Aquaphotomics Reveals Subtle Differences between Natural Mineral, Processed and Aged Water Using Temperature Perturbation Near-Infrared Spectroscopy

Abstract

Current approaches to the quality control of water are unsatisfying due to either a high cost or the inability to capture all of the relevant information. In this study, near-infrared spectroscopy (NIRS) with aquaphotomics as a novel approach was assessed for the discrimination of natural, processed and aged water samples. Temperature perturbation of water samples was employed to probe the aqueous systems and reveal the hidden information. A radar chart named an aquagram was used to visualize and compare the absorbance spectral patterns of waters at different temperatures. For the spectra acquired at a constant temperature of 30 °C, the discrimination analysis of different water samples failed to produce satisfying results. However, under perturbation by increasing the temperature from 35 to 60 °C, the absorbance spectral pattern of different waters displayed in aquagrams revealed different, water-specific dynamics. Moreover, it was found that aged processed water changed with the temperature, whereas the same processed water, when freshly prepared, had hydrogen bonded structures unperturbed by temperature. In summary, the aquaphotomics approach to the NIRS analysis showed that the water absorbance spectral pattern can be used to describe the character and monitor dynamics of each water sample as a complex molecular system, whose behavior under temperature perturbation can reveal even subtle changes, such as aging and the loss of certain qualities during storage.

Keywords

• aquaphotomics
• water
• discrimination
• temperature
• near-infrared spectroscopy (NIRS)
• perturbation