Katti Dinesh R, Ghosh Pijush, Schmidt Steven, Katti Kalpana S
Department of Civil Engineering and Construction, North Dakota State University, Fargo, North Dakota 58105, USA.
Biomacromolecules. 2005 Nov-Dec;6(6):3276-82. doi: 10.1021/bm0503219.
Nanosized montmorillonite clay dispersed in small amounts in polymer results in polymer nanocomposites having superior engineering properties compared to those of the native polymer. These nanoinclusions are created by treating clay with an organic modifier which makes clay organophilic and results in intercalation or exfoliation of the montmorillonite. The modifiers used are usually long carbon chains with alkylammonium or alkylphosphonium cations. In this work, we have investigated the use of some alternative molecules which can act as modifiers for clay composites using clay for reinforcing a matrix of biopeptides or proteins. Such composites have potential applications in the fields of biomedical engineering and pharmaceutical science. In this work, the amino acids arginine and lysine are used as modifiers. The intercalation and mechanical behavior of the interlayer spacing with these amino acids as inclusions under compression and tension are studied using molecular dynamics simulations. Significant differences in the responses are observed. This work also provides an insight into the orientation and interaction of amino acids in the interlayer under different stress paths.
少量分散在聚合物中的纳米级蒙脱石粘土会形成聚合物纳米复合材料,与天然聚合物相比,该复合材料具有优异的工程性能。这些纳米夹杂物是通过用有机改性剂处理粘土而形成的,这使得粘土具有亲有机性,并导致蒙脱石的插层或剥离。所使用的改性剂通常是带有烷基铵或烷基鏻阳离子的长碳链。在这项工作中,我们研究了一些替代分子的用途,这些分子可以作为粘土复合材料的改性剂,使用粘土来增强生物肽或蛋白质的基质。此类复合材料在生物医学工程和制药科学领域具有潜在应用。在这项工作中,氨基酸精氨酸和赖氨酸被用作改性剂。使用分子动力学模拟研究了以这些氨基酸作为夹杂物时,在压缩和拉伸下中间层间距的插层和力学行为。观察到响应存在显著差异。这项工作还深入了解了在不同应力路径下氨基酸在中间层中的取向和相互作用。