Continuous Gradient Temperature Raman Spectroscopy of Fish Oils Provides Detailed Vibrational Analysis and Rapid, Nondestructive Graphical Product Authentication

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dc.contributor.authorBroadhurst, C. Leigh
dc.contributor.authorSchmidt, Walter F.
dc.contributor.authorQin, Jianwei
dc.contributor.authorChao, Kuanglin
dc.contributor.authorKim, Moon S.
dc.date.accessioned2019-02-01T16:13:24Z
dc.date.available2019-02-01T16:13:24Z
dc.date.issued2018-12-12
dc.description.abstractBackground: Gradient temperature Raman spectroscopy (GTRS) applies the continuous temperature gradients utilized in differential scanning calorimetry (DSC) to Raman spectroscopy, providing a new means for rapid high throughput material identification and quality control. Methods: Using 20 Mb three-dimensional data arrays with 0.2 °C increments and first/second derivatives allows complete assignment of solid, liquid and transition state vibrational modes. The entire set or any subset of the any of the contour plots, first derivatives or second derivatives can be utilized to create a graphical standard to quickly authenticate a given source. In addition, a temperature range can be specified that maximizes information content. Results: We compared GTRS and DSC data for five commercial fish oils that are excellent sources of docosahexaenoic acid (DHA; 22:6n-3) and eicosapentaenoic acid (EPA; 20:5n-3). Each product has a unique, distinctive response to the thermal gradient, which graphically and spectroscopically differentiates them. We also present detailed Raman data and full vibrational mode assignments for EPA and DHA. Conclusion: Complex lipids with a variety of fatty acids and isomers have three dimensional structures based mainly on how structurally similar sites pack. Any localized non-uniformity in packing results in discrete “fingerprint” molecular sites due to increased elasticity and decreased torsion.en_US
dc.description.sponsorshipThis research received no external funding.en_US
dc.description.urihttps://www.mdpi.com/1420-3049/23/12/3293en_US
dc.format.extent15 pagesen_US
dc.genrejournal articlesen_US
dc.identifierdoi:10.13016/m2qex2-9pcg
dc.identifier.citationC. Leigh Broadhurst, Walter F. Schmidt , Jianwei Qin , Kuanglin Chao and Moon S. Kim, Continuous Gradient Temperature Raman Spectroscopy of Fish Oils Provides Detailed Vibrational Analysis and Rapid, Nondestructive Graphical Product Authentication, Molecules 2018, 23(12), 3293; https://doi.org/10.3390/molecules23123293en_US
dc.identifier.urihttps://doi.org/10.3390/molecules23123293
dc.identifier.urihttp://hdl.handle.net/11603/12685
dc.language.isoen_USen_US
dc.publisherMDPIen_US
dc.relation.isAvailableAtThe University of Maryland, Baltimore County (UMBC)
dc.relation.ispartofUMBC Mechanical Engineering Department Collection
dc.rightsThis item is likely protected under Title 17 of the U.S. Copyright Law. Unless on a Creative Commons license, for uses protected by Copyright Law, contact the copyright holder or the author.
dc.rightsAttribution 4.0 International (CC BY 4.0)*
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/*
dc.subjectgradient temperature Raman spectroscopyen_US
dc.subjectRaman spectroscopyen_US
dc.subjectlong chain polyunsaturated fatty acidsen_US
dc.subjectDHAen_US
dc.subjectEPAen_US
dc.subjectfish oilen_US
dc.subjectcod liver oilen_US
dc.subjecteicosapentaenoic aciden_US
dc.subjectdocosahexaenoic aciden_US
dc.titleContinuous Gradient Temperature Raman Spectroscopy of Fish Oils Provides Detailed Vibrational Analysis and Rapid, Nondestructive Graphical Product Authenticationen_US
dc.typeTexten_US

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