ALBERT

All Library Books, journals and Electronic Records Telegrafenberg

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    Electronic Resource
    Electronic Resource
    Interplay between Molecular Recognition and Redox Properties: A Theoretical Study of the Inclusion Complexation of β-Cyclodextrin with Phenothiazine and its Radical Cation (2000)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 38 (2000), S. 199-206 
    Details
    ISSN: 1573-1111
    Keywords: cyclodextrin ; inclusion ; phenothiazine ; radical cation ; theoretical study
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The PM3 molecular orbital method was employed in the conformational analysis of the inclusion complexation of β-cyclodextrin with phenothiazine and its radical cation from a complete and unrestricted geometry optimization. Ab initio calculations at the level of HF/3-21G(d) and B3LYP/3-21G(d) were utilized to determine the electronic structures of the host, guest and their complexes. The results indicated that the complexation of β-cyclodextrin with the phenothiazineradical cation was significantly more favorable than that with the neutral one, in good agreement with the experimental observation. The charge-transfer interaction was proposed as a physical reason for such behavior. It is suggested that caution should be given when extrapolating one oxidation state behavior to the supramolecular systems in their other oxidation states.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1008106831450
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    A hydrogen-atom abstraction model for the function of YZ in photosynthetic oxygen evolution (1995)
    Springer
    Photosynthesis research 46 (1995), S. 177-184 
    Details
    ISSN: 1573-5079
    Keywords: electron paramagnetic resonance ; managanese cluster ; oxygen evolution ; oxygen evolving complex ; Photosystem II ; proton transfer ; tyrosine radical ; water oxidation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Recent magnetic-resonance work on YŻ suggests that this species exhibits considerable motional flexibility in its functional site and that its phenol oxygen is not involved in a well-ordered hydrogen-bond interaction (Tang et al., submitted; Tommos et al., in press). Both of these observations are inconsistent with a simple electron-transfer function for this radical in photosynthetic water oxidation. By considering the roles of catalytically active amino acid radicals in other enzymes and recent data on the water-oxidation process in Photosystem II, we rationalize these observations by suggesting that YŻ functions to abstract hydrogen atoms from aquo- and hydroxy-bound managanese ions in the (Mn)4 cluster on each S-state transition. The hydrogen-atom abstraction process may occur either by sequential or concerted kinetic pathways. Within this model, the (Mn)4/YZ center forms a single catalytic center that comprises the Oxygen Evolving Complex in Photosystem II.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00020428
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...