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Detection and classification of volatile fatty acids using surface‐enhanced Raman scattering and density functional theory calculations
Author(s) -
Botta Raju,
Chindaudon Pongpan,
Eiamchai Pitak,
Horprathum Mati,
Limwichean Saksorn,
Chananawathorn Chanunthorn,
Patthanasettakul Viyapol,
Jomphoak Apichai,
Nuntawong Noppadon
Publication year - 2019
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.5737
Subject(s) - butyric acid , chemistry , fermentation , methane , raman spectroscopy , raman scattering , density functional theory , titration , acetic acid , volatile fatty acids , gas chromatography , fatty acid , chromatography , analytical chemistry (journal) , organic chemistry , computational chemistry , physics , rumen , optics
Volatile fatty acids of acetic, butyric, lactic, and propionic acids play an important role in the methane fermentation process. Particularly significant amount of propionic acid presence in the process will influence the methane fermentation efficiency. Herein, zigzag‐aligned silver nanorods were designed as surface‐enhanced Raman scattering (SERS)‐active substrates to establish the classification of volatile fatty acids against the traditional poor sensitive and time‐consuming titration and gas chromatography methods. SERS and chemometric method of principal component analysis is used for the detection and classification of volatile fatty acids. Density functional theory calculations were performed to understand the Raman vibrations and compare with experimental observations and to aid in the assignments of spectral lines. For the first time, the authors have used SERS technique to classify the acids. The findings suggest that this method is of great potential in the field of methane fermentation from industrial waste.