Binuclear μ-Perchlorato Complexes of Alkaline Earth Metal Ions Studied by Electrospray Ionization Mass Spectrometry and DFT Calculations

2006 ◽  
Vol 35 (10) ◽  
pp. 1118-1119
Author(s):  
Ryo Kanzaki ◽  
Yasuhiro Umebayashi ◽  
Mitsunori Asada ◽  
Shin-ichi Ishiguro ◽  
Taisuke Matsumoto ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Dft Calculations ◽  
Metal Ions ◽  
Electrospray Ionization ◽  
Electrospray Ionization Mass Spectrometry ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Ionization Mass ◽  
Alkaline Earth Metal Ions

Nuclear magnetic resonance and mass spectrometry studies of 2′,3′,5′-O-triacetylguanosine self-assembly in the presence of alkaline earth metal ions (Ca2+, Sr2+, Ba2+)

2011 ◽  
Vol 89 (7) ◽  
pp. 835-844 ◽  
Author(s):  
Irene C.M. Kwan ◽  
Yi-Min She ◽  
Gang Wu
Keyword(s):  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Metal Ions ◽  
Self Assembly ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Alkaline Earth Metal Ions ◽  
Nuclear Magnetic

We report structural determination of cation-templated self-assembly of a guanosine derivative, 2′,3′,5′-O-triacetylguanosine (TAG), in the presence of three alkaline earth metal ions (Ca2+, Sr2+, and Ba2+) in CDCl3. Using a combination of nuclear magnetic resonance (NMR) and electrospray ionization mass spectrometry (ESI-MS) methods, we have found that TAG molecules form discrete octamers in the form of [TAG]8M2+ (M2+ = Ca2+, Sr2+, and Ba2+), which is composed of two G-quartets and a sandwiched metal ion. We have determined the ability of the three alkaline earth metal ions to promote TAG self-assembly (relative binding affinity) to be Sr2+ ≫ Ba2+ > Ca2+. More importantly, we have used two-dimensional (2D) NMR methods to determine the structural details of [TAG]8Sr2+. In particular, we found that each octamer consists of an all-anti G-quartet stacking on top of an all-syn G-quartet in a tail-to-head fashion with a twist angle of 45° between the two G-quartets. This TAG octamer structure represents a unique case quite different from other lipophilic guanosine octamers reported in the literature.

scholarly journals Investigation of alkali and alkaline earth solvation structures in tetraglyme solvent

2021 ◽  
Author(s):  
L. H. B. Nguyen ◽  
T. Picard ◽  
N. Sergent ◽  
C. Raynaud ◽  
J.-S. Filhol ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Dft Calculations ◽  
Metal Ions ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Alkaline Earth Metal Ions

Solvation structures of alkali and alkaline earth metal ions in tetraglyme solvent were investigated by DFT calculations and IR spectroscopy.

Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α′,δ,δ′-Tetramethylcucurbit[6]uril

2011 ◽  
Vol 50 (15) ◽  
pp. 6956-6964 ◽  
Author(s):  
Wen-Jian Chen ◽  
Da-Hai Yu ◽  
Xin Xiao ◽  
Yun-Qian Zhang ◽  
Qian-Jiang Zhu ◽  
...  
Keyword(s):  
Metal Ions ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Alkaline Earth Metal Ions
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