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Items: 1 to 50 of 386

1.

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 Jun 15:3610-3614. doi: 10.1021/acs.jpclett.9b01128. [Epub ahead of print]

PMID:
31181162
2.

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.

3.

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 May 8. doi: 10.1007/s10858-019-00238-4. [Epub ahead of print]

PMID:
31069606
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.

PMID:
31034772
5.

NMR for sample quality assessment in metabolomics.

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

N Biotechnol. 2019 Apr 22;52:25-34. doi: 10.1016/j.nbt.2019.04.004. [Epub ahead of print]

6.

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.

PMID:
30981251
7.

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.

PMID:
30919628
8.

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.

9.

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.

PMID:
30710292
10.

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.

11.

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.

PMID:
30539636
12.

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.

PMID:
30502494
13.

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.

PMID:
30470900
14.

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.

PMID:
30462348
15.

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.

16.

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.

17.

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.

PMID:
30357188
18.

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.

PMID:
30346048
19.

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.

PMID:
30342982
20.

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

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

J Biomol NMR. 2018 Oct 11. doi: 10.1007/s10858-018-0212-3. [Epub ahead of print] Erratum in: J Biomol NMR. 2019 May 8;:.

PMID:
30311122
21.

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.

PMID:
30252969
22.

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.

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.

PMID:
30223644
24.

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.

PMID:
30195505
25.

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.

PMID:
30184304
26.

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.

27.

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.

28.

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.

PMID:
29909615
29.

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.

PMID:
29775779
30.

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.

PMID:
29775303
31.

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.

PMID:
29767190
32.

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.

PMID:
29757492
33.

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.

34.

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.

35.

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.

PMID:
29697113
36.

Mechanism and Inhibition of Matrix Metalloproteinases.

Cerofolini L, Fragai M, Luchinat C.

Curr Med Chem. 2018 Mar 26. doi: 10.2174/0929867325666180326163523. [Epub ahead of print]

PMID:
29589527
37.

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.

38.

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.

39.

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.

PMID:
29313684
40.

Atomic structural details of a protein grafted onto gold nanoparticles.

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

Sci Rep. 2017 Dec 20;7(1):17934. doi: 10.1038/s41598-017-18109-z.

41.

Long-range paramagnetic NMR data can provide a closer look on metal coordination in metalloproteins.

Cerofolini L, Staderini T, Giuntini S, Ravera E, Fragai M, Parigi G, Pierattelli R, Luchinat C.

J Biol Inorg Chem. 2018 Jan;23(1):71-80. doi: 10.1007/s00775-017-1511-y. Epub 2017 Dec 7.

PMID:
29218635
42.

1H NMR Spectroscopy of [FeFe] Hydrogenase: Insight into the Electronic Structure of the Active Site.

Rumpel S, Ravera E, Sommer C, Reijerse E, Farès C, Luchinat C, Lubitz W.

J Am Chem Soc. 2018 Jan 10;140(1):131-134. doi: 10.1021/jacs.7b11196. Epub 2017 Dec 14.

43.

Methyl group assignment using pseudocontact shifts with PARAssign.

Lescanne M, Skinner SP, Blok A, Timmer M, Cerofolini L, Fragai M, Luchinat C, Ubbink M.

J Biomol NMR. 2017 Dec;69(4):183-195. doi: 10.1007/s10858-017-0136-3. Epub 2017 Nov 27.

44.

Deconvoluting interrelationships between concentrations and chemical shifts in urine provides a powerful analysis tool.

Takis PG, Schäfer H, Spraul M, Luchinat C.

Nat Commun. 2017 Nov 21;8(1):1662. doi: 10.1038/s41467-017-01587-0.

45.

Nicolaas Bloembergen: a pioneer in magnetic resonance and in maser and laser physics.

Kaptein R, Boelens R, Luchinat C.

J Biomol NMR. 2017 Nov;69(3):181-182. doi: 10.1007/s10858-017-0143-4. No abstract available.

PMID:
29134388
46.

Age and Sex Effects on Plasma Metabolite Association Networks in Healthy Subjects.

Vignoli A, Tenori L, Luchinat C, Saccenti E.

J Proteome Res. 2018 Jan 5;17(1):97-107. doi: 10.1021/acs.jproteome.7b00404. Epub 2017 Nov 21.

PMID:
29090929
47.

nmrML: A Community Supported Open Data Standard for the Description, Storage, and Exchange of NMR Data.

Schober D, Jacob D, Wilson M, Cruz JA, Marcu A, Grant JR, Moing A, Deborde C, de Figueiredo LF, Haug K, Rocca-Serra P, Easton J, Ebbels TMD, Hao J, Ludwig C, Günther UL, Rosato A, Klein MS, Lewis IA, Luchinat C, Jones AR, Grauslys A, Larralde M, Yokochi M, Kobayashi N, Porzel A, Griffin JL, Viant MR, Wishart DS, Steinbeck C, Salek RM, Neumann S.

Anal Chem. 2018 Jan 2;90(1):649-656. doi: 10.1021/acs.analchem.7b02795. Epub 2017 Dec 14.

48.

Characterization of the Conjugation Pattern in Large Polysaccharide-Protein Conjugates by NMR Spectroscopy.

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

Angew Chem Int Ed Engl. 2017 Nov 20;56(47):14997-15001. doi: 10.1002/anie.201709274. Epub 2017 Oct 19.

49.

Enriching the biological space of natural products and charting drug metabolites, through real time biotransformation monitoring: The NMR tube bioreactor.

Chatzikonstantinou AV, Chatziathanasiadou MV, Ravera E, Fragai M, Parigi G, Gerothanassis IP, Luchinat C, Stamatis H, Tzakos AG.

Biochim Biophys Acta Gen Subj. 2018 Jan;1862(1):1-8. doi: 10.1016/j.bbagen.2017.09.021. Epub 2017 Sep 30.

PMID:
28974426
50.

Regulation of HuR structure and function by dihydrotanshinone-I.

Lal P, Cerofolini L, D'Agostino VG, Zucal C, Fuccio C, Bonomo I, Dassi E, Giuntini S, Di Maio D, Vishwakarma V, Preet R, Williams SN, Fairlamb MS, Munk R, Lehrmann E, Abdelmohsen K, Elezgarai SR, Luchinat C, Novellino E, Quattrone A, Biasini E, Manzoni L, Gorospe M, Dixon DA, Seneci P, Marinelli L, Fragai M, Provenzani A.

Nucleic Acids Res. 2017 Sep 19;45(16):9514-9527. doi: 10.1093/nar/gkx623.

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