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Layered double hydroxide–borate composites supported on magnetic nanoparticles: preparation, characterization and molecular dynamics simulations
Journal of Porous Materials ( IF 2.5 ) Pub Date : 2020-01-10 , DOI: 10.1007/s10934-019-00853-4
Ahmet Nedim Ay , Birgul Zumreoglu-Karan , Andrey G. Kalinichev , Vicente Rives , Raquel Trujillano , Abidin Temel

Magnetic nanocomposites involving tetraborate ion (TB)-intercalated Mg–Al-layered double hydroxide (LDH) shell supported on magnesium ferrite core particles are synthesized, characterized, and compared with their non-magnetic analogues. The compositions of the obtained nanocomposites were determined and structural investigations were made by powder X-ray diffraction and Fourier transform infrared spectroscopy. Particle characteristics were examined by size distribution, specific surface area measurements, scanning electron microscopy and transmission electron microscopy. Room-temperature magnetic measurements were performed with a vibrating sample magnetometer. The dynamics and structure of the interlayer water molecules and borate ions were studied by molecular dynamics simulations. Analytical and modeling studies verified that the TB ions were arranged between the LDH layers in oblique positions. The products were found to carry ca. 6% boron (1017 B atom/μg nanocomposite). The magnetic nanocomposite showed superparamagnetic properties and can potentially find applications in biomedical fields for the site-specific delivery of bio-potent boron agents.



中文翻译:

磁性纳米颗粒上负载的层状双氢氧化物-硼酸盐复合材料:制备,表征和分子动力学模拟

磁性纳米复合材料涉及四硼酸根离子(TB)插层在镁铁氧体磁芯颗粒上的嵌入Mg-Al层的双氢氧化物(LDH)壳层,进行了合成,表征并与它们的非磁性类似物进行了比较。确定所得纳米复合材料的组成,并通过粉末X射线衍射和傅里叶变换红外光谱进行结构研究。通过尺寸分布,比表面积测量,扫描电子显微镜和透射电子显微镜检查颗粒特征。用振动样品磁力计进行室温磁测量。通过分子动力学模拟研究了层间水分子和硼酸根离子的动力学和结构。分析和建模研究证实,TB离子在LDH层之间倾斜放置。该产品被发现携带约。6%硼(1017 B原子/μg纳米复合材料)。磁性纳米复合材料表现出超顺磁性,可以潜在地在生物医学领域中用于生物活性硼剂的定点递送。

更新日期:2020-01-10
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