Resolving Resonance Overlap in the NMR Spectra of Proteins from Differential Lanthanide-Induced Shifts

1997 ◽  
Vol 119 (33) ◽  
pp. 7885-7886 ◽  
Author(s):  
Michael Sattler ◽  
Stephen W. Fesik
Keyword(s):  
Nmr Spectra ◽  
Resonance Overlap ◽  
Lanthanide Induced Shifts

Analyzing Lanthanide-Induced Shifts in the NMR Spectra of Lanthanide(III) Complexes Derived from 1,4,7,10-Tetrakis(N,N-diethylacetamido)-1,4,7,10-tetraazacyclododecane

1995 ◽  
Vol 34 (14) ◽  
pp. 3705-3715 ◽  
Author(s):  
John H. Forsberg ◽  
Robert M. Delaney ◽  
Qian Zhao ◽  
George Harakas ◽  
Rubin Chandran
Keyword(s):  
Nmr Spectra ◽  
Lanthanide Induced Shifts

Conformation of ring A in triterpenoid and 4,4-dimethylsteroid 3-ketones. Chemical shifts of methyl protons and lanthanide and benzene induced shifts

1990 ◽  
Vol 55 (3) ◽  
pp. 766-781 ◽  
Author(s):  
Jiří Klinot ◽  
Miloš Buděšínský ◽  
Jarmil Světlý
Keyword(s):  
Nmr Spectra ◽  
Chemical Shifts ◽  
Methyl Groups ◽  
Pentacyclic Triterpene ◽  
H Nmr ◽  
Lanthanide Induced Shifts ◽  
Physical Data

Chemical shifts of signals due to methyl groups in position 10β (in CDCl3) and 4α and 4β (in C6D6) in 1H NMR spectra of pentacyclic triterpene 3-oxo derivatives (V, VIII, IX, and XII) are suitable for estimation of chair-boat equilibrium in the ring A. Benzene and lanthanide induced shifts of 4α and 4β-methyl protons were also used for this purpose. The results obtained with 2α-methyl-3-ketones (III, X) and 2β-methyl-3-ketones (IV, XI) as the respective chair and boat models agree well with those derived from other physical data (about 40% boat). The same methods were applied to 4,4-dimethylsteroid 3-ketones XV-XVII.

Lanthanide-induced shifts in proton NMR spectra of cyclohexanones

1973 ◽  
Vol 5 (1) ◽  
pp. 21-27 ◽  
Author(s):  
B. L. Shapiro ◽  
M. D. Johnston ◽  
M. J. Shapiro
Keyword(s):  
Nmr Spectra ◽  
Proton Nmr ◽  
Lanthanide Induced Shifts

1H NMR Spectral Simplification with Achiral and Chiral Lanthanide Shift Reagents. Part III:* Vinclozolin

1986 ◽  
Vol 40 (6) ◽  
pp. 743-745 ◽  
Author(s):  
Alexander Hatzis ◽  
Robert Rothchild
Keyword(s):  
1H Nmr ◽  
Nmr Spectra ◽  
Optical Purity ◽  
Molar Ratio ◽  
Molar Ratios ◽  
Chiral Reagent ◽  
H Nmr ◽  
Lanthanide Induced Shifts ◽  
Lanthanide Shift Reagents ◽  
Shift Reagents

The 60 MHz 1H NMR spectra of racemic vinclozolin, 1, have been studied at 28° in CDCI3 solution with the achiral reagent tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)europium(III), 2, and the chiral reagents tris[3-(trifluoromethylhydroxymethylene)- d-camphorato] europium(III), 3, and tris[3-(heptafluoropropylhydroxymethylene)- d-camphorato]europium(III), 4. Reagent 3 produced only small lanthanide-induced shifts and no observable enantiomeric shift differences, ΔΔδ, with 3:1 molar ratios as high as 1.40. In contrast, chiral reagent 4 produced substantial ΔΔδ for the proton, Hβ, at C-2 of the ethenyl group syn to the oxazolidinedione ring and smaller ΔΔδ for the anti proton, Hβ, at the above carbon and for the CH3. With a 4:1 molar ratio of 0.581, ΔΔδ of 7.0 Hz was seen for Hβ. A 4:1 ratio of about 0.41 should be optimum for optical purity determinations; as little as 5% of the minor enantiomer should be detectable.

NMR spectral studies: XIII—titanium tetrachloride-induced and lanthanide-induced shifts in the proton NMR spectra of β-lactams

1976 ◽  
Vol 8 (3) ◽  
pp. 151-154 ◽  
Author(s):  
Ajay K. Bose ◽  
M. S. Manhas ◽  
P. R. Srinivasan ◽  
H. P. S. Chawla ◽  
B. Dayal ◽  
...  
Keyword(s):  
Nmr Spectra ◽  
Titanium Tetrachloride ◽  
Proton Nmr ◽  
Spectral Studies ◽  
Lanthanide Induced Shifts
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