Data · dataset · 2026
Replication Data for: Photoexcitation induces translocation of a common fluorescent pH and proton-transfer probe confined in reverse micelles
Listed in TUDOdata
Description
Project
Description: The photoacid 8-hydroxypyrene-1,3,6-trisulfonate (HPTS) is among the most widely used fluorescent probes for proton transfer and local pH. Combining steady-state and time-resolved optical spectroscopy, molecular simulations, and IR solvation-shell spectroscopy, we show that in anionic AOT reverse micelles HPTS exhibits protonation-state-dependent translocation: the acid hydrogen-bonds to the interface, while its conjugate base resides in the aqueous interior.
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Photoexcitation of the acid and the resulting deprotonation drive the base rapidly away from the interface into the water pool — an effect seen across a range of micelle sizes. This overturns the common assumption that molecular probes are static reporters fixed for the duration of an experiment. Dataset Description: SIMULATION DATASET: We performed MD simulations to characterize the distribution and dynamics of the photoacid HPTS, in its protonated (HPTS-OH) and deprotonated (HPTS-O) forms, inside the water pool of a reverse micelle (RM) of the surfactant AOT in CCl4.
ABSORPTION, EMISSION AND TIME-RESOLVED FLUORESCENCE DATASET: This dataset provides the spectroscopic characterization of the photoacid 8-hydroxypyrene-1,3,6-trisulfonic acid (HPTS) and its control 8-methoxypyrene-1,3,6-trisulfonic acid (MPTS) in aqueous and nano-confined environments. The research focuses on the translocation behavior of HPTS within AOT (sodium bis(2-ethylhexyl) sulfosuccinate) reverse micelles at various water-to-surfactant molar ratios (w0 = [H2O]/[AOT]).
The data includes: 1. Steady-state absorbance spectra. 2. Steady-state emission spectra. 3.
Time-resolved fluorescence lifetime decays. 4. Time-resolved fluorescence anisotropy decays characterizing rotational dynamics.
Links
Where it is published
- Dataverse dataset page data.tu-dortmund.de/dataset.xhtml?persistentId=doi%3A10.17877%2FRESOLV-2025-MD71YJ… ↗
landing page · from data tu dortmund de
- DOI doi.org/10.17877/resolv-2025-md71yj3v ↗
DOI / persistent id · from data tu dortmund de
Catalogue records · 1
- Dataverse API data.tu-dortmund.de/api/datasets/:persistentId/?persistentId=doi%3A10.17877%2FRESO… ↗
metadata API · from data tu dortmund de
Topics
- From keywords
- Chemistry · Engineering · Humanities · Life Sciences · Mathematics & Statistics · Physics · Social Science
- Inferred from text
- Simulation 75%
Provenance · 1 source records, 16 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| TUDOdata | doi:10.17877/RESOLV-2025-MD71YJ3V | 11 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].dataverse_subject:chemistry | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].dataverse_subject:physics | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:chemistry | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:engineering | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:humanities | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:life-sciences | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:mathematics-statistics | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:physics | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:social-science | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[method].local:method:simulation | enrichment · data tu dortmund de | keyword-concept-rules@1.0.0 | title+description (75%) |
| created_date | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | |
| description | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /description |
| publication_date | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | |
| title | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /name |
| updated_date | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | |
| version_label | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 |