Tandem Guest–Host Switching for Chemical-to-Electrochemical Signal Transduction

62.3 KB of data underpins a study on tandem guest-host switching for chemical-to-electrochemical signal transduction. The dataset, authored by Léa Lefrançois and last updated in April 2026, likely contains results from ¹H NMR, UV/vis spectroscopy, DFT calculations, molecular dynamics simulations, and a microkinetic model. This work demonstrates selective electrochemical detection of proflavine from a complex mixture using a surface-grafted bis-acridinium macrocycle.

Use Cases

• Training or validating microkinetic models based on the described reaction-coupled recognition mechanism.
• Benchmarking computational chemistry methods (DFT, MD) against experimental spectroscopic data (¹H NMR, UV/vis) mentioned in the description.
• Developing models for selective electrochemical sensor response based on surface confinement effects described in the study.
• Analyzing the relationship between host-guest acid-base properties and electrochemical signal output as discussed in the description.

Strengths

• Dataset is associated with a multi-technique study combining experimental (¹H NMR, UV/vis) and computational (DFT, MD) validation.
• The underlying research demonstrates a practical application: selective detection of a target molecule from a mixture of ten polycyclic aromatic hydrocarbons.
• Data is licensed under CC-BY-NC-4.0, permitting non-commercial reuse with attribution.

Limitations

• The dataset is very small at 62.3 KB, indicating limited scope.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

figshare

Collection Method

Data generated through laboratory experiments (¹H NMR, UV/vis spectroscopy, electrochemistry) and computational analyses (DFT, molecular dynamics simulations).

Freshness

Last updated 2026-04-21 09:29:59; freshness should be verified.