerofolini L, Pérez-Ràfols A, Giuntini S, Baroni F, Ravera E, Luchinat C, and Fragai M, Evaluation of the Higher Order Structure of Biotherapeutics Embedded in Hydrogels for Bioprinting and Drug Release, Anal. Chem. 2021, 93, 32, 11208–11214

Communications at Conferences

Francesca Di Cesare:

- Webinar, XXVI congresso nazionale SISET, 5th-7 th November 2021 Virtual poster contribution and short presentation: ¹H-NMR-based metabolomics reveals sex-effect in nonagenarian metabolic profiles and is a useful tool for the prediction of cognitive impairment and elderly depression
- Webinar, “EUROMAR 2021”, 5th-8 th July 2021 Virtual poster contribution and short presentation: 1H NMR-based metabolomics to investigate the effect of probiotics on human phenotype
- “11th PROBIOTICS, PREBIOTICS NEW FOODS, NUTRACEUTICALS AND BOTANICALS for NUTRITION & HUMAN and MICROBIOTA HEALTH”, 12nd-14th September 2021, Rome, Poster contribution: 1H NMR-based metabolomics to investigate the effect of probiotics on human phenotype
- Webinar, “Magnetic Resonance meets the future of Biophysics”, 25/09/2020, Virtual poster contribution:1H NMR-based metabolomics to investigate and analyze the sex-specific nonagenarian lipid and metabolite correlation networks

Francesco Milanesi:

- CIMPIS days 2020, 21st February 2020, University of Pavia, Oral communication "Biomimetic Receptors for Molecular Recognition of Disaccharides in Water"

- COST Action 18132 – WG1 (Virtual Meeting 1), 11th Genuary 2021, Oral communication (Book of Abstracts: page 8) "A tweezer-shaped diaminocarbazolic receptor for the selective recognition of N,N’-
diacetylchitobiose in water."
- ‘’A. Corbella’’ International Summer School on Organic Synthesis, 16th June 2021, Flash Communication (O-31) "A Simple Acyclic Receptor Recognizing the GlcNAc2 Disaccharide in Water."
- Advanced School on Carbohydrate Chemistry, 4th-7th July 2021, Oral communication and poster communication (OC-4; PC-10), Oral Title: "A Tweezers-Shaped Receptor for Molecular Recognition of the GlcNAc2
Disaccharide.", Poster Title: "Synthesis of a Thio-Analogue of Sialyllactose as Inhibitor of Mumps Virus Neuraminidase."
- SCI2021, 14th-23rd September 2021, Poster Communication (ORG PO072) "Tuning the Siglec-Sialylated Glycans Axis: Design and Synthesis of Novel Analogs and Mimetics."
- CINMPIS Days 2021, 8th September 2021,Oral Communication (OC26) "Synthesis of a Thio-Analogue of Sialyllactose to Target Mumps Virus Neuraminidase

Francesco Torricella:

- EFEPR school in BRNO 18-25/11/19 (Poster prize winner) molspin COST fellowship

XXXIV Cycle

Publications

Matteucci S, Camponeschi F, Clémancey M, Ciofi-Baffoni S, Blondin G, Banci L. In-cellulo Mӧssbauer and EPR studies bring new evidences to the long-standing debate on the iron-sulfur cluster binding in human anamorsin. Angew. Chem. Int. Ed. 2021, 60, 14841–14845

Rizzo D, Ravera E, Fragai M, Parigi G, Luchinat C. Origin of the MRI Contrast in Natural and Hydrogel Formulation of Pineapple Juice, Bioinorganic Chemistry and Applications. 2021, Article ID 6666018

Suraci D, Saudino G, Nasta V, Ciofi baffoni S, Banci L ISCA1 orchestrates ISCA2 and NFU1 in the maturation of human mitochondrial [4Fe-4S] proteins, J Mol Biol, 2021, 433, 10,166924

Altincekic N, Korn M, Schiavina M, et al.. Large-scale recombinant production of the SARS-CoV-2 proteome for high-throughput and structural biology applications, Frontiers in Molecular Biosciences, 2021, 8, 89

Schiavina M, Pontoriero L, Uversky, Felli IC, Pierattelli R. The highly flexible disordered regions of the SARS-CoV-2 nucleocapsid N protein within the 1–248 residue construct: sequence-specific resonance assignments through NMR. Biomolecular NMR Assignments, 2021, 15, 1, 219-227

Pontoriero L., Schiavina M., Murrali M., Pierattelli P., Felli I.C., Monitoring the Interaction of α‐Synuclein with Calcium Ions through Exclusively Heteronuclear Nuclear Magnetic Resonance Experiments, Angew. Chem. Int. Ed.2020, 132, 18696-18704

Mateos B; Conrad-Billroth C; Schiavina M.; Beier A; Kontaxis G; Konrat R; Felli IC; Pierattelli R The ambivalent role of proline residues in an intrinsically disordered protein: from disorder promoters to compaction facilitators J Mol Biol. 2020 doi: 10.1016/j.jmb.2019.11.015

Schiavina M, Salladini E, Murrali MG, Tria G, Felli IC, Pierattelli R, Longhi S Ensemble description of the intrinsically disordered N-terminal domain of the Nipah virus P/V protein from combined NMR and SAXS. Sci Rep.2020 Nov 11;10(1):19574.

