Publication record
Theoretical study of X-ray circular dichroism of amino acids
| Title | Theoretical study of X-ray circular dichroism of amino acids |
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| Authors | O. Plashkevych, V. Carravetta, O. Vahtras and H. Ågren |
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| Citation | Chem. Phys. 232, 49 (1998) |
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| Doi: | |
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| Year | 1998 |
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| Field | X-ray Chemistry and Physics |
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| Section | Near-Edge X-Ray Absorption (NEXAFS) |
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| Sub-section | General NEXAFS theory. Circular dichroism |
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| Keywords | dichroism, NEXAFS, amino acids |
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| Abstract | Ordinary and rotatory X-ray absorption intensities are computed
for chiral amino acids: alanine, cysteine, serine and valine,
in order to explore in what way near-edge X-ray
absorption and X-ray circular dichrosim can
fingerprint such compounds. It is predicted that ordinary X-ray
absorption spectra are quite alike for
the different compounds, which is in line with that they contain
similar building blocks, only one of which is changed by substitution.
The X-ray CD spectra are more sensitive and pose better prospects
to be used as fingerprints. This seems to hold especially for
spectra of unique atoms, like the nitrogen spectra of the
amino acids, while spectra with contributions from
several chemically shifted non-uniqe atoms, like the carbon atoms,
may appear too scrambled to be useful for experiments
at moderate resolution. |
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