Cavitation energies can outperform dispersion interactions
Suhang He1, Frank Biedermann2, Nina Vankova3,4
1Department of Life Sciences and Chemistry, Jacobs University Bremen, Bremen, Germany.
Nature Chemistry
|October 10, 2018
Summary
Noble gas binding to cucurbit[5]uril in water is driven by lower energy costs for creating cavities, not dispersion forces. This finding impacts gas storage materials and biological receptor studies.
Area of Science:
- Supramolecular Chemistry
- Physical Chemistry
- Chemical Physics
Background:
- Dissecting binding energies into microscopic components in solution is complex.
- Understanding host-guest interactions is crucial for various applications.
Purpose of the Study:
- To investigate the binding of noble gases (He-Xe) with cucurbit[5]uril in aqueous solution.
- To determine the driving forces behind host-guest binding by dissecting hydration free energies.
- To elucidate the contributions of dispersive and repulsive forces to the binding process.
Main Methods:
- Utilizing 1H NMR spectroscopy to monitor the displacement of methane and ethane.
- Employing displacement assays with noble gases (He-Xe) as guests.
- Analyzing hydration free energies into attractive dispersive and repulsive cavity formation components.
Main Results:
- Noble gas binding to cucurbit[5]uril is primarily driven by differential cavitation energies.
- The energy required to form a cavity within cucurbit[5]uril is significantly lower than in bulk water.
- Dispersion interactions play a lesser role compared to cavitation effects in this binding process.
Conclusions:
- The binding of noble gases to cucurbit[5]uril is governed by favorable energetics of cavity formation.
- Recovery of cavitation energy is the primary driver for the overall binding process.
- Findings have implications for designing advanced gas-storage materials and understanding biological receptor mechanisms.
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