Results 161 to 170 of about 2,440 (209)
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Determining structures of polymeric molecules by vibrational circular dichroism (VCD) spectroscopy
Vibrational Spectroscopy, 2000Abstract Vibrational circular dichroism (VCD) spectroscopy was applied to polymeric systems, in particular to several synthetic chiral polymers and DNA oligomers. After outlining the beginnings of VCD in general and as applied to the targeted systems, the two topics are discussed using examples from our laboratory.
V. Andrushchenko +3 more
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Fourier transform infrared vibrational circular dichroism (VCD) instrument for studies of polymers
SPIE Proceedings, 1994A Bomem MB 100 based spectrometer suitable for chiroptic studies of polymeric materials and biologically significant molecules is described. The optical layout is designed to utilize its external collimated beam. Standard VCD optics consisting of KRS-5 polarizer and ZnSe PEM is mounted on an optical breadboard next to the spectrometer.
Dimiter Tsankov +3 more
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Chirality, 2015
AbstractVibrational circular dichroism spectra (VCD) in the mid‐IR region and electronic circular dichroism (ECD) spectra for three carnitine derivatives in the form of hydrochloride salts were recorded in deuterated methanol solutions. Density Functional Theory calculations help one to understand the significance of the observed VCD bands. VCD and ECD
MAZZEO, Giuseppe +4 more
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AbstractVibrational circular dichroism spectra (VCD) in the mid‐IR region and electronic circular dichroism (ECD) spectra for three carnitine derivatives in the form of hydrochloride salts were recorded in deuterated methanol solutions. Density Functional Theory calculations help one to understand the significance of the observed VCD bands. VCD and ECD
MAZZEO, Giuseppe +4 more
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Chirality, 2007
AbstractThe vibrational circular dichroism (VCD) spectra of the two enantiomers of a chiral molecule are of equal magnitude and opposite sign: i.e. mirror‐image enantiomers give mirror‐image VCD spectra. In principle, the absolute configuration (AC) of a chiral molecule can therefore be determined from its VCD spectrum.
Philip J, Stephens +2 more
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AbstractThe vibrational circular dichroism (VCD) spectra of the two enantiomers of a chiral molecule are of equal magnitude and opposite sign: i.e. mirror‐image enantiomers give mirror‐image VCD spectra. In principle, the absolute configuration (AC) of a chiral molecule can therefore be determined from its VCD spectrum.
Philip J, Stephens +2 more
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The Journal of Physical Chemistry A, 2008
S-(-)-Perillaldehyde (4-isopropenylcyclohex-1-ene-1-carbaldehyde) is a secondary metabolite and an atmospheric pollutant obtained from the oxidation of other terpenes, as limonene and alpha-pinene, among others. For the first time, a study of the molecular structure and the infrared and Raman spectra of this chemical is presented.
Francisco, Partal Ureña +2 more
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S-(-)-Perillaldehyde (4-isopropenylcyclohex-1-ene-1-carbaldehyde) is a secondary metabolite and an atmospheric pollutant obtained from the oxidation of other terpenes, as limonene and alpha-pinene, among others. For the first time, a study of the molecular structure and the infrared and Raman spectra of this chemical is presented.
Francisco, Partal Ureña +2 more
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Journal of Chemical Theory and Computation, 2012
The VCD spectra of (S)-(+)-carvone and (1S,2R,5S)-(+)-menthol are recalculated using the DFT method with extended conformation and configuration spaces. The calculated individual and averaged spectra are compared against observed ones using the previously reported similarity index, SV.
Jian, Shen +3 more
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The VCD spectra of (S)-(+)-carvone and (1S,2R,5S)-(+)-menthol are recalculated using the DFT method with extended conformation and configuration spaces. The calculated individual and averaged spectra are compared against observed ones using the previously reported similarity index, SV.
Jian, Shen +3 more
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Journal of the American Chemical Society, 2008
A major challenge to understanding the fundamental structural basis of interactions between macromolecules in solution is how to measure their separate contributions. Particularly challenging is the interaction between proteins and polysaccharides.
Timothy R, Rudd +2 more
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A major challenge to understanding the fundamental structural basis of interactions between macromolecules in solution is how to measure their separate contributions. Particularly challenging is the interaction between proteins and polysaccharides.
Timothy R, Rudd +2 more
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Chirality, 2015
AbstractThe absolute configuration of 1 was deduced by vibrational circular dichroism together with the evaluation of the Flack and Hooft X‐ray parameters. Vibrational circular dichroism exciton coupling, using the carbonyl group signals, confirmed the absolute configuration of 2.
Mariano, Sánchez-Castellanos +5 more
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AbstractThe absolute configuration of 1 was deduced by vibrational circular dichroism together with the evaluation of the Flack and Hooft X‐ray parameters. Vibrational circular dichroism exciton coupling, using the carbonyl group signals, confirmed the absolute configuration of 2.
Mariano, Sánchez-Castellanos +5 more
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Physical Chemistry Chemical Physics, 2009
S-(-)-Limonene oxide (4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane) is a secondary metabolite and an atmospheric pollutant product of oxidation of other terpenes, such as limonene and alpha-pinene, among others. For the first time, a theoretical study of the molecular structure and a theoretical and experimental analysis of the infrared and Raman ...
Juan Ramón Avilés, Moreno +2 more
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S-(-)-Limonene oxide (4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane) is a secondary metabolite and an atmospheric pollutant product of oxidation of other terpenes, such as limonene and alpha-pinene, among others. For the first time, a theoretical study of the molecular structure and a theoretical and experimental analysis of the infrared and Raman ...
Juan Ramón Avilés, Moreno +2 more
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Organic & Biomolecular Chemistry, 2007
The structural features of carbohydrates are a combination of 1) sequence and types of mono-sugars, 2) stereochemistry of their glycosidic linkages, and 3) their glycosidic linkage sites. We performed the first systematic VCD study on glycoside linking site discrimination.
Tohru, Taniguchi, Kenji, Monde
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The structural features of carbohydrates are a combination of 1) sequence and types of mono-sugars, 2) stereochemistry of their glycosidic linkages, and 3) their glycosidic linkage sites. We performed the first systematic VCD study on glycoside linking site discrimination.
Tohru, Taniguchi, Kenji, Monde
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