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Vitamin E models

The effect of heteroatom substitution in 2-ethyl-2-methyl chroman and 2-ethyl-2-methyl-6-hydroxychroman

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The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics Aims and scope Submit manuscript

Abstract:

The molecular conformations of shortened molecular models of vitamin E (tocopherol and tocotrienol) and their sulfur and selenium congeners were studied computationally at the DFT level of theory [B3LYP/6-31G(d)]. The sequence of stabilization by the various heteroatoms was found to be the following: O∼Se > S. On the basis of the present structural results it seems that the seleno-congener of vitamin E is a distinct possibility.

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Authors and Affiliations

  1. Global Institute of Computational Molecular and Materials Science @ VELOCET, 210 Dundas Street W., Suite 810, Toronto, Ontario, Canada M5G 2E8, , , , , , CA

    D.H. Setiadi & G.A. Chass

  2. Department of Pharmacology and Pharmacotherapy, Szeged University, Domter12, Szeged, Hungary-6701, , , , , , HU

    L.L. Torday, A. Varro & J.Gy. Papp

  3. Department of Chemistry, University of Toronto, 80 St. George St., Toronto, Ontario, Canada M5S 3H6, , , , , , CA

    I.G. Csizmadia

Authors
  1. D.H. Setiadi
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  2. G.A. Chass
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  3. L.L. Torday
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  4. A. Varro
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  5. J.Gy. Papp
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  6. I.G. Csizmadia
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Additional information

Received 9 May 2002 / Received in final form 9 July 2002 Published online 13 September 2002

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Setiadi, D., Chass, G., Torday, L. et al. Vitamin E models . Eur. Phys. J. D 20, 609–618 (2002). https://doi.org/10.1140/epjd/e2002-00163-6

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  • DOI: https://doi.org/10.1140/epjd/e2002-00163-6

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