Tipo
Artigos em Revista
Tipo de Documento
Artigo Completo
Título
Hydrogen Bonding. 47. Characterization of the Ethylene-Glicol-Heptane Partition System; Hydrogen Bond Acidity and Basicity of Peptides.
Participantes na publicação
M. H. Abraham (Author)
F. Martins (Author)
Dep. Química e Bioquímica
R. C. Mitchell (Author)
C. J. Salter. (Author)
Resumo
Twelve measured ethylene glycol–heptane partition coefficients, Peh, have been combined with 20 measured literature values and 44 indirectly determined values to give a set of 76 values. Excluding one value for benzamide, the log Peh values are correlated through our general solvation equation, log Peh = 0.336 − 0.075R2 − 1.201 π2H − 3.786 Σα2H − 2.201 Σβ2H + 2.085Vx with r2 = 0.966, sd = 0.28, and F = 386. The solute descriptor R2 is the excess molar refraction, π2H is the dipolarity/polarizability, Σα2H and Σβ2H are the overall hydrogen bond acidity and basicity, and Vx is the McGowan volume. The log Peh equation has then been used to obtain descriptors for eleven peptides, all of which are end?protected. It is shown that for these end?protected peptides, hydrogen bond basicity makes a greater contribution to log Peh than does hydrogen bond acidity.
Data de Submissão/Pedido
1998-06-09
Data de Aceitação
1998-10-19
Data de Publicação
1999-02
Instituição
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA
Suporte
JOURNAL OF PHARMACEUTICAL SCIENCES
Identificadores da Publicação
ISSN - 0022-3549
Editora
John Wiley and Sons
Número de Páginas
7
Página Inicial
241
Página Final
247
Identificadores do Documento
DOI -
https://doi.org/10.1021/js980242l
URL -
https://doi.org/10.1021/js980242l
Identificadores de Qualidade
SCIMAGO Q1 (1999) - 1.154 - Pharmaceutical Sciences
Web Of Science Q1 (1999) - 2.270 - Chemistry, Medicinal
Web Of Science Q1 (1999) - 2.270 - Pharmacology & Pharmacy
Web Of Science Q1 (1999) - 2.270 - Chemistry