UNESCO-UNISA Africa Chair in Nanosciences and Nanotechnology Laboratories, College of Graduate Studies, University of South Africa, Muckleneuk Ridge, P. O. Box 392, Pretoria, 0003, South Africa.
Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, P. O. Box 722, Somerset West, 7129, Western Cape, South Africa.
Sci Rep. 2023 Feb 10;13(1):2442. doi: 10.1038/s41598-022-25723-z.
This study describes a molecular dynamics computational modelling informed bioengineering of nano-scaled 2-D hydronium jarosite. More specifically, a phyto-engineering approach using green nano-chemistry and agro-waste in the form of avocado seed natural extract was utilized as a green, economic, and eco-friendly approach to synthesize this unique mineral at the nanoscale via the reduction of iron (II) sulphate heptahydrate. The nanoproduct which was found to exhibit a quasi-2D structure was characterized using a multi-technique approach to describe its morphological, optical, electrochemical, and magnetic properties. Radial distribution function and electrostatic potential maps revealed that flavone, a phenolic compound within the avocado seed natural extract, has a higher affinity of interaction with the nanoparticle's surface, whilst vanillic acid has a higher wetting tendency and thus a lower affinity for interacting with the hydronium jarosite nanoparticle surface compared to other phytoactive compounds. XRD and HRTEM results indicated that the nanoscale product was representative of crystalline rhombohedral hydronium jarosite in the form of quasi-triangular nanosheets decorated on the edges with nanoparticles of approximately 5.4 nm diameter that exhibited significant electrochemical and electroconductive behaviours. Magnetic studies further showed a diamagnetic behaviour based on the relationship of the inverse susceptibility of the nanomaterial with temperature sweep.
本研究描述了一种基于分子动力学计算模型的生物工程纳米级二维水羟铁矾。更具体地说，利用绿色纳米化学和农业废弃物（形式为鳄梨种子天然提取物）的植物工程方法被用作一种绿色、经济且环保的方法，通过还原七水合硫酸亚铁来在纳米尺度上合成这种独特的矿物质。该纳米产物被发现具有类二维结构，通过多种技术手段对其形貌、光学、电化学和磁性进行了表征。径向分布函数和静电势图表明，鳄梨种子天然提取物中的类黄酮是一种酚类化合物，与纳米颗粒表面的相互作用具有更高的亲和力，而香草酸的润湿性更高，因此与羟铁矾纳米颗粒表面的相互作用亲和力低于其他植物活性化合物。XRD 和 HRTEM 结果表明，纳米级产物以类三角纳米片的形式代表结晶菱面体羟铁矾，纳米片边缘装饰有直径约为 5.4nm 的纳米颗粒，表现出显著的电化学和导电性能。磁性研究进一步表明，基于纳米材料的磁化率与温度扫描的关系，表现出反铁磁性行为。
