Recognition of R- and S-Isomers of alpha-Alanine by Chiral Nanotubes

作者：Kuznetsov V V^*

来源：Russian Journal of General Chemistry, 2018, 88(5): 930-934.

DOI：10.1134/S1070363218050158

• alpha-alanine
• R,S-isomers
• chiral nanotube
• computer modeling

DFT PBE/3 zeta study of relative stability of the R- and S-isomers of alpha-alanine in open carbon nanotubes with chirality indices (5,5), P,M-(5,1) and P,M-(5,2) has shown that the encapsulated molecule of the amino acid notably changes its geometrical and electronic characteristics. Besides, for the clusters alpha-alanine@nano (5,2) the most stable are practically degenerate in energy adducts S-alanine@P-(5,2) and R-alanine@De-(5,2). All this indicates the ability of chiral nanotubes to recognize encapsulated molecules of the R- and S-isomers.

• 出版日期2018-5