Fernanda Peyronel, Joseph Cooney, Erzsebet Papp-Szabo, Silvana Martini, David Pink
{"title":"X-ray characterization of three possible edible oleogelators: Experiment and theory","authors":"Fernanda Peyronel, Joseph Cooney, Erzsebet Papp-Szabo, Silvana Martini, David Pink","doi":"10.1002/aocs.12732","DOIUrl":null,"url":null,"abstract":"<p>Three oleogelator molecules (Triacontane (TC), Stearic acid (SA), and Behenyl Lignocerate (BL)) were studied individually, in pairs, or all together to make an oleogel using triolein as the oil. WAXS, SAXS and USAXS were used to elucidate the solid structures from angstroms to a few micrometers. A two-dimensional mapping of atomic positions for each molecule was carried out to understand the crystalline multilayer structures formed. We assumed that the molecules were rigidly extended and that they underwent no significant (hindered) rotations so that the free energy is determined by the Lennard-Jones interactions of closely packed multilayers. TC molecules were predicted to form a tilt angle of <math>\n <mrow>\n <msub>\n <mi>θ</mi>\n <mi>t</mi>\n </msub>\n <mo>≈</mo>\n <mn>33</mn>\n <mo>°</mo>\n </mrow></math>, yielding a SAXS line at <math>\n <mrow>\n <mi>q</mi>\n <mo>≈</mo>\n <mn>0.194</mn>\n </mrow></math> Å<sup>─1</sup>, in acceptable agreement with the measured <math>\n <mrow>\n <mi>q</mi>\n <mo>=</mo>\n <mn>0.181</mn>\n <mspace></mspace>\n <msup>\n <mi>Å</mi>\n <mrow>\n <mo>−</mo>\n <mn>1</mn>\n </mrow>\n </msup>\n </mrow></math>. For SA crystals <math>\n <mrow>\n <msub>\n <mi>θ</mi>\n <mi>t</mi>\n </msub>\n <mo>≈</mo>\n <mn>33</mn>\n <mo>°</mo>\n </mrow></math> (predicted) yielding a SAXS line at <math>\n <mrow>\n <mi>q</mi>\n <mo>=</mo>\n <mn>0.150</mn>\n <mspace></mspace>\n <msup>\n <mi>Å</mi>\n <mrow>\n <mo>−</mo>\n <mn>1</mn>\n </mrow>\n </msup>\n </mrow></math> compared to <math>\n <mrow>\n <mi>q</mi>\n <mo>=</mo>\n <mn>0.159</mn>\n <mspace></mspace>\n <msup>\n <mi>Å</mi>\n <mrow>\n <mo>−</mo>\n <mn>1</mn>\n </mrow>\n </msup>\n </mrow></math> (observed). No mixed crystals were observed for any pair of molecules or when all three were used. USAXS data showed that SA forms large nanocrystals compared to TC and BL. All three combinations of molecular pairs showed basic scatterers smaller or similar to those of individual molecules. The theory presented here, together with the experimental results, showed why no mixed crystals are formed from two or all three molecules. Data from the USAXS region suggested that, when using all three molecules, a more compact fractal structure was obtained, compared with those if one or two of the molecules were used.</p>","PeriodicalId":17182,"journal":{"name":"Journal of the American Oil Chemists Society","volume":null,"pages":null},"PeriodicalIF":1.9000,"publicationDate":"2023-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://aocs.onlinelibrary.wiley.com/doi/epdf/10.1002/aocs.12732","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of the American Oil Chemists Society","FirstCategoryId":"97","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/aocs.12732","RegionNum":4,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
引用次数: 0
Abstract
Three oleogelator molecules (Triacontane (TC), Stearic acid (SA), and Behenyl Lignocerate (BL)) were studied individually, in pairs, or all together to make an oleogel using triolein as the oil. WAXS, SAXS and USAXS were used to elucidate the solid structures from angstroms to a few micrometers. A two-dimensional mapping of atomic positions for each molecule was carried out to understand the crystalline multilayer structures formed. We assumed that the molecules were rigidly extended and that they underwent no significant (hindered) rotations so that the free energy is determined by the Lennard-Jones interactions of closely packed multilayers. TC molecules were predicted to form a tilt angle of , yielding a SAXS line at Å─1, in acceptable agreement with the measured . For SA crystals (predicted) yielding a SAXS line at compared to (observed). No mixed crystals were observed for any pair of molecules or when all three were used. USAXS data showed that SA forms large nanocrystals compared to TC and BL. All three combinations of molecular pairs showed basic scatterers smaller or similar to those of individual molecules. The theory presented here, together with the experimental results, showed why no mixed crystals are formed from two or all three molecules. Data from the USAXS region suggested that, when using all three molecules, a more compact fractal structure was obtained, compared with those if one or two of the molecules were used.
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.