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Energy Minimization Calculations on the Alkali Metal Cation Complexes of Valinomycin

✍ Scribed by JOSEPH N. KUSHICK; REMO A. MASUT


Book ID
118723403
Publisher
John Wiley and Sons
Year
1986
Tongue
English
Weight
43 KB
Volume
482
Category
Article
ISSN
0890-6564

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Reactions of laser-desorbed Na(+), K(+), Rb(+), and Cs(+) with thermally vaporized valinomycin generate metal-ligand complexes in a Fourier transform ion cyclotron resonance trapping cell, proving that complexes can form via gas-phase ion-molecule reactions. Although desorption of intact pre-formed

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We have used energy minimization calculations to study a number of conformations of uncomplexed valinomycin. In certain cases, x-ray diffraction atomic coordinates were used directly as input coordinates, while in other cases, conformations were found by altering the x-ray coordinates prior to minim