Mortara, Laura and Chaimovich, Hernan and Cuccovia, Iolanda M. and Horinek, Dominik and Lima, Filipe S. (2020) Dehydration Determines Hydrotropic Ion Affinity for Zwitterionic Micelles. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 60 (2). pp. 604-610. ISSN 1549-9596, 1549-960X
Full text not available from this repository. (Request a copy)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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | CATIONIC MICELLES; HYDRATION; DYNAMICS; TRIFLATE; SURFACTANTS; INTERFACE; COUNTERIONS; BINDING; MICELLIZATION; SPECTROSCOPY; |
| Subjects: | 500 Science > 570 Life sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > Prof. Dr. Dominik Horinek |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 30 Mar 2021 10:47 |
| Last Modified: | 30 Mar 2021 10:47 |
| URI: | https://pred.uni-regensburg.de/id/eprint/45178 |
Actions (login required)
 |
View Item |
