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Journal Critique: Dissolved Cations In Coffee Extraction

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Elsa Kurosu
10/4/2014
Chem-140L-06
Journal Critique: Dissolved Cations in Coffee Extraction

On May 6th, 2014, an article based on an experiment facilitated by Prof. A. Walsh that discusses the role of dissolved cations in coffee extraction, was published. This experiment was inspired by the idea that coffee beans contain flavorsome compounds that are acids, salts, and aprotic charge neutral atoms and the extraction of these organic molecules depends on the mineral content of the water. Water itself contains many minerals, which are referred to as “impurities”. The impurities that were tested in this experiment were Na+, Ca2+, and Mg2+. To discover the affects of water impurities in coffee extraction and composition, the experimenters observed the thermodynamic binding energies of 5 coffee acids, caffeine, and eugenol. The objective of these tests is to determine the effects of the characteristics of mineral composition in water to the extraction of dissolved cations in …show more content…

Both Lactic and Malic acid have sour notes, Citric acid has a sweet note, Quinic acid and Chlorogenic acid are pungent, Caffeine is weakly basic, and Eugenol is a woody note. The equation relating the thermodynamic relative binding energy of two compounds is that the binding energy equals the energy of the product minus the energy of individual components. In this experiment the PCM, polarizable continuum model, was excluded because it mimics solvents and decreases the relative binding energies, as well as slows down the computation of the chemical calculations. This is a type of scientific method used for solvents, but to speed up the computations and increase accessibility and accuracy, the experimenters did not use the PCM method. Instead, the functional PBE, Perdew- Burke-Ernzerhof was used to provide speed and energy

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