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.

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

Determination of Water Content in Bioethanol Using the 1 H NMR Chemical Shift Change

2019 ◽  
Vol 40 (4) ◽  
pp. 313-316
Author(s):  
Jeongbin Yoon ◽  
Suyeon Yun ◽  
Byungjoo Kim ◽  
Sangdoo Ahn ◽  
Kihwan Choi
Keyword(s):  
Chemical Shift ◽  
Water Content ◽  
Chemical Shift Change ◽  
Nmr Chemical Shift ◽  
H Nmr ◽  
Shift Change

High resolution nuclear magnetic resonance studies of platinum(II) – guanosine-5′-monophosphate interactions in aqueous solutions

1981 ◽  
Vol 59 (23) ◽  
pp. 3297-3302 ◽  
Author(s):  
Moschos Polissiou ◽  
Minh Tan Phan Viet ◽  
Maurice St-Jacques ◽  
Theophile Theophanides
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
High Resolution ◽  
Aqueous Solutions ◽  
Conformational Changes ◽  
Coupling Constant ◽  
Magnetic Resonance Studies ◽  
H Nmr ◽  
Nmr Study ◽  
Ribose Moiety

A detailed 400 MHz 1H nmr study was carried out on platinum complexation products of GMP by K2PtCl4. Coupling constant values show that platination on N7 induces a conformational change on the ribose moiety: the 3E form of the ring and the gt conformer about the C(4′)—C(5′) bond are favoured upon complexation. The results are compared to the conformational changes induced by N7 protonation and methylation.

scholarly journals Carbon-13 NMR Chemical Shift of Methyl Group: A Useful Parameter for Structural Analysis of C-Methylated Flavonoids

2006 ◽  
Vol 1 (11) ◽  
pp. 1934578X0600101
Author(s):  
Pawan K. Agrawal ◽  
Chandan Agrawal ◽  
Shravan Agrawal
Keyword(s):  
Structural Analysis ◽  
Chemical Shift ◽  
Chemical Shifts ◽  
Nmr Chemical Shift ◽  
Methyl Group ◽  
Nmr Chemical Shifts ◽  
Nmr Study ◽  
Pterocarpus Santalinus ◽  
Group A ◽  
C Nmr

The 13C NMR resonances corresponding to the C-Me group of C-6 and/or C-8 C-methylated-flavonoids absorb between 6.7–10.0 ppm and typically between 6.7–8.7 ppm. A comparative 13C NMR study reflects that the 13C NMR chemical shifts reported for 6-hydroxy-5-methyl-3′,4′,5′-trimethoxyaurone-4-O-α-L-rhamnoside from Pterocarpus santalinus and 8-C-methyl-5,7,2′,4′- tetramethoxyflavanone from Terminalia alata are inconsistent with the assigned structures, and therefore need reconsideration.

Sign in / Sign up

Export Citation Format

Share Document