ISIS Neutron and Muon Source Data Journal

Water-Trigonelline interactions: Relevance for coffee

Abstract: The alluring aroma of steaming hot coffee just brewed from freshly roasted beans can drag sleepers from bed and pedestrians into cafés. But underlying this seemingly simple beverage is a profound chemical complexity that demands detailed knowledge of its composition. Trigonelline is an important bioactive component of coffee, being the most substantial element that contributes to undue bitterness in coffee. Its interactions with water are largely unknown, and whether or not this molecule interacts preferably with water through hydrogen bonding, or binds to other trigonelline molecules through electrostatic interactions, is still an open issue. The results of the proposed experiment will shed light on trigonelline-water interactions at the atomistic level, and will provide the required knowledge to improve the extraction efficiency of trigonelline during the coffee making process.

Principal Investigator: Professor Fabio Bruni
Experimenter: Professor Ilaria Corsi
Experimenter: Dr Silvia Imberti
Experimenter: Professor Maria Antonietta Ricci
Experimenter: Dr Emanuele Giordano

DOI: 10.5286/ISIS.E.RB1710022

ISIS Experiment Number: RB1710022

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Fabio Bruni et al; (2017): Water-Trigonelline interactions: Relevance for coffee, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1710022

Data is released under the CC-BY-4.0 license.