Conformational analysis of menthol diastereomers by NMR and DFT computation

Study of a Conformational Equilibrium of Lisinopril by HPLC, NMR, and DFT

The isomerization of lisinopril has been investigated using chromatographic, NMR spectroscopic, and theoretical calculations. The NMR data, particularly the NOEDIFF experiments, show that the major species that was eluted first is the trans form. The proportion was 77% and 23% for the trans and cis, respectively. The thermodynamic parameters (ΔH, ΔS, and ΔG) were determined by varying the tempe...

a comparative move analysis of the introduction sections of ma theses by iranian and native post-graduate students

since esp received universal attention to smooth the path for academic studies and productions, a great deal of research and studies have been directed towards this area. swales’ (1990) model of ra introduction move analysis has served a pioneering role of guiding many relevant studies and has proven to be productive in terms of helpful guidelines that are the outcome of voluminous productions ...

Electronic, optical, thermodynamic parameter, NMR analysis on fullerene interacting with glycine by DFT methods

Conformational Study of some novel Methoxy Half-Analogues of Michler’s Ketone by NMR

One series of half-analogues of Michler’s ketone containing one or more terminal methoxysubstituents with variable tertiary amino groups have been used in this study. NMR spectralresults for the parent ketones confirm earlier findings that ortho proton shifts are apparentlyindependent from steric effects in derivatives of Michler’s ketone because the ring current andcarbonyl-induced shifts are ...

(1)H chemical shift differences of Prelog-Djerassi lactone derivatives: DFT and NMR conformational studies.

This work reports an experimental and theoretical study of the conformational preferences of several Prelog-Djerassi lactone derivatives, to elucidate the (1)H NMR chemical shift differences in the lactonic core that are associated with the relative stereochemistry of these derivatives. The boat-like conformation of explains the anomalous (1)H chemical shift between H-5a and H-5b, in which the ...