Nota de FísicaPublicado
Cooperative effect of CH…O bonds in models for biological systems
M. O. Neto; Amarílis de V. Finageiv Neder
Dados da publicação
- Autores
- M. O. Neto; Amarílis de V. Finageiv Neder
- Tipo
- Nota de Física
- Status
- Publicado
- Data de publicação
- 16/12/2005
- Descrição
- In order to calculate CH…O interactions appearing in biologically important systems, a preliminary study is performed for smaller models. MO bond indices IXHY are calculated for dimers involving HCN, acetic acid, acetamide, glyoxal and formamide, as well as a ribose33-U35 pair appearing in tRNAPhe and 3MU-U, also related to RNA. The distance dependence obeys the same pattern for IOHO, INHO and ICHO. It is shown that the negative IXHY sign is related to the lengthening of the XH distance; the fluctuation of net charges for the involved atoms is related to the bond index. All results point at a definite cooperative effect.
- Ano
- 2005
- Número
- CBPF-NF-008/05
- Vínculo com tese
- Não
- Vínculo com bolsa
- Não