Cerofolini L, Ravera E, Bologna S, Wiglenda T, Böddrich A, Purfürst B, Benilova I, Korsak M, Gallo G, Rizzo D, Gonnelli L, Fragai M, De Strooper B, Wanker EE, Luchinat C. Mixing Aβ(1-40) and Aβ(1-42) peptides generates unique amyloid fibrils. Chem Commun (Camb).2020; 56, 8830-8833.

Schiavina,M, Murrali MG, Letizia Pontoriero, Sainati V, Kümmerle R, Bermel W, Pierattelli R, Felli IC Taking Simultaneous Snapshots of Intrinsically Disordered Proteins in Action, Biophys J, (2019) 117, 46-55 (IF 3.495)

Daniels, M.J.; Nourse, J.B. Jr; Kim, H.; Sainati V.; Schiavina, M.; Murrali, M.G.; Pan, B.; Ferrie, J.J.; Haney, C.M.; Moons, R.; Gould, N.S.; Natalello, A.; Grandori, R.; Sobott, F.; Petersson, E.J.; Rhoades, E.; Pierattelli, R.; Felli, I.C.; Uversky, V.N.; Caldwell, K.A.; Caldwell, G.A.; Krol, E.S.; Ischiropoulos, H. Cyclized NDGA modifies dynamic -synuclein monomers preventing aggregation and toxicity Scientific reports. (2019) 9, 2937 (IF 4.525)

Murrali MG, Schiavina M, Sainati V, Bermel W, Pierattelli R, Felli IC., 13 C APSY-NMR for sequential assignment of intrinsically disordered proteins. J Biomol NMR. (2018); 70, 167-175, (IF 2.534)

Communications at Conferences

Marco Schiavina:

- XLVIII National Congress on Magnetic Resonance: 11th -13th September 2019 L’Aquila (Italy)
- Annual CCPN Conference - Celebrating 30 years of triple resonance assignment methods 15th-17th July 2020 On-Line
- iNEXT 1st annual scientific meeting – 16th February 2021, flash talk.
- Exploring the druggability of SARS-CoV2 online seminar – 9th 10th November 2020, flash talk.
- 22nd International Society of Magnetic Resonance Conference 9th Asia-Pacific NMR Symposium（APNMR9) – 22-27th August 2021, poster presentation confirmed.

Giovanni Saudino:

- 45th FEBS Congress, Molecules of Life: Towards New Horizons, 3rd to 8th July 2021. Poster presentation.
- Scuola Nazionale di Risonanza Magnetica Nucleare - Universita' di Torino, organized by GIDRM from 8th to 12nd of July 2019.

XXXIII Cycle

Publications

Luchinat E, Barbieri L, Cremonini M, Banci L. Protein in-cell NMR spectroscopy at 1.2 GHz. J Biomol NMR. 2021 75(2-3):97-107

Pirazzini C, Azevedo T, Licari C, et al. A geroscience approach for Parkinson's disease: Conceptual framework and design of PROPAG-AGEING project PROPAG-AGEING Consortium. Mech Ageing Dev. 2021, 194:111426

Prusty NR, Camponeschi F, Ciofi Baffoni S, Banci L. The human YAE1-ORAOV1 complex of the cytosolic iron-sulfur protein assembly machinery binds a [4Fe-4S] cluster, InorgChim Acta, 2021, 518, 1

Suraci D, Saudino G, Nasta V, Ciofi baffoni S, Banci L ISCA1 orchestrates ISCA2 and NFU1 in the maturation of human mitochondrial [4Fe-4S] proteins, J Mol Biol, 2021, 433, 10, 166924

Camponeschi F, Prusty NR, Heider SAE, Ciofi-Baffoni S, Banci L. GLRX3 Acts as a [2Fe-2S] Cluster Chaperone in the Cytosolic Iron-Sulfur Assembly Machinery Transferring [2Fe-2S] Clusters to NUBP1. J Am Chem Soc.2020;142, 10794-10805.

Basoglu A., Baspinar N., Licari C., Tenori L., Naseri A. Nmr based serum metabolomics for monitoring newborn preterm calves’ health DOI: 10.14943/jjvr.68.2.105 (2020) Japanese Journal of Veterinary Research, 68 (2), pp. 105-115

Basoglu, A., Turgut, K., Baspinar, N., Tenori, L., Licari, C., Ince, M.E., Ertan, M., Suleymanoglu, H., Sayiner, S. Nmr based serum extracts’ metabolomics for evaluation of canine ehrlichiosis DOI: 10.14943/jjvr.68.4.227 (2020) Japanese Journal of Veterinary Research, 68 (4), pp. 227-236.

