Domination of H-Bond Interactions in the Solvent-Triggering Gelation Process
Gels prepared with the solvent-triggering method are attractive for their easy and fast preparation; however, the role of solvents in this process remains unclear, which hinders the efficient and accurate control of desired gel properties. In this study, the role of solvents in the solvent-triggerin...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 38(2022), 26 vom: 05. Juli, Seite 7965-7975 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , , , , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2022
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Gels Solvents diphenylalanine Phenylalanine 47E5O17Y3R |
| Zusammenfassung: | Gels prepared with the solvent-triggering method are attractive for their easy and fast preparation; however, the role of solvents in this process remains unclear, which hinders the efficient and accurate control of desired gel properties. In this study, the role of solvents in the solvent-triggering gelation process is studied using 9-fluorenylmethoxycarbonyl (Fmoc)-protected diphenylalanine (Fmoc-FF) as the gelator. Density functional theory (DFT)-based calculations and corresponding wavefunction analyses are conducted to identify the H-bonding interaction sites between the molecules. The calculation results clearly annotate the activating role of DMF and the triggering role of H2O in the gelation process. The solvation of Fmoc-FF by DMF can activate the H-bonding sites on the peptide chain, showing a conformation reversal and higher electrostatic potentials. Then, the H-bonding between Fmoc-FF and H2O is facilitated to trigger gelation. The physical Fmoc-FF/DMF/H2O gels show easily tuned mechanical strengths (G' of 102-105 Pa), injectable potentials (general yield strain < 100%), and stable recoverability (80-98% within 100 s). The regulation of these properties depends on not only the gelator concentration but also the H-bonding interactions with solvent molecules, which have seldom been studied in detail before. By understanding the effect of solvents, low-molecular-weight gelator-based gels can be designed, prepared, and tuned efficiently for potential applications |
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| Beschreibung: | Date Completed 07.07.2022 Date Revised 24.08.2022 published: Print-Electronic Citation Status MEDLINE |
| ISSN: | 1520-5827 |
| DOI: | 10.1021/acs.langmuir.2c00677 |