X-ray characterization of three possible edible oleogelators: Experiment and theory

IF 1.9 4区 农林科学 Q3 CHEMISTRY, APPLIED
Fernanda Peyronel, Joseph Cooney, Erzsebet Papp-Szabo, Silvana Martini, David Pink
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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 θ t 33 ° , yielding a SAXS line at q 0.194 Å─1, in acceptable agreement with the measured q = 0.181 Å 1 . For SA crystals θ t 33 ° (predicted) yielding a SAXS line at q = 0.150 Å 1 compared to q = 0.159 Å 1 (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.

Abstract Image

三种可能食用的油凝胶的x射线表征:实验和理论
三种油凝胶分子(三康烷(TC)、硬脂酸(SA)和木质素酸Behenyl Lignocerate (BL))被单独、成对或一起研究,以三油酸为油制成油凝胶。用WAXS、SAXS和USAXS分析了从埃到几微米的固体结构。对每个分子的原子位置进行了二维映射,以了解形成的晶体多层结构。我们假设分子是刚性扩展的,它们没有明显的(受阻碍的)旋转,因此自由能是由紧密排列的多层的伦纳德-琼斯相互作用决定的。预测TC分子形成θ t≈33°的倾角,得到q≈0.194 Å─1的SAXS线;在可接受的协议,测量q = 0.181 Å−1。对于SA晶体θ t≈33°(预测),在q = 0.150 Å−1处得到SAXS线Q = 0.159 Å−1(观测值)。没有观察到任何一对分子的混合晶体,也没有观察到所有三种分子都使用时的混合晶体。USAXS数据显示,与TC和BL相比,SA形成了更大的纳米晶体,三种分子对组合都显示出比单个分子更小或相似的基本散射体。这里提出的理论,连同实验结果,说明了为什么两种或全部三种分子不会形成混合晶体。来自USAXS区域的数据表明,当使用所有三种分子时,与使用其中一种或两种分子相比,获得了更紧凑的分形结构。
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来源期刊
CiteScore
4.10
自引率
5.00%
发文量
95
审稿时长
2.4 months
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.
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