BasogluA.; Baspinar N.; Tenori L.; Licari C.; GulersoyE. NuclearMagnetic Resonance (NMR)-Based Metabolome Profile Evaluation in Dairy Cows with and without Displaced Abomasum. Veterinary Quarterly2020, 40 (1), 1–15.

Luchinat E., Barbieri L., Cremonini M., Nocentini A., Supuran C.T., and Banci L. Intracellular binding/unbinding kinetics of approved drugs to carbonic anhydrase II observed by in-cell NMR. ACS Chem. Biol.2020 Sept doi.org/10.1021/acschembio.0c00590

Luchinat E., Barbieri L., Cremonini M., Nocentini A., Supuran C.T., Banci L. Drug screening in human cells by NMR allows early assessment of drug potency, Angew. Chem. Int. Ed.2020, 59, 6535 –6539

C. Granchi, M. Lapillo, S. Glasmacher, G. Bononi, C. Licari, G. Poli, M. el Boustani, I. Caligiuri, F. Rizzolio, J. Gertsch, M. Macchia, F. Minutolo, T. Tuccinardi, A. Chicca., Optimization of a benzoylpiperidine class identifies a highly potent, selective and in vivo efficacious reversible MAGL inhibitor; J Med Chem. February 2019, 62(4):1932-1958 (IF 6.05)

Nasta V, Suraci D, Gourdoupis S, Ciofi-Baffoni S, Banci L. A pathway for assembling [4Fe-4S]2+ clusters in mitochondrial iron-sulfur protein biogenesis. FEBS J. (2019) Nov 14. doi: 10.1111/febs.15140 (IF 4.739)

Vignoli A, Ghini V, Meoni G, Licari C, Takis PG, Tenori L, Turano P, Luchinat C. High-throughput metabolomics by 1D NMR, Angew Chem Int Ed Engl. (2018), doi: 10.1002/anie.(2018)04736 (IF 11.994)

Communications at Conferences

Cristina Licari:

- Keynote Lecture: 1st Conference on Innovative Researches in Pharmaceutical and Environmental Sciences – 27th November 2019, Pisa, Italy. “NMR-based metabolomics: applications and challenges for clinical and pharmaceutical research”

- Poster: GIDRM-IMASS Advances in NMR and MS-based Metabolomics 2019, 20th- 22th November 2019, Lucca, Italy. “The importance of bucketing procedure for NMR-based metabolomic fingerprinting”.

- PhD day 10th edition, 23rd May 2019, Sesto Fiorentino, Italy.
Oral communication: Nuclear Magnetic Resonance-based Metabolomic approach to study acute ischemic stroke.

- GIDRM XLVIII National Congress on Magnetic Resonance, 11th-13th September 2019, L’Aquila, Italy.
Poster contribution: The importance of bucketing procedure for NMR-based metabolomic fingerprinting

- EMBO workshop: Challenge for Magnetic Resonance in Life Sciences, 27-31 May 2018, Grosseto, IT.
Poster: Application of the NMR technique for the analysis of sera of subjects with diet enriched in DHA.

- GIDRM XLVII National Congress on Magnetic Resonance, 19-21 September 2018, Torino, IT.
Poster: Application of the NMR technique for the analysis of sera of subjects with diet enriched in DHA.

Matteo Cremonini:

- 4th iNEXT Annual User Meeting –June 26-28th 2019 – Lund, Sweden.
Poster: Protein expression in human cells for in-cell NMR

- Timb3 kick-off meeting - November 5-6th 2018 Sintra, Portugal.
Poster: Screening of carbonic anhydrase II inhibitors by in-cell NMR

Dafne Suraci:

- 2nd FeSBionet Training School, 09-14/09/2018, Grenoble
Poster contribution

- PhD Day University of Florence, 23/05/2019,
Poster Contribution

Nihar Ranjan Prusty:

- PhDday 10 2019, University of Florence, Sesto Fiorentino, FI, Italy
Poster: Fe-S protein biogenesis in the human cytosol

XXXII Cycle

Publications

Sala, D, Cerofolini L, Fragai L, Giachetti A, Luchinat C, Rosato A, A protocol to automatically calculate homo-oligomericprotein structures through the integration of evolutionary constraints and NMR ambiguous contacts. Computational and Structural Biotechnology Journal18, 2020, 114-124

Cerofolini L, Ravera E, Bologna S, Wiglenda T, Böddrich A, Purfürst B, Benilova I, Korsak M, Gallo G, Rizzo D, Gonnelli L, Fragai M, De Strooper B, Wanker EE, Luchinat C. Mixing Aβ(1-40)
and Aβ(1-42) peptides generates unique amyloid fibrils. Chem Commun (Camb).2020; 56, 8830-8833.

