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Conformation of Poly(Styrene-Maleic Anhydride) at different pH Values: Formation of Nanorods in Solution

机译:不同pH值下聚(苯乙烯 - 马来酸酐)的构象:溶液中纳米棒的形成

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In this study, the association of poly(styrene-maleic anhydride) (SMA) is characterised by theoretical methods (quantum mechanical and molecular mechanical) and experimental methods (cryo-TEM and Neutron Reflectivity). The theoretical study showed that the polymer at pH3 and 12 has a helical conformation which does not allow any ordered association between the chains. The conformation at pH7 is linear and allows a large ordered association between the chains. The most stable conformation obtained for the association is a tubular structure containing mainly hydrophobic groups inside the tube and mainly hydrophilic groups on the exterior surface of the tube. This association was confirmed experimentally by cryo-TEM and this method verified the tubular structure of the association. Neutron Reflectivity experiments