Conformational changes of an oxovanadium complex probed by ENDOR spectroscopy and DFT calculations

2002 ◽  
Vol 4 (20) ◽  
pp. 4937-4943 ◽  
Author(s):  
Damien M. Murphy ◽  
Ian A. Fallis ◽  
Robert D. Farley ◽  
Richard J. Tucker ◽  
Karen L. Avery ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Conformational Changes ◽  
Oxovanadium Complex ◽  
Endor Spectroscopy

scholarly journals LAPONITE®-pilocarpine hybrid material: experimental and theoretical evaluation of pilocarpine conformation

RSC Advances ◽  
2017 ◽  
Vol 7 (44) ◽  
pp. 27290-27298 ◽  
Author(s):  
Vanessa R. R. Cunha ◽  
Filipe C. D. A. Lima ◽  
Vanessa Y. Sakai ◽  
Leiz M. C. Véras ◽  
José R. S. A. Leite ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Conformational Changes ◽  
Hybrid Material ◽  
Theoretical Evaluation

DFT calculations were applied to evaluate conformational changes of protonated pilocarpine after immobilization into LAPONITE®.

The Process of Mn(II) Incorporation into Aluminophosphate Zeotypes through High-Field ENDOR Spectroscopy and DFT Calculations

2002 ◽  
Vol 106 (35) ◽  
pp. 9086-9097 ◽  
Author(s):  
D. Arieli ◽  
A. Delabie ◽  
M. Groothaert ◽  
K. Pierloot ◽  
D. Goldfarb
Keyword(s):  
Dft Calculations ◽  
High Field ◽  
Endor Spectroscopy

scholarly journals ENDOR Spectroscopy and DFT Calculations: Evidence for the Hydrogen-Bond Network Within α2 in the PCET of E. coli Ribonucleotide Reductase

2012 ◽  
Vol 134 (42) ◽  
pp. 17661-17670 ◽  
Author(s):  
Tomislav Argirević ◽  
Christoph Riplinger ◽  
JoAnne Stubbe ◽  
Frank Neese ◽  
Marina Bennati
Keyword(s):  
Hydrogen Bond ◽  
Dft Calculations ◽  
Ribonucleotide Reductase ◽  
Hydrogen Bond Network ◽  
E Coli ◽  
Endor Spectroscopy ◽  
Bond Network

Development of a multifunctional biomimicking l-cysteine based oxovanadium(iv) complex: synthesis, DFT calculations, bromo-peroxidation and nuclease activity

RSC Advances ◽  
2015 ◽  
Vol 5 (114) ◽  
pp. 94462-94473 ◽  
Author(s):  
Urmila Saha ◽  
Kalyan K. Mukherjea
Keyword(s):  
Schiff Base ◽  
Dft Calculations ◽  
Nuclease Activity ◽  
Spectroscopic Studies ◽  
Esi Ms ◽  
Oxovanadium Complex

An oxovanadium complex [VO(sal-l-cys)(phen)] (sal-l-cys = Schiff base derived from salicylaldehyde and l-cysteine; phen = 1,10-phenanthroline) has been synthesized and characterized by spectroscopic studies (IR, UV-vis, ESI-MS and EPR studies).

Comparing the Electronic Properties of the Low-Spin Cyano−Ferric [Fe(N4)(Cys)] Active Sites of Superoxide Reductase and P450cam Using ENDOR Spectroscopy and DFT Calculations

2006 ◽  
Vol 128 (51) ◽  
pp. 16566-16578 ◽  
Author(s):  
Tran-Chin Yang ◽  
Rebecca L. McNaughton ◽  
Michael D. Clay ◽  
Francis E. Jenney, ◽  
Rangan Krishnan ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Electronic Properties ◽  
Active Sites ◽  
Superoxide Reductase ◽  
Endor Spectroscopy

Discrimination of Geometrical Epoxide Isomers by ENDOR Spectroscopy and DFT Calculations: The Role of Hydrogen Bonds

2008 ◽  
Vol 47 (8) ◽  
pp. 1414-1416 ◽  
Author(s):  
Damien M. Murphy ◽  
Ian A. Fallis ◽  
David J. Willock ◽  
James Landon ◽  
Emma Carter ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dft Calculations ◽  
Endor Spectroscopy

Discrimination of Geometrical Epoxide Isomers by ENDOR Spectroscopy and DFT Calculations: The Role of Hydrogen Bonds

2008 ◽  
Vol 120 (8) ◽  
pp. 1436-1438
Author(s):  
Damien M. Murphy ◽  
Ian A. Fallis ◽  
David J. Willock ◽  
James Landon ◽  
Emma Carter ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dft Calculations ◽  
Endor Spectroscopy

Influence of Calcium Ions on the Plant Cell Surface: Membrane Fusions and Conformational Changes

1974 ◽  
Vol 32 ◽  
pp. 154-155
Author(s):  
D. James Morré ◽  
Charles E. Bracker ◽  
William J. VanDerWoude
Keyword(s):  
Cell Wall ◽  
Cell Surface ◽  
Conformational Changes ◽  
Calcium Ions ◽  
Surface Membrane ◽  
Carboxyl Groups ◽  
Cross Linking ◽  
Ultrastructural Evidence ◽  
Glycine Max L ◽  
Wall Extensibility

Calcium ions in the concentration range 5-100 mM inhibit auxin-induced cell elongation and wall extensibility of plant stems. Inhibition of wall extensibility requires that the tissue be living; growth inhibition cannot be explained on the basis of cross-linking of carboxyl groups of cell wall uronides by calcium ions. In this study, ultrastructural evidence was sought for an interaction of calcium ions with some component other than the wall at the cell surface of soybean (Glycine max (L.) Merr.) hypocotyls.

Sign in / Sign up

Export Citation Format

Share Document