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NMR of Immobilized Enzymes.

Cerofolini L, Ravera E, Fragai M, Luchinat C.

Methods Mol Biol. 2020;2100:363-383. doi: 10.1007/978-1-0716-0215-7_24.


Differential Network Analysis Reveals Metabolic Determinants Associated with Mortality in Acute Myocardial Infarction Patients and Suggests Potential Mechanisms Underlying Different Clinical Scores Used To Predict Death.

Vignoli A, Tenori L, Giusti B, Valente S, Carrabba N, Balzi D, Barchielli A, Marchionni N, Gensini GF, Marcucci R, Gori AM, Luchinat C, Saccenti E.

J Proteome Res. 2020 Jan 17. doi: 10.1021/acs.jproteome.9b00779. [Epub ahead of print]


DHA-Induced Perturbation of Human Serum Metabolome. Role of the Food Matrix and Co-Administration of Oat β-glucan and Anthocyanins.

Ghini V, Tenori L, Capozzi F, Luchinat C, Bub A, Malpuech-Brugere C, Orfila C, Ricciardiello L, Bordoni A.

Nutrients. 2019 Dec 27;12(1). pii: E86. doi: 10.3390/nu12010086.


Magnetic susceptibility and paramagnetism-based NMR.

Parigi G, Ravera E, Luchinat C.

Prog Nucl Magn Reson Spectrosc. 2019 Oct - Dec;114-115:211-236. doi: 10.1016/j.pnmrs.2019.06.003. Epub 2019 Jun 22. Review.


Assessing Structural Preferences of Unstructured Protein Regions by NMR.

Carlon A, Gigli L, Ravera E, Parigi G, Gronenborn AM, Luchinat C.

Biophys J. 2019 Nov 19;117(10):1948-1953. doi: 10.1016/j.bpj.2019.10.008. Epub 2019 Oct 14.


NMR-Based Metabolomics for the Assessment of Inhaled Pharmacotherapy in Chronic Obstructive Pulmonary Disease Patients.

Vignoli A, Santini G, Tenori L, Macis G, Mores N, Macagno F, Pagano F, Higenbottam T, Luchinat C, Montuschi P.

J Proteome Res. 2020 Jan 3;19(1):64-74. doi: 10.1021/acs.jproteome.9b00345. Epub 2019 Nov 7.


Insights into telomeric G-quadruplex DNA recognition by HMGB1 protein.

Amato J, Cerofolini L, Brancaccio D, Giuntini S, Iaccarino N, Zizza P, Iachettini S, Biroccio A, Novellino E, Rosato A, Fragai M, Luchinat C, Randazzo A, Pagano B.

Nucleic Acids Res. 2019 Oct 10;47(18):9950-9966. doi: 10.1093/nar/gkz727.


Metabolomic analysis of serum may refine 21-gene expression assay risk recurrence stratification.

McCartney A, Vignoli A, Tenori L, Fornier M, Rossi L, Risi E, Luchinat C, Biganzoli L, Di Leo A.

NPJ Breast Cancer. 2019 Aug 29;5:26. doi: 10.1038/s41523-019-0123-9. eCollection 2019.


Fast and Quantitative NMR Metabolite Analysis Afforded by a Paramagnetic Co-Solute.

Mulder FAA, Tenori L, Luchinat C.

Angew Chem Int Ed Engl. 2019 Oct 21;58(43):15283-15286. doi: 10.1002/anie.201908006. Epub 2019 Sep 11.


What are the methodological and theoretical prospects for paramagnetic NMR in structural biology? A glimpse into the crystal ball.

Ravera E, Parigi G, Luchinat C.

J Magn Reson. 2019 Sep;306:173-179. doi: 10.1016/j.jmr.2019.07.027. Epub 2019 Jul 11.


Relaxivity of Gd-Based MRI Contrast Agents in Crosslinked Hyaluronic Acid as a Model for Tissues.

Fragai M, Ravera E, Tedoldi F, Luchinat C, Parigi G.

Chemphyschem. 2019 Sep 3;20(17):2204-2209. doi: 10.1002/cphc.201900587. Epub 2019 Jul 30.


