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首页> 外文期刊>Journal of biomedical materials research. Part B, Applied biomaterials. >Optimization of Ca2+ content in alginate hydrogel injected in myocardium
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Optimization of Ca2+ content in alginate hydrogel injected in myocardium

机译:藻酸盐水凝胶中CA2 +含量的优化

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The spontaneous uptake of Ca2+-ions is a unique property of alginate hydrogels, which, along with their high biocompatibility, disintegration (approximately within 2 weeks), and morphological similarity to heart tissue, makes them attractive as scaffolding materials in therapies in infarct myocardium. To shed light on the aforementioned ability, thorough theoretical calculations were carried out with the density functional theory (DFT) method. The influence of Ca-content omicron n the molecular structure and the thermodynamic stability of the alginate hydrogel was determined; what is more, these results effectively interpreted the experimental findings, as well. This analysis suggests that in Ca-free or Ca-deficient alginates spontaneous Ca2+ cations uptake can occur from the biological environment and develop, via chelation reaction, a well-formed and thermodynamically stable hydrogel in situ inside the tissue. The highest degree of cross linking results in viscosity peak. Nevertheless, further increase of Ca-content in alginate structure beyond this peak results in products with poorer thermodynamic stability. Structural optimization DFT calculations revealed that the destabilization of the Ca-rich alginate hydrogels is attributed to changes of the alginate chain molecule, which are relaxation, weakening, and eventually total collapse of the bond between the units of the alginate chain. (c) 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 107B: 223-231, 2019.
机译:Ca2 + - 藻酸盐水凝胶的自发摄取是藻酸盐水凝胶的独特性,以及它们的高生物相容性,崩解(大约在2周内)和心脏组织的形态相似性,使它们作为梗塞心肌疗法的脚手架材料具有吸引力。在上述能力下揭示光,用密度泛函理论(DFT)方法进行彻底的理论计算。测定了Ca-含量omicronn的影响和藻酸盐水凝胶的热力学稳定性的影响;更重要的是,这些结果也有效地解释了实验结果。该分析表明,在无螯合反应中,可以发生在无缺陷的或具有Ca缺陷的Alg键,通过螯合反应,通过螯合反应,在组织内原位形成良好的形成和热力学稳定的水凝胶。相交程度的交联导致粘度峰值。然而,在这种峰值之外的藻酸盐结构中的Ca含量进一步增加了热力学稳定性较差的产品。结构优化DFT计算表明,富含Ca-藻酸盐水凝胶的稳定化归因于藻酸盐链分子的变化,其是松弛,削弱,最终藻酸盐链单元之间的键的总塌陷。 (c)2018 Wiley期刊,Inc.J生物保解率A型B:苹果生物摩特,107B:223-231,2019。

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