Quantifying non-covalent binding affinity using mass spectrometry: A systematic study on complexes of cyclodextrins with alkali metal cations

2015 ◽  
Vol 29 (10) ◽  
pp. 927-936 ◽  
Author(s):  
Wanghui Wei ◽  
Yanqiu Chu ◽  
Rizhi Wang ◽  
Xiaodan He ◽  
Chuanfan Ding
Keyword(s):  
Mass Spectrometry ◽  
Alkali Metal ◽  
Binding Affinity ◽  
Systematic Study ◽  
Covalent Binding ◽  
Metal Cations ◽  
Alkali Metal Cations

Mass Spectrometric Behaviour of Carboxylated Polyethylene Glycols and Carboxylated Octylphenol Ethoxylates

2003 ◽  
Vol 9 (3) ◽  
pp. 165-173 ◽  
Author(s):  
Magdalena Frańska ◽  
Agnieszka Zgoła ◽  
Joanna Rychłowska ◽  
Andrzej Szymański ◽  
Zenon Łukaszewski ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Alkali Metal ◽  
Mass Spectra ◽  
Secondary Ion Mass Spectrometry ◽  
Metal Cations ◽  
Mass Spectrometric ◽  
Polyethylene Glycols ◽  
Alkali Metal Cations ◽  
Secondary Ion

The mass spectrometric behaviour of mono- and di-carboxylated polyethylene glycols (PEGCs and CPEGCs) and carboxylated octylphenol ethoxylates (OPECs) is discussed. The tendency for ionisation (deprotonation, protonation and cationisation by alkali–metal cations) of carboxylated PEGs was compared with that of non-carboxylated analogues by using both secondary-ion mass spectrometry (SIMS) and electrospray ionisation (ESI). The fragmentation of the PEGCs and CPEGCs is discussed and also compared with their neutral analogues, PEGs. B/E linked-scan mass spectra were recorded, using secondary-ion mass spectrometry as a method for ion generation, for deprotonated and protonated molecules as well as for molecules cationised by alkali–metal cations. The fragmentation behaviour of PEGs is found to be different from that of CPEGCs, The presence of carboxyl groups may be confirmed not only by the determination of molecular weights of the ethoxylates studied, but also on the basis of the fragment ions formed. The metastable decomposition of the [OPEC-H]− ions proceeds through the cleavage of the bond between the octylphenol moiety and the ethoxylene chain and leads to the octylphenoxyl anions. It permits determination of the mass of the hydrophobic moiety of the studied carboxylated alkylphenol ethoxylate. ESI mass spectra recorded in the negative-ion mode were found to be more suitable than SI mass spectra for the determination of the average molecular weight of carboxylated ethoxylates.

Mass Spectrometric Investigation of Protonated and Cationized Molecules of Oxaalkyl Phosphates

2002 ◽  
Vol 8 (6) ◽  
pp. 451-460 ◽  
Author(s):  
Natalya Lyapchenko ◽  
Rafał Frański ◽  
Grzegorz Schroeder
Keyword(s):  
Mass Spectrometry ◽  
Alkali Metal ◽  
Secondary Ion Mass Spectrometry ◽  
Metal Cations ◽  
Mass Spectrometric ◽  
Alkali Metal Cations ◽  
Ionisation Mass Spectrometry ◽  
Mass Spectrometric Fragmentation ◽  
Protonated Molecules ◽  
Secondary Ion

Mass spectrometric fragmentation pathways of protonated molecules of oxaalkyl phosphates and their complexes with alkali metal cations are discussed in this paper. Liquid secondary ion mass spectrometry (LSIMS) was used as the ionisation technique and mass spectra from B/E linked scans were registered to elucidate the mass spectrometric decomposition of the studied ions. Mainly loss of the ether molecules H2C=HCOCH3 and HOH2C–H2COCH3 was observed. The elimination of neutrals containing metal, for example, K-CH2CH2OCH3 or KOCH2CH2OCH3 also occurred. In the case of phosphate (III) an unusual loss of two CH3CH2OCH3 molecules and a Li or Na atom was observed. Electrospray ionisation mass spectrometry (ESIMS) was applied in order to check the ability of the studied tripodands to form complexes with alkali metal cations.

scholarly journals The phenoxyl group-modulated interplay of cation–π and σ-type interactions in the alkali metal series

2020 ◽  
Vol 22 (46) ◽  
pp. 27105-27120
Author(s):  
Giacomo Prampolini ◽  
Marco d'Ischia ◽  
Alessandro Ferretti
Keyword(s):  
Alkali Metal ◽  
Noncovalent Interactions ◽  
Metal Cations ◽  
Alkali Metal Cations ◽  
Striking Effect

An extensive exploration of the interaction PESs of phenol and catechol complexes with alkali metal cations reveals a striking effect of –OH substitution on the balance between cation-π and σ-type noncovalent interactions.

Influence of Alkali Metal Cations on the Photodimerization of Bromo Cinnamates Studied by Solid-State NMR

2020 ◽  
Vol 124 (50) ◽  
pp. 27614-27620
Author(s):  
Marufa Zahan ◽  
He Sun ◽  
Sophia E. Hayes ◽  
Harald Krautscheid ◽  
Jürgen Haase ◽  
...  
Keyword(s):  
Solid State ◽  
Alkali Metal ◽  
Solid State Nmr ◽  
Metal Cations ◽  
Alkali Metal Cations
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