How Do Nuclei Couple to the Magnetic Moment of a Paramagnetic Center? A New Theory at the Gauntlet of the Experiments.

Cerofolini L, Silva JM, Ravera E, Romanelli M, Geraldes CFGC, Macedo AL, Fragai M, Parigi G, Luchinat C.

J Phys Chem Lett. 2019 Jul 5;10(13):3610-3614. doi: 10.1021/acs.jpclett.9b01128. Epub 2019 Jun 15.


Structural characterization of a protein adsorbed on aluminum hydroxide adjuvant in vaccine formulation.

Cerofolini L, Giuntini S, Ravera E, Luchinat C, Berti F, Fragai M.

NPJ Vaccines. 2019 May 28;4:20. doi: 10.1038/s41541-019-0115-7. eCollection 2019.


Correction to: Joint X-ray/NMR structure refinement of multidomain/multisubunit systems.

Carlon A, Ravera E, Parigi G, Murshudov GN, Luchinat C.

J Biomol NMR. 2019 Jul;73(6-7):279. doi: 10.1007/s10858-019-00238-4.


Dissecting the Interactions between Human Serum Albumin and α-Synuclein: New Insights on the Factors Influencing α-Synuclein Aggregation in Biological Fluids.

Bellomo G, Bologna S, Cerofolini L, Paciotti S, Gatticchi L, Ravera E, Parnetti L, Fragai M, Luchinat C.

J Phys Chem B. 2019 May 23;123(20):4380-4386. doi: 10.1021/acs.jpcb.9b02381. Epub 2019 May 9.


NMR for sample quality assessment in metabolomics.

Ghini V, Quaglio D, Luchinat C, Turano P.

N Biotechnol. 2019 Sep 25;52:25-34. doi: 10.1016/j.nbt.2019.04.004. Epub 2019 Apr 22.


Pseudocontact shifts and paramagnetic susceptibility in semiempirical and quantum chemistry theories.

Parigi G, Benda L, Ravera E, Romanelli M, Luchinat C.

J Chem Phys. 2019 Apr 14;150(14):144101. doi: 10.1063/1.5037428.


Bimodal Fluorescence-Magnetic Resonance Contrast Agent for Apoptosis Imaging.

Li H, Parigi G, Luchinat C, Meade TJ.

J Am Chem Soc. 2019 Apr 17;141(15):6224-6233. doi: 10.1021/jacs.8b13376. Epub 2019 Apr 4.


The metabolic fingerprints of HCV and HBV infections studied by Nuclear Magnetic Resonance Spectroscopy.

Meoni G, Lorini S, Monti M, Madia F, Corti G, Luchinat C, Zignego AL, Tenori L, Gragnani L.

Sci Rep. 2019 Mar 11;9(1):4128. doi: 10.1038/s41598-019-40028-4.


Reviewing the Crystal Structure of S100Z and Other Members of the S100 Family: Implications in Calcium-Regulated Quaternary Structure.

Calderone V, Fragai M, Luchinat C.

Methods Mol Biol. 2019;1929:487-499. doi: 10.1007/978-1-4939-9030-6_30.


NMR-based metabolomics identifies patients at high risk of death within two years after acute myocardial infarction in the AMI-Florence II cohort.

Vignoli A, Tenori L, Giusti B, Takis PG, Valente S, Carrabba N, Balzi D, Barchielli A, Marchionni N, Gensini GF, Marcucci R, Luchinat C, Gori AM.

BMC Med. 2019 Jan 7;17(1):3. doi: 10.1186/s12916-018-1240-2.


Metabolic Signature of Primary Biliary Cholangitis and Its Comparison with Celiac Disease.

Vignoli A, Orlandini B, Tenori L, Biagini MR, Milani S, Renzi D, Luchinat C, Calabrò AS.

J Proteome Res. 2019 Mar 1;18(3):1228-1236. doi: 10.1021/acs.jproteome.8b00849. Epub 2019 Jan 10.


Metal centers in biomolecular solid-state NMR.

Malanho Silva J, Cerofolini L, Giuntini S, Calderone V, Geraldes CFGC, Macedo AL, Parigi G, Fragai M, Ravera E, Luchinat C.

