Foods from agriculture and fishery products are processed using various technologies. Molecular mixture analysis during food processing has the potential to help us understand the molecular mechanisms involved, thus enabling better cooking of the analyzed foods. To date, there has been no web-based tool focusing on accumulating Nuclear Magnetic Resonance (NMR) spectra from various types of food processing. Therefore, we have developed a novel web-based tool, FoodPro, that includes a food NMR spectrum database and computes covariance and correlation spectra to tasting and hardness. As a result, FoodPro has accumulated 236 aqueous (extracted in D2O) and 131 hydrophobic (extracted in CDCl3) experimental bench-top 60-MHz NMR spectra, 1753 tastings scored by volunteers, and 139 hardness measurements recorded by a penetrometer, all placed into a core database. The database content was roughly classified into fish and vegetable groups from the viewpoint of different spectrum patterns. FoodPro can query a user food NMR spectrum, search similar NMR spectra with a specified similarity threshold, and then compute estimated tasting and hardness, covariance, and correlation spectra to tasting and hardness. Querying fish spectra exemplified specific covariance spectra to tasting and hardness, giving positive covariance for tasting at 1.31 ppm for lactate and 3.47 ppm for glucose and a positive covariance for hardness at 3.26 ppm for trimethylamine N-oxide.
The thermodynamics of manganese oxide in high-MnO-containing slags was investigated using the chemical equilibrium method in the temperature range of 1623 to 1723 K. MnO-SiO2-Al2O3 slags were brought into equilibrium with molten silver (Ag) under controlled CO/CO2 gas atmosphere. The equilibrium Mn concentration in the silver was measured by ICP-AES (inductively coupled plasma atomic emission spectroscopy) analysis after the experiment. Slag samples were analyzed by EPMA (electron probe microanalyzer) analysis. The obtained activity aMnO and activity coefficient γMnO were derived as a function of the slag composition and temperature. The activity coefficient of MnO within the investigated slag system increased with an increasing MnO/SiO2 ratio. The derived temperature dependence of the activity coefficient and partition ratio of Mn between the metal and the slag was strongly influenced by the slag composition. The thermodynamic assessment of the activity and activity coefficient of MnO was carried out by applying the regular solution model (RSM) on the basis of interaction energies of the cations and with FactSageTM 7.3. The theoretical calculations were compared with the experimentally derived values.
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