| Texto completo | |
| Autor(es): |
Mortara, Laura
[1]
;
Chaimovich, Hernan
[1]
;
Cuccovia, Iolanda M.
[1]
;
Horinek, Dominik
[2]
;
Lima, Filipe S.
[3]
Número total de Autores: 5
|
| Afiliação do(s) autor(es): | [1] Univ Sao Paulo, Inst Quim, Dept Quim, BR-05513970 Sao Paulo - Brazil
[2] Univ Regensburg, Inst Phys & Theoret Chem, D-93040 Regensburg - Germany
[3] Univ Fed Pernambuco, Ctr Ciencias Exatas & Nat, Dept Quim Fundamental, BR-50670901 Recife, PE - Brazil
Número total de Afiliações: 3
|
| Tipo de documento: | Artigo Científico |
| Fonte: | JOURNAL OF CHEMICAL INFORMATION AND MODELING; v. 60, n. 2, p. 604-610, FEB 2020. |
| Citações Web of Science: | 1 |
| Resumo | |
Specific ion effects in zwitterionic micelles, especially for anions, are evident in reaction kinetics, zeta potential, and critical micelle concentration measurements. However, anion adsorption to zwitterionic micelles does not produce significant changes in shape, aggregation number, or interfacial hydration. Here we used molecular dynamics simulation of systems containing sulfobetaine zwitterionic micelles of N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate (DPS) and nine different salts to explore ion adsorption in terms of group dehydration. Our results, in line with those obtained for cationic micelles, showed that the adsorption degree of anions containing both hydrophobic and hydrophilic portions, i.e., hydrotropes, were correlated with the ion dehydration and were governed mainly by the hydrophobic portion dehydration upon adsorption. (AU) | |
| Processo FAPESP: | 18/19838-8 - Forças determinantes da estrutura e estabilidade de agregados de surfactantes sintéticos: seletividade na associação de íons a interfaces e formação de vesículas |
| Beneficiário: | Laura Mortara |
| Modalidade de apoio: | Bolsas no Brasil - Doutorado Direto |
| Processo FAPESP: | 13/08166-5 - Química em interfaces: interações de fármacos, peptídios e enzimas com membranas modelos |
| Beneficiário: | Iolanda Midea Cuccovia |
| Modalidade de apoio: | Auxílio à Pesquisa - Temático |