| Full text | |
| Author(s): |
Mortara, Laura
[1]
;
Chaimovich, Hernan
[1]
;
Cuccovia, Iolanda M.
[1]
;
Horinek, Dominik
[2]
;
Lima, Filipe S.
[3]
Total Authors: 5
|
| Affiliation: | [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
Total Affiliations: 3
|
| Document type: | Journal article |
| Source: | JOURNAL OF CHEMICAL INFORMATION AND MODELING; v. 60, n. 2, p. 604-610, FEB 2020. |
| Web of Science Citations: | 1 |
| Abstract | |
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) | |
| FAPESP's process: | 18/19838-8 - Decisive forces for the structure and stability of aggregates composed by synthetic surfactants: ion association selectivity to interfaces and vesicle formation |
| Grantee: | Laura Mortara |
| Support Opportunities: | Scholarships in Brazil - Doctorate (Direct) |
| FAPESP's process: | 13/08166-5 - Interfacial chemistry: drugs, peptides and ezymes interactions with membrane models |
| Grantee: | Iolanda Midea Cuccovia |
| Support Opportunities: | Research Projects - Thematic Grants |