(WFRF:(Fantucci Piercarlo))
Sökning: (WFRF:(Fantucci Piercarlo)) > (2010) > Functionally Releva...
- 1 av 1
- Föregående post
- Nästa post
- Till träfflistan
| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 03206naa a2200373 4500 | |
| 001 | oai:lup.lub.lu.se:afd8b3c3-6907-425a-8bbc-fdc645f69963 | |
| 003 | SwePub | |
| 008 | 160401s2010 | |||||||||||000 ||eng| | |
| 024 | 7 | a https://lup.lub.lu.se/record/15817862 URI |
| 024 | 7 | a https://doi.org/10.1021/ja10087732 DOI |
| 040 | a (SwePub)lu | |
| 041 | a engb eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a art2 swepub-publicationtype |
| 072 | 7 | a ref2 swepub-contenttype |
| 100 | 1 | a Bruschi, Maurizio4 aut |
| 245 | 1 0 | a Functionally Relevant Interplay between the Fe(4)S(4) Cluster and CN(-) Ligands in the Active Site of [FeFe]-Hydrogenases. |
| 264 | c 2010-03-19 | |
| 264 | 1 | b American Chemical Society (ACS),c 2010 |
| 338 | a electronic2 rdacarrier | |
| 520 | a [FeFe]-hydrogenases are highly efficient H(2)-evolving metalloenzymes that include cyanides and carbonyls in the active site. The latter is an Fe(6)S(6) cluster (the so-called H-cluster) that can be subdivided into a binuclear portion carrying the CO and CN(-) groups and a tetranuclear subcluster. The fundamental role of cyanide ligands in increasing the basicity of the H-cluster has been highlighted previously. Here a more subtle but crucial role played by the two CN(-) ligands in the active site of [FeFe]-hydrogenases is disclosed. In fact, QM/MM calculations on all-atom models of the enzyme from Desulfovibrio desulfuricans show that the cyanide groups fine-tune the electronic and redox properties of the active site, affecting both the protonation regiochemistry and electron transfer between the two subclusters of the H-cluster. Despite the crucial role of cyanides in the protein active site, the currently available bioinspired electrocatalysts generally lack CN(-) groups in order to avoid competition between the latter and the catalytic metal centers for proton binding. In this respect, we show that a targeted inclusion of phosphine ligands in hexanuclear biomimetic clusters may restore the electronic and redox features of the wild-type H-cluster. | |
| 650 | 7 | a NATURVETENSKAPx Kemix Teoretisk kemi0 (SwePub)104072 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Chemical Sciencesx Theoretical Chemistry0 (SwePub)104072 hsv//eng |
| 700 | 1 | a Greco, Claudio4 aut |
| 700 | 1 | a Bertini, Luca4 aut |
| 700 | 1 | a Fantucci, Piercarlo4 aut |
| 700 | 1 | a Ryde, Ulfu Lund University,Lunds universitet,Beräkningskemi,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Computational Chemistry,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH4 aut0 (Swepub:lu)teok-ury |
| 700 | 1 | a Gioia, Luca De4 aut |
| 710 | 2 | a Beräkningskemib Enheten för fysikalisk och teoretisk kemi4 org |
| 773 | 0 | t Journal of the American Chemical Societyd : American Chemical Society (ACS)g 132:14, s. 4992-4992q 132:14<4992-4992x 1520-5126x 0002-7863 |
| 856 | 4 | u https://portal.research.lu.se/files/136743360/138_feh2ase_cn_jacs.pdfx primaryx freey FULLTEXT |
| 856 | 4 | u http://dx.doi.org/10.1021/ja1008773y FULLTEXT |
| 856 | 4 8 | u https://lup.lub.lu.se/record/1581786 |
| 856 | 4 8 | u https://doi.org/10.1021/ja1008773 |
Hitta via bibliotek
- Journal of the American Chemical Society (Sök värdpublikationen i LIBRIS)
Till lärosätets databas
- 1 av 1
- Föregående post
- Nästa post
- Till träfflistan
Hitta mer i SwePub
- Av författaren/redakt...
- Bruschi, Maurizi ...
- Greco, Claudio
- Bertini, Luca
- Fantucci, Pierca ...
- Ryde, Ulf
- Gioia, Luca De
- Om ämnet
-
- NATURVETENSKAP
- NATURVETENSKAP
- och Kemi
- och Teoretisk kemi
- Artiklar i publikationen
- Journal of the A ...
- Av lärosätet
- Lunds universitet
Sök utanför SwePub
- Sök vidare i:
- Google Book Search
- Google Scholar
Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.
- Copyright © LIBRIS - Nationella bibliotekssystem
- LIBRIS.kb.se
