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http://dx.doi.org/10.4491/KSEE.2017.39.7.426

Reviews in Infrared Spectroscopy and Computational Chemistry to Reveal Rhizospheric Interactions among Organic Acids, Oxyanions and Metal oxides: Fundamental Principles and Spectrum Processing  

Han, Junho (Department of Agricultural Biotechnology and Research Institute of Agriculture and Life Sciences, Seoul National University)
Ro, Hee-Myong (Department of Agricultural Biotechnology and Research Institute of Agriculture and Life Sciences, Seoul National University)
Publication Information
Journal of Korean Society of Environmental Engineers / v.39, no.7, 2017 , pp. 426-439 More about this Journal
Abstract
This review summarizes advantage and limitation in infrared spectroscopy and computational chemistry to understand rhizospheric interaction among organic acids, oxyanions and metal oxides. Since organic acids and metal oxides determine dynamics of oxyanions in the soil environment, knowledge of fundamental mechanisms is a prerequisite for understanding the interactions at soil-water interface. Attenuated total reflectance-fourier transform infrared spectroscopy (ATR-FTIR) is a powerful tool to measure the interfacial reactions. However, the ATR-FTIR measurements are abstruse, because the optical characteristics for measurements are variable depending on the experimental setup. In addition, spectral overlapping is a primary obstacle to the analysis of the interfacial reaction; thus, it is essential to detect and to deconvolute bands for signal interpretation. In this review, we expained the fundamental principle for spectrum processing, and four band identification methods, such as derivative spectroscopy, two-dimension correlation spectroscopy, multivariate curve resolution, and computational chemistry with example of aqueous phosphate speciation. As a result, spectrum processing and computational chemistry improved interpretation and spectral deconvolution of overlapped spectra in relatively simple systems, but it was still unsatisfactory for the problems in more complexed system like nature. Nevertheless, we believed that our challenge would contribute practically to develop adequate analytical procedure, signal processing and protocols that could help to improve interpretation and to understand the interfacial interactions of oxyanions in natural systems.
Keywords
Infrared Spectroscopy; Computational Spectroscopy; Attenuated Total Reflectance; Organic Acid; Oxyanion; Metal Oxide;
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