De Gioia L - Search Results

1

H₂ Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry.

Arrigoni F, Bertini L, Bruschi M, Greco C, De Gioia L, Zampella G. Arrigoni F, et al. Among authors: de gioia l. Chemistry. 2019 Jan 24;25(5):1227-1241. doi: 10.1002/chem.201804687. Epub 2019 Jan 2. Chemistry. 2019. PMID: 30475417

2

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

3

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

4

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

5

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

6

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

7

Reactivity of peroxo forms of the vanadium haloperoxidase cofactor. A DFT investigation.

Zampella G, Fantucci P, Pecoraro VL, De Gioia L. Zampella G, et al. Among authors: de gioia l. J Am Chem Soc. 2005 Jan 26;127(3):953-60. doi: 10.1021/ja046016x. J Am Chem Soc. 2005. PMID: 15656634

8

Synthesis of the H-cluster framework of iron-only hydrogenase.

Tard C, Liu X, Ibrahim SK, Bruschi M, De Gioia L, Davies SC, Yang X, Wang LS, Sawers G, Pickett CJ. Tard C, et al. Among authors: de gioia l. Nature. 2005 Feb 10;433(7026):610-3. doi: 10.1038/nature03298. Nature. 2005. PMID: 15703741

9

Diferrous cyanides as models for the Fe-only hydrogenases.

Boyke CA, van der Vlugt JI, Rauchfuss TB, Wilson SR, Zampella G, De Gioia L. Boyke CA, et al. Among authors: de gioia l. J Am Chem Soc. 2005 Aug 10;127(31):11010-8. doi: 10.1021/ja051584d. J Am Chem Soc. 2005. PMID: 16076208

10

DFT Investigation of H2 activation by [M(NHPnPr3)('S3')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional models.

Zampella G, Bruschi M, Fantucci P, De Gioia L. Zampella G, et al. Among authors: de gioia l. J Am Chem Soc. 2005 Sep 28;127(38):13180-9. doi: 10.1021/ja0508424. J Am Chem Soc. 2005. PMID: 16173745

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