Murrali MG, Felli IC, Pierattelli R, Adenoviral E1A Exploits Flexibility and Disorder to Target Cellular Proteins; https://doi.org/10.3390/biom10111541,Biomolecules 2020, 10, 1541

Bonucci A, Murrali MG, Banci L, Pierattelli R A combined NMR and EPR investigation on the effect of the disordered RGG regions in the structure and the activity of the RRM domain of FUS. Sci Rep.2020, 10, 20956.

Murrali, MG, Piai,A., Bermel, W., Felli,IC, Pierattelli,R., Prolines' fingerprint in intrinsically disordered proteins, ChemBioChem, (2018), 19, 1625-1629. doi: 10.1002/cbic.(2018)00172 (IF 2.774)

D Sala, A Giachetti, A Rosato An atomistic view of the YiiP structural changes upon zinc (II) binding, Biochimica et Biophysica Acta (BBA) 1863, (2019), 1560-1567 (IF 3.861)

Bellomo G, Bologna S, Gonnelli L, Ravera E, Fragai M, Lelli M, Luchinat C. Aggregation kinetics of the Aβ1-40 peptide monitored by NMR. Chem Commun (Camb). (2018) 7601-7604. doi: 10.1039/c8cc01710g. (IF 6.290)

Bellomo G, Bologna S, Cerofolini L, Paciotti S, Gatticchi L, Ravera E, Parnetti L, Fragai M, Luchinat C., Dissecting the Interactions between Human Serum Albumin and α-Synuclein: New Insights on the Factors Influencing α-Synuclein Aggregation in Biological Fluids. J Phys Chem B. 2019, 123, 4380-4386. (IF 2.923)

Murrali MG, Schiavina M, Sainati V, Bermel W, Pierattelli R, Felli IC., 13 C APSY-NMR for sequential assignment of intrinsically disordered proteins. J Biomol NMR. (2018); 70, 167-175, (IF 2.534)

Sala, D., Musiani, F., Rosato, A. Application of Molecular Dynamics to the Investigation of Metalloproteins Involved in Metal Homeostasis Eur. J. Inorg. Chem. (2018), (43), pp. 4661-4677 (IF 2.507)

Sala, D., Giachetti, A., Rosato, A., Molecular dynamics simulations of metalloproteins: A folding study of rubredoxin from Pyrococcus furiosus AIMS Biophysics (2018) 5(1), pp. 77-96

Andreini C, Putignano V, Rosato A, Banci L.The human iron-proteome, Metallomics. (2018) doi: 10.1039/c8mt00146d. 10, 1223-1231 (IF 3.975)

Putignano V, Rosato A, Banci L, Andreini C., MetalPDB in 2018: a database of metal sites in biological macromolecular structures., Nucleic Acids Res. 2017, doi: 10.1093/nar/gkx989 (IF 10.162).

Sala, D., Ciambellotti, S., Giachetti, A., Turano, P., and Rosato, A., Investigation of the Iron(II) Release Mechanism of Human H-Ferritin as a Function of pH, J.Chem Inf.Model., 57, 2112-2118, 2017 (IF 3.760).

Sala, D., Giachetti, A., Luchinat, C., and Rosato, A. A protocol for therefinement of NMR structures using simultaneously pseudocontact shift restraints from multiple lanthanide ions. J.Biomol.NMR 66, 175-185 (2016) (IF 3.141)

Communications at Conferences

Sara Bologna

- Principina Terra (Grosseto): Challenges for magnetic resonance in life sciences EMBO (27/05/2018-01/06/2018) poster presentation “Human serum albumin and α-synuclein partnership: dissecting the interaction modes by NMR".

Maria Grazia Murrali

- “Challenges for magnetic resonance in life sciences” - EMBO workshop, Grosseto 27-31 May 2018, poster presentation.
- “Intrinsically disordered proteins conference” – Gordon Research Conference, Les Diablerets (Switzerland) 01-06 July 2018, poster presentation.
- “NMR: a tool for Biology” – Conference, Institut Pasteur, Paris, 28-30 January 2019, poster presentation.
- “EUROISMAR 2019” , Berlin 25-30 August 2019, poster presentation.

Davide Sala

- September 11th – 13th, 2019. DCSB 2019 - Oral presentation
- May 22nd – 24th, 2019. Instruct Biennial Structural Biology Conference: Deeper into the Cell - Poster presentation
- May 19th – 21st, 2018. Merck & Elsevier Young Chemists Symposium 2018 - Poster presentation
- September 10th – 14th, 2017. XXVI Congress of the Italian Chemical Society - Oral presentation

Here you can find the infos on the previous cycles