Continuous Gradient Temperature Raman Spectroscopy of the Long Chain Polyunsaturated Fatty Acids Docosapentaenoic (DPA, 22:5n-6) and Docosahexaenoic (DHA; 22:6n-3) from -100 to 20° C

C. Leigh Broadhurst; Walter F. Schmidt; Moon S. Kim; Julie K. Nguyen; Jianwei Qin; Kuanglin Chao; Gary L. Bauchan; Daniel R. Shelton

doi:10.1117/12.2225687

17 May 2016 Continuous gradient temperature Raman spectroscopy of the long chain polyunsaturated fatty acids docosapentaenoic (DPA, 22:5n-6) and docosahexaenoic (DHA; 22:6n-3) from −100 to 20° C

C. Leigh Broadhurst, Walter F. Schmidt, Moon S. Kim, Julie K. Nguyen, Jianwei Qin, Kuanglin Chao, Gary L. Bauchan, Daniel R. Shelton

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Proceedings Volume 9864, Sensing for Agriculture and Food Quality and Safety VIII; 98640E (2016) https://doi.org/10.1117/12.2225687
Event: SPIE Commercial + Scientific Sensing and Imaging, 2016, Baltimore, MD, United States

Abstract

The structural, cognitive and visual development of the human brain and retina strictly require long-chain polyunsaturated fatty acids (LC-PUFA). Excluding water, the mammalian brain is about 60% lipid. One of the great unanswered questions with respect to biological science in general is the absolute necessity of the LC-PUFA docosahexaenoic acid (DHA; 22:6n-3) in these fast signal processing tissues. A lipid of the same chain length with just one less diene group, docosapentaenoic acid (DPA; 22:5n-6) is fairly abundant in terrestrial food chains yet cannot substitute for DHA. Gradient Temperature Raman spectroscopy (GTRS) applies the temperature gradients utilized in differential scanning calorimetry to Raman spectroscopy, providing a straightforward technique to identify molecular rearrangements that occur near and at phase transitions. Herein we apply GTRS to DPA, and DHA from -100 to 20°C. 20 Mb three-dimensional data arrays with 1°C increments and first/second derivatives allows complete assignment of solid, liquid and transition state vibrational modes, including low intensity/frequency vibrations that cannot be readily analyzed with conventional Raman. DPA and DHA show significant spectral changes with premelting (-33 and -60°C, respectively) and melting (-27 and -44°C, respectively). The CH2-(HC=CH)-CH2 moieties are not identical in the second half of the DHA and DPA structures. The DHA molecule contains major CH2 twisting (1265 cm^-1) with no noticeable CH₂ bending, consistent with a flat helical structure with small pitch. Further modeling of neuronal membrane phospholipids must take into account this structure for DHA, which would be configured parallel to the hydrophilic head group line.

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C. Leigh Broadhurst, Walter F. Schmidt, Moon S. Kim, Julie K. Nguyen, Jianwei Qin, Kuanglin Chao, Gary L. Bauchan, and Daniel R. Shelton "Continuous gradient temperature Raman spectroscopy of the long chain polyunsaturated fatty acids docosapentaenoic (DPA, 22:5n-6) and docosahexaenoic (DHA; 22:6n-3) from −100 to 20° C", Proc. SPIE 9864, Sensing for Agriculture and Food Quality and Safety VIII, 98640E (17 May 2016); https://doi.org/10.1117/12.2225687

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KEYWORDS

Raman spectroscopy

Molecules

Liquids

Brain

Temperature metrology

Agriculture

Solids

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