BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

333 related articles for article (PubMed ID: 12870970)

  • 1. 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
    Inorg Chem; 2003 Jul; 42(15):4773-81. PubMed ID: 12870970
    [TBL] [Abstract][Full Text] [Related]  

  • 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
    Inorg Chem; 2002 Mar; 41(6):1421-9. PubMed ID: 11896710
    [TBL] [Abstract][Full Text] [Related]  

  • 3. The active site of the [FeFe]-hydrogenase from Desulfovibrio desulfuricans. II. Redox properties, light sensitivity and CO-ligand exchange as observed by infrared spectroscopy.
    Roseboom W; De Lacey AL; Fernandez VM; Hatchikian EC; Albracht SP
    J Biol Inorg Chem; 2006 Jan; 11(1):102-18. PubMed ID: 16323019
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Combined spectroscopic/computational study of binuclear Fe(I)-Fe(I) complexes: implications for the fully-reduced active-site cluster of Fe-only hydrogenases.
    Fiedler AT; Brunold TC
    Inorg Chem; 2005 Mar; 44(6):1794-809. PubMed ID: 15762706
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Catalysis of H(2)/D(2) scrambling and other H/D exchange processes by [Fe]-hydrogenase model complexes.
    Zhao X; Georgakaki IP; Miller ML; Mejia-Rodriguez R; Chiang CY; Darensbourg MY
    Inorg Chem; 2002 Jul; 41(15):3917-28. PubMed ID: 12132916
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Enzymatic mechanism of Fe-only hydrogenase: density functional study on H-H making/breaking at the diiron cluster with concerted proton and electron transfers.
    Zhou T; Mo Y; Liu A; Zhou Z; Tsai KR
    Inorg Chem; 2004 Feb; 43(3):923-30. PubMed ID: 14753812
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Modeling the active sites in metalloenzymes. 3. Density functional calculations on models for [Fe]-hydrogenase: structures and vibrational frequencies of the observed redox forms and the reaction mechanism at the Diiron Active Center.
    Cao Z; Hall MB
    J Am Chem Soc; 2001 Apr; 123(16):3734-42. PubMed ID: 11457105
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Requirements for functional models of the iron hydrogenase active site: D2/H2O exchange activity in ((mu-SMe)(mu-pdt)[Fe(CO)2(PMe3)]2+)[BF4-].
    Georgakaki IP; Miller ML; Darensbourg MY
    Inorg Chem; 2003 Apr; 42(8):2489-94. PubMed ID: 12691553
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Series of mixed valent Fe(II)Fe(I) complexes that model the Hox state of [FeFe]hydrogenase: redox properties, density-functional theory investigation, and reactivities with extrinsic CO.
    Thomas CM; Liu T; Hall MB; Darensbourg MY
    Inorg Chem; 2008 Aug; 47(15):7009-24. PubMed ID: 18597449
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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
    Inorg Chem; 2004 Jun; 43(12):3733-41. PubMed ID: 15180430
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A density functional theory study on the active center of Fe-only hydrogenase: characterization and electronic structure of the redox states.
    Liu ZP; Hu P
    J Am Chem Soc; 2002 May; 124(18):5175-82. PubMed ID: 11982382
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Time-resolved vibrational spectroscopy of [FeFe]-hydrogenase model compounds.
    Bingaman JL; Kohnhorst CL; Van Meter GA; McElroy BA; Rakowski EA; Caplins BW; Gutowski TA; Stromberg CJ; Webster CE; Heilweil EJ
    J Phys Chem A; 2012 Jul; 116(27):7261-71. PubMed ID: 22612846
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The electronic structure of the H-cluster in the [FeFe]-hydrogenase from Desulfovibrio desulfuricans: a Q-band 57Fe-ENDOR and HYSCORE study.
    Silakov A; Reijerse EJ; Albracht SP; Hatchikian EC; Lubitz W
    J Am Chem Soc; 2007 Sep; 129(37):11447-58. PubMed ID: 17722921
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases.
    Greco C; Bruschi M; De Gioia L; Ryde U
    Inorg Chem; 2007 Jul; 46(15):5911-21. PubMed ID: 17602468
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Models of the iron-only hydrogenase: a comparison of chelate and bridge isomers of Fe2(CO)4{Ph2PN(R)PPh2}(μ-pdt) as proton-reduction catalysts.
    Ghosh S; Hogarth G; Hollingsworth N; Holt KB; Richards I; Richmond MG; Sanchez BE; Unwin D
    Dalton Trans; 2013 May; 42(19):6775-92. PubMed ID: 23503781
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Mechanism of H2 production by the [FeFe]H subcluster of di-iron hydrogenases: implications for abiotic catalysts.
    Sbraccia C; Zipoli F; Car R; Cohen MH; Dismukes GC; Selloni A
    J Phys Chem B; 2008 Oct; 112(42):13381-90. PubMed ID: 18826265
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ligand versus metal protonation of an iron hydrogenase active site mimic.
    Eilers G; Schwartz L; Stein M; Zampella G; de Gioia L; Ott S; Lomoth R
    Chemistry; 2007; 13(25):7075-84. PubMed ID: 17566128
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation.
    Bruschi M; Greco C; Fantucci P; De Gioia L
    Inorg Chem; 2008 Jul; 47(13):6056-71. PubMed ID: 18540595
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Di/mono-nuclear iron(I)/(II) complexes as functional models for the 2Fe2S subunit and distal Fe moiety of the active site of [FeFe] hydrogenases: protonations, molecular structures and electrochemical properties.
    Gao S; Fan J; Sun S; Song F; Peng X; Duan Q; Jiang D; Liang Q
    Dalton Trans; 2012 Oct; 41(39):12064-74. PubMed ID: 22911248
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Bridging-hydride influence on the electronic structure of an [FeFe] hydrogenase active-site model complex revealed by XAES-DFT.
    Leidel N; Hsieh CH; Chernev P; Sigfridsson KG; Darensbourg MY; Haumann M
    Dalton Trans; 2013 Jun; 42(21):7539-54. PubMed ID: 23446996
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 17.