A comparison of L- and D-Asp and Asn alpha-radicals a case study for atropisomerism

Gerlei K. Z., YARLIGAN UYSAL S.

COMPUTATIONAL AND THEORETICAL CHEMISTRY, cilt.1038, ss.17-25, 2014 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1038
  • Basım Tarihi: 2014
  • Doi Numarası: 10.1016/j.comptc.2014.03.040
  • Dergi Adı: COMPUTATIONAL AND THEORETICAL CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.17-25
  • Eskişehir Osmangazi Üniversitesi Adresli: Evet

Özet

Asp radical has enantiomeric D and L form, due to axis chirality. This pair of degenerate minima is occurring on a single 4D-Ramachandran Potential Energy Hyper Surface (PEHS). The beta D, and beta D radicals are interconverted on a pair of enantiotopic paths of the 4D-PENS each of which has a lower and a higher transition state. These barriers are always higher for the Asp in comparison to those of the Asn radical. (C) 2014 Elsevier B.V. All rights reserved.