NMR Chemical Shift References for Binding Constant Determination in Aqueous Solutions

2001 ◽  
Vol 105 (30) ◽  
pp. 7361-7365 ◽  
Author(s):  
Noriaki Funasaki ◽  
Masao Nomura ◽  
Seiji Ishikawa ◽  
Saburo Neya
Keyword(s):  
Chemical Shift ◽  
Aqueous Solutions ◽  
Binding Constant ◽  
Nmr Chemical Shift ◽  
Constant Determination

A 1H NMR study of cyclodextrin - hydrocarbon surfactant inclusion complexes in aqueous solutions

1998 ◽  
Vol 76 (1) ◽  
pp. 25-34 ◽  
Author(s):  
Lee D Wilson ◽  
Ronald E Verrall
Keyword(s):  
Chemical Shift ◽  
Aqueous Solutions ◽  
Homologous Series ◽  
Binding Constant ◽  
Alkyl Chain ◽  
Binary Solvent ◽  
Nmr Chemical Shift ◽  
H Nmr ◽  
Nmr Study ◽  
Guest Species

A 1H NMR chemical shift ( delta ) study of a homologous series of hydrocarbon (hc) (CxH2x + 1CO2Na, x = 5, 7, 9, 11, 13) surfactants (S) has been carried out in water and in binary solvent (D2O + cyclodextrin (CD)) systems at 22°C. Complementary 1H NMR chemical shift ( delta ) data of the cyclodextrins in binary (D2O + S) systems containing hc surfactants have also been obtained. Complex induced shift (CIS) values for selected host or guest protons were found to increase as the alkyl chain (Cx) length of the surfactant increased. The CIS values are found to depend on the following factors: (i) the magnitude of the binding constant (Ki, i = 1:1, 2:1), (ii) the chain length of the surfactant, (iii) the mole ratio of the host to guest species, (iv) the host-guest stoichiometry, and (v) the host-guest inclusion geometry. The CIS values of the CD-S systems have been analyzed using equilibrium models in which 1:1 complexes, 1:1 plus 2:1 complexes, and uncomplexed species are present. Differences in the binding affinity, stoichiometry, and inclusion geometry of the complexes formed between a given hc surfactant and the various cyclodextrins were observed.Key words: cyclodextrin, surfactant, NMR, chemical shift, complex, binding constant.

scholarly journals NMR spectroscopic study of inclusion complexes of cetirizine dihydrochloride and β-cyclodextrin in solution

2007 ◽  
Vol 21 (3) ◽  
pp. 177-182 ◽  
Author(s):  
Syed Mashhood Ali ◽  
Santosh Kumar Upadhyay ◽  
Arti Maheshwari
Keyword(s):  
Aqueous Solution ◽  
Chemical Shift ◽  
Spectroscopic Study ◽  
Inclusion Complexes ◽  
Binding Constant ◽  
Spectroscopic Studies ◽  
Chemical Shift Change ◽  
Nmr Chemical Shift ◽  
H Nmr ◽  
Shift Change

Cetirizine dihydrochloride (CTZ), an antihistamine, forms two 1:1 inclusion complexes with β-cyclodextrin (β-CD) in aqueous solution as confirmed by detailed1H NMR, COSY and ROESY spectroscopic studies. The stoichiometry and overall binding constant of the complexes were determined by the treatment of1H NMR chemical shift change (Δδ) data. Most of the CTZ protons exhibited splitting in the presence of β-CD.

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