Paper Titles in Periodical
International Letters of Chemistry, Physics and Astronomy
Volume 12

Subscribe

Subscribe to our Newsletter and get informed about new publication regulary and special discounts for subscribers!

ILCPA > Volume 12 > Theoretical Inversion of Amino Acids (Alanine and...
< Back to Volume

Theoretical Inversion of Amino Acids (Alanine and Aspartic Acid) by Semi-Empirical Methods

Full Text PDF

Abstract:

The inversion reaction coordinate of free amino acids (alanine, aspartic acid) have been computationally calculated by semi-empirical methods AM1. A transition state for free alanine and aspartic acid were obtained as a three membered ring in which the α-C-H and α-C-CH3 are slightly elongated, 1.2 and 2.17 Å respectively in the alanine transition state. The activation energy of alanine is 77.52 kcal/mol in the gas phase and 76.66 kcal/mol in aqueous phase, and for aspartic acid is 54.87 kcal/mol in the gas phase and 50.86 kcal/mol in aqueous phase.

Info:

Periodical:
International Letters of Chemistry, Physics and Astronomy (Volume 12)
Pages:
37-44
Citation:
M. E. Mohamed "Theoretical Inversion of Amino Acids (Alanine and Aspartic Acid) by Semi-Empirical Methods", International Letters of Chemistry, Physics and Astronomy, Vol. 12, pp. 37-44, 2013
Online since:
Sep 2013
Authors:
Export:
Distribution:
References:

Helfman P. M., Bada, J. L., Nature 262 (1976) 279-28.

Masters P. M., Bada J. L., Zigler J. S. Jr., Nature 268 (1977) 71-73.

Powell J. T., Vine N., Crossman M., Atherosclerosis 97 (1992) 201-208.

Johnson B. J., Miller G. H., Archaeometry 39(2) (1997) 265-287.

Rutter N. W., Blackwell B., Geological Association of Canada (1995) 125-164.

Smith G. G., Evans R. C., Biogeochemistry of Amino Acids, New York: John Wiley and Sons. (1980) 257-282.

Bada J. L., Schroeder R. A., Die Naturwissenschaften 62 (1975) 71-79.

Ebbers E. J., Ariaans G. J. A., Houbiers J. P. M., Bruggink A., Zwanenburg B, Tetrahedron 53 (1997) 9417-9476.

Neuberger A., Advances in Protein Chemistry, New York: Academic Press, 4 (1948) 297-383.

Bada J. L., Shou M. Y., Biogeochemistry of Amino Acids, New York, John Wiley and Sons, (1980) 235-255.

Bada J. L., Interdisciplinary, Science Reviews 7(1) (1982) 30-46.

Liardon R., Ledermann S., Journal of Agricultural and Food Chemistry 34 (1986) 557-565.

Smith G. G., Williams K. M., Wonnacott D. M., The Journal of Organic Chemistry, 43(1) (1978) 1-5.

Wonnacott D. M., PhD thesis, Utah State University, (1979).

Show More Hide