J Struct Biol. 2019 Apr 1;206(1):99-109. doi: 10.1016/j.jsb.2018.11.013. Epub 2018 Nov 28.


Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects?

Silva JM, Giuntini S, Cerofolini L, Geraldes CFGC, Macedo AL, Ravera E, Fragai M, Luchinat C, Calderone V.

J Biol Inorg Chem. 2019 Feb;24(1):91-101. doi: 10.1007/s00775-018-1630-0. Epub 2018 Nov 23.


Characterization of PEGylated Asparaginase: New Opportunities from NMR Analysis of Large PEGylated Therapeutics.

Cerofolini L, Giuntini S, Carlon A, Ravera E, Calderone V, Fragai M, Parigi G, Luchinat C.

Chemistry. 2019 Feb 6;25(8):1984-1991. doi: 10.1002/chem.201804488. Epub 2019 Jan 9.


Erratum: Author Correction: Sarcolab pilot study into skeletal muscle's adaptation to longterm spaceflight.

Rittweger J, Albracht K, Flück M, Ruoss S, Brocca L, Longa E, Moriggi M, Seynnes O, Di Giulio I, Tenori L, Vignoli A, Capri M, Gelfi C, Luchinat C, Franceschi C, Bottinelli R, Cerretelli P, Narici M.

NPJ Microgravity. 2018 Oct 24;4:23. doi: 10.1038/s41526-018-0058-8. eCollection 2018.


Fingerprinting Acute Digestive Diseases by Untargeted NMR Based Metabolomics.

Takis PG, Taddei A, Pini R, Grifoni S, Tarantini F, Bechi P, Luchinat C.

Int J Mol Sci. 2018 Oct 23;19(11). pii: E3288. doi: 10.3390/ijms19113288.


Assessing protein conformational landscapes: integration of DEER data in Maximum Occurrence analysis.

Gigli L, Andrałojć W, Dalaloyan A, Parigi G, Ravera E, Goldfarb D, Luchinat C.

Phys Chem Chem Phys. 2018 Nov 7;20(43):27429-27438. doi: 10.1039/c8cp06195e.


In Memoriam: Seymour H. Koenig (1927-2018).

Caravan P, Luchinat C, Sherry AD.

Magn Reson Med. 2019 Feb;81(2):743-745. doi: 10.1002/mrm.27523. Epub 2018 Oct 22. No abstract available.


Dependence of apparent diffusion coefficient measurement on diffusion gradient direction and spatial position - A quality assurance intercomparison study of forty-four scanners for quantitative diffusion-weighted imaging.

Fedeli L, Belli G, Ciccarone A, Coniglio A, Esposito M, Giannelli M, Mazzoni LN, Nocetti L, Sghedoni R, Tarducci R, Altabella L, Belligotti E, Benelli M, Betti M, Caivano R, Carni' M, Chiappiniello A, Cimolai S, Cretti F, Fulcheri C, Gasperi C, Giacometti M, Levrero F, Lizio D, Maieron M, Marzi S, Mascaro L, Mazzocchi S, Meliado' G, Morzenti S, Noferini L, Oberhofer N, Quattrocchi MG, Ricci A, Taddeucci A, Tenori L, Luchinat C, Gobbi G, Gori C, Busoni S; Italian Association of Physics in Medicine (AIFM) Working Group on MR Intercomparison.

Phys Med. 2018 Nov;55:135-141. doi: 10.1016/j.ejmp.2018.09.007. Epub 2018 Oct 17.


Joint X-ray/NMR structure refinement of multidomain/multisubunit systems.

Carlon A, Ravera E, Parigi G, Murshudov GN, Luchinat C.

J Biomol NMR. 2019 Jul;73(6-7):265-278. doi: 10.1007/s10858-018-0212-3. Epub 2018 Oct 11. Erratum in: J Biomol NMR. 2019 May 8;:.


Protein Glycosylation through Sulfur Fluoride Exchange (SuFEx) Chemistry: The Key Role of a Fluorosulfate Thiolactoside.

Marra A, Dong J, Ma T, Giuntini S, Crescenzo E, Cerofolini L, Martinucci M, Luchinat C, Fragai M, Nativi C, Dondoni A.

Chemistry. 2018 Dec 17;24(71):18981-18987. doi: 10.1002/chem.201803912. Epub 2018 Nov 26.


Sarcolab pilot study into skeletal muscle's adaptation to long-term spaceflight.

Rittweger J, Albracht K, Flück M, Ruoss S, Brocca L, Longa E, Moriggi M, Seynnes O, Di Giulio I, Tenori L, Vignoli A, Capri M, Gelfi C, Luchinat C, Francheschi C, Bottinelli R, Cerretelli P, Narici M.

NPJ Microgravity. 2018 Sep 17;4:18. doi: 10.1038/s41526-018-0052-1. eCollection 2018. Erratum in: NPJ Microgravity. 2018 Oct 24;4:23.


Creation and Characterization of a Genomically Hybrid Strain in the Nitrogen-Fixing Symbiotic Bacterium Sinorhizobium meliloti.

Checcucci A, diCenzo GC, Ghini V, Bazzicalupo M, Becker A, Decorosi F, Döhlemann J, Fagorzi C, Finan TM, Fondi M, Luchinat C, Turano P, Vignolini T, Viti C, Mengoni A.

ACS Synth Biol. 2018 Oct 19;7(10):2365-2378. doi: 10.1021/acssynbio.8b00158. Epub 2018 Oct 3.


NMR metabolomic fingerprinting distinguishes milk from different farms.

Tenori L, Santucci C, Meoni G, Morrocchi V, Matteucci G, Luchinat C.

Food Res Int. 2018 Nov;113:131-139. doi: 10.1016/j.foodres.2018.06.066. Epub 2018 Jun 30.


Local and Global Dynamics in Intrinsically Disordered Synuclein.

Rezaei-Ghaleh N, Parigi G, Soranno A, Holla A, Becker S, Schuler B, Luchinat C, Zweckstetter M.

Angew Chem Int Ed Engl. 2018 Nov 12;57(46):15262-15266. doi: 10.1002/anie.201808172. Epub 2018 Oct 18.


High-Throughput Metabolomics by 1D NMR.

Vignoli A, Ghini V, Meoni G, Licari C, Takis PG, Tenori L, Turano P, Luchinat C.

Angew Chem Int Ed Engl. 2019 Jan 21;58(4):968-994. doi: 10.1002/anie.201804736. Epub 2018 Nov 11. Review.


Cancer cell death induced by ferritins and the peculiar role of their labile iron pool.

Cutrin JC, Alberti D, Bernacchioni C, Ciambellotti S, Turano P, Luchinat C, Crich SG, Aime S.

Oncotarget. 2018 Jun 15;9(46):27974-27984. doi: 10.18632/oncotarget.25416. eCollection 2018 Jun 15.


Paradoxically, Most Flexible Ligand Binds Most Entropy-Favored: Intriguing Impact of Ligand Flexibility and Solvation on Drug-Kinase Binding.

Wienen-Schmidt B, Jonker HRA, Wulsdorf T, Gerber HD, Saxena K, Kudlinzki D, Sreeramulu S, Parigi G, Luchinat C, Heine A, Schwalbe H, Klebe G.

J Med Chem. 2018 Jul 26;61(14):5922-5933. doi: 10.1021/acs.jmedchem.8b00105. Epub 2018 Jul 3.


Metabolomics in breast cancer: A decade in review.

McCartney A, Vignoli A, Biganzoli L, Love R, Tenori L, Luchinat C, Di Leo A.

Cancer Treat Rev. 2018 Jun;67:88-96. doi: 10.1016/j.ctrv.2018.04.012. Epub 2018 May 3. Review.


Simultaneous Targeting of RGD-Integrins and Dual Murine Double Minute Proteins in Glioblastoma Multiforme.

Merlino F, Daniele S, La Pietra V, Di Maro S, Di Leva FS, Brancaccio D, Tomassi S, Giuntini S, Cerofolini L, Fragai M, Luchinat C, Reichart F, Cavallini C, Costa B, Piccarducci R, Taliani S, Da Settimo F, Martini C, Kessler H, Novellino E, Marinelli L.

J Med Chem. 2018 Jun 14;61(11):4791-4809. doi: 10.1021/acs.jmedchem.8b00004. Epub 2018 Jun 4.


Aggregation kinetics of the Aβ1-40 peptide monitored by NMR.

Bellomo G, Bologna S, Gonnelli L, Ravera E, Fragai M, Lelli M, Luchinat C.

Chem Commun (Camb). 2018 Jul 14;54(55):7601-7604. doi: 10.1039/c8cc01710g. Epub 2018 May 16.


Investigation of Variations in the Human Urine Metabolome amongst European Populations: An Exploratory Search for Biomarkers of People at Risk-of-Poverty.

Trimigno A, Khakimov B, Savorani F, Tenori L, Hendrixson V, Čivilis A, Glibetic M, Gurinovic M, Pentikäinen S, Sallinen J, Garduno Diaz S, Pasqui F, Khokhar S, Luchinat C, Bordoni A, Capozzi F, Balling Engelsen S.

Mol Nutr Food Res. 2019 Jan;63(1):e1800216. doi: 10.1002/mnfr.201800216. Epub 2018 Jun 25.


Breathomics for Assessing the Effects of Treatment and Withdrawal With Inhaled Beclomethasone/Formoterol in Patients With COPD.

Montuschi P, Santini G, Mores N, Vignoli A, Macagno F, Shoreh R, Tenori L, Zini G, Fuso L, Mondino C, Di Natale C, D'Amico A, Luchinat C, Barnes PJ, Higenbottam T.

Front Pharmacol. 2018 Apr 17;9:258. doi: 10.3389/fphar.2018.00258. eCollection 2018.


Effect of Magnetic Coupling on Water Proton Relaxivity in a Series of Transition Metal GdIII Complexes.

Lilley LM, Du K, Krzyaniak MD, Parigi G, Luchinat C, Harris TD, Meade TJ.

Inorg Chem. 2018 May 21;57(10):5810-5819. doi: 10.1021/acs.inorgchem.8b00120. Epub 2018 May 1.


Engineering l-asparaginase for spontaneous formation of calcium phosphate bioinspired microreactors.

Louka A, Matlahov I, Giuntini S, Cerofolini L, Cavallo A, Pillozzi S, Ravera E, Fragai M, Arcangeli A, Ramamoorthy A, Goobes G, Luchinat C.

Phys Chem Chem Phys. 2018 May 9;20(18):12719-12726. doi: 10.1039/c8cp00419f.


Mechanism and Inhibition of Matrix Metalloproteinases.

Cerofolini L, Fragai M, Luchinat C.

Curr Med Chem. 2019;26(15):2609-2633. doi: 10.2174/0929867325666180326163523. Review.


HTS by NMR for the Identification of Potent and Selective Inhibitors of Metalloenzymes.

Baggio C, Cerofolini L, Fragai M, Luchinat C, Pellecchia M.

ACS Med Chem Lett. 2018 Jan 17;9(2):137-142. doi: 10.1021/acsmedchemlett.7b00483. eCollection 2018 Feb 8.


Plasma and urinary metabolomic profiles of Down syndrome correlate with alteration of mitochondrial metabolism.

Caracausi M, Ghini V, Locatelli C, Mericio M, Piovesan A, Antonaros F, Pelleri MC, Vitale L, Vacca RA, Bedetti F, Mimmi MC, Luchinat C, Turano P, Strippoli P, Cocchi G.

Sci Rep. 2018 Feb 14;8(1):2977. doi: 10.1038/s41598-018-20834-y.


Interfering with HuR-RNA Interaction: Design, Synthesis and Biological Characterization of Tanshinone Mimics as Novel, Effective HuR Inhibitors.

Manzoni L, Zucal C, Maio DD, D'Agostino VG, Thongon N, Bonomo I, Lal P, Miceli M, Baj V, Brambilla M, Cerofolini L, Elezgarai S, Biasini E, Luchinat C, Novellino E, Fragai M, Marinelli L, Provenzani A, Seneci P.

J Med Chem. 2018 Feb 22;61(4):1483-1498. doi: 10.1021/acs.jmedchem.7b01176. Epub 2018 Jan 31.


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