Simultaneous monitoring of epoxy value, hydroxyl value, and polymeric hydroxyl value during the ring opening of epoxidized soybean oils based on low-field nuclear magnetic resonance coupled with chemometrics
Fengdan Yan, Wenlong Li, Zihan Ye, Dan Peng, Yanlan Bi, Jun Li
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引用次数: 0
Abstract
Low-field nuclear magnetic resonance technique combined with chemometrics was employed to establish the quantitative models for rapidly monitoring the changes of indicators (hydroxyl value (OHV), epoxy value (EV), polymeric hydroxyl value (POHV, reflecting the degree of polyetherification)) during the ring opening of epoxidized soybean oils. Comprehensively considering the variations of peak retention times and peak areas of LF-NMR spectra, OHVs of vegetable oils-based polyols were divided into low OHV (LOHV, 1.7–91.9 mg KOH/g) group and high OHV (HOHV, 94.1–229.4 mg KOH/g) group. In both LOHV and HOHV groups, OHV presented good linearity with T2w, S23, and STotal of relaxation property with correlation coefficient of >0.90. EV and POHV also presented good linearity with relaxation property in both LOHV and HOHV groups. In LOHV group, data segment 1–1000 ms was taken with Deresolve, no preprocessing, and Deresolve as preprocessing methods for OHV, EV, and POHV, respectively, and partial least square (PLS) as the modeling method for all the three indicators, where RMSEPs of OHV, EV, and POHV models were 4.282, 0.114, and 4.061, respectively. In HOHV group, data segment 1–1000 ms was taken with no preprocessing as the preprocessing method and PLS as the modeling method for all the three indicators, where RMSEPs of OHV, EV, and POHV models were 3.117, 0.088, and 4.964, respectively. The established method will benefit polyol industry to online adjust the production parameters according to the monitoring results and achieve high-quality of vegetable oils-based polyols.
期刊介绍:
The Journal of the American Oil Chemists’ Society (JAOCS) is an international peer-reviewed journal that publishes significant original scientific research and technological advances on fats, oils, oilseed proteins, and related materials through original research articles, invited reviews, short communications, and letters to the editor. We seek to publish reports that will significantly advance scientific understanding through hypothesis driven research, innovations, and important new information pertaining to analysis, properties, processing, products, and applications of these food and industrial resources. Breakthroughs in food science and technology, biotechnology (including genomics, biomechanisms, biocatalysis and bioprocessing), and industrial products and applications are particularly appropriate.
JAOCS also considers reports on the lipid composition of new, unique, and traditional sources of lipids that definitively address a research hypothesis and advances scientific understanding. However, the genus and species of the source must be verified by appropriate means of classification. In addition, the GPS location of the harvested materials and seed or vegetative samples should be deposited in an accredited germplasm repository. Compositional data suitable for Original Research Articles must embody replicated estimate of tissue constituents, such as oil, protein, carbohydrate, fatty acid, phospholipid, tocopherol, sterol, and carotenoid compositions. Other components unique to the specific plant or animal source may be reported. Furthermore, lipid composition papers should incorporate elements of yeartoyear, environmental, and/ or cultivar variations through use of appropriate statistical analyses.