De Gioia L - Search Results

1

First-Principles Calculations on Ni,Fe-Containing Carbon Monoxide Dehydrogenases Reveal Key Stereoelectronic Features for Binding and Release of CO₂ to/from the C-Cluster.

Breglia R, Arrigoni F, Sensi M, Greco C, Fantucci P, De Gioia L, Bruschi M. Breglia R, et al. Among authors: de gioia l. Inorg Chem. 2021 Jan 4;60(1):387-402. doi: 10.1021/acs.inorgchem.0c03034. Epub 2020 Dec 15. Inorg Chem. 2021. PMID: 33321036 Free PMC article.

2

Catechol(amine)s as probes of lactoperoxidase catalytic site structure: spectroscopic and modeling studies.

Ferrari RP, Traversa S, De Gioia L, Fantucci P, Suriano G, Ghibaudi EM. Ferrari RP, et al. Among authors: de gioia l. J Biol Inorg Chem. 1999 Feb;4(1):12-20. doi: 10.1007/s007750050284. J Biol Inorg Chem. 1999. PMID: 10499098

3

Axial Imidazole Distortion Effects on the Catalytic and Binding Properties of Chelated Deuterohemin Complexes.

Casella L, Monzani E, Fantucci P, Gullotti M, De Gioia L, Strini A, Chillemi F. Casella L, et al. Among authors: de gioia l. Inorg Chem. 1996 Jan 17;35(2):439-444. doi: 10.1021/ic950148x. Inorg Chem. 1996. PMID: 11666226

4

DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe](H) subcluster of Fe-only hydrogenases.

Bruschi M, Fantucci P, De Gioia L. Bruschi M, et al. Among authors: de gioia l. Inorg Chem. 2002 Mar 25;41(6):1421-9. doi: 10.1021/ic010770r. Inorg Chem. 2002. PMID: 11896710

5

The cold-active lipase of Pseudomonas fragi. Heterologous expression, biochemical characterization and molecular modeling.

Alquati C, De Gioia L, Santarossa G, Alberghina L, Fantucci P, Lotti M. Alquati C, et al. Among authors: de gioia l. Eur J Biochem. 2002 Jul;269(13):3321-8. doi: 10.1046/j.1432-1033.2002.03012.x. Eur J Biochem. 2002. PMID: 12084074 Free article.

6

Density functional theory investigation of the active site of [Fe]-hydrogenases: effects of redox state and ligand characteristics on structural, electronic, and reactivity properties of complexes related to the [2Fe]H subcluster.

Bruschi M, Fantucci P, De Gioia L. Bruschi M, et al. Among authors: de gioia l. Inorg Chem. 2003 Jul 28;42(15):4773-81. doi: 10.1021/ic0262132. Inorg Chem. 2003. PMID: 12870970

7

Probing the location of the substrate binding site of ascorbate oxidase near type 1 copper: an investigation through spectroscopic, inhibition and docking studies.

Santagostini L, Gullotti M, De Gioia L, Fantucci P, Franzini E, Marchesini A, Monzani E, Casella L. Santagostini L, et al. Among authors: de gioia l. Int J Biochem Cell Biol. 2004 May;36(5):881-92. doi: 10.1016/j.biocel.2003.10.003. Int J Biochem Cell Biol. 2004. PMID: 15006640 Free article.

8

Density functional theory investigation of the active site of Fe-hydrogenases. systematic study of the effects of redox state and ligands hardness on structural and electronic properties of complexes related to the [2Fe](H) subcluster.

Bruschi M, Fantucci P, De Gioia L. Bruschi M, et al. Among authors: de gioia l. Inorg Chem. 2004 Jun 14;43(12):3733-41. doi: 10.1021/ic035326y. Inorg Chem. 2004. PMID: 15180430

9

A theoretical study of spin states in Ni-S4 complexes and models of the [NiFe] hydrogenase active site.

Bruschi M, De Gioia L, Zampella G, Reiher M, Fantucci P, Stein M. Bruschi M, et al. Among authors: de gioia l. J Biol Inorg Chem. 2004 Oct;9(7):873-84. doi: 10.1007/s00775-004-0588-2. Epub 2004 Sep 9. J Biol Inorg Chem. 2004. PMID: 15365900

10

Dissecting the intimate mechanism of cyanation of {2Fe3S} complexes related to the active site of all-iron hydrogenases by DFT analysis of energetics, transition states, intermediates and products in the carbonyl substitution pathway.

Zampella G, Bruschi M, Fantucci P, Razavet M, Pickett CJ, De Gioia L. Zampella G, et al. Among authors: de gioia l. Chemistry. 2005 Jan 7;11(2):509-20. doi: 10.1002/chem.200400442. Chemistry. 2005. PMID: 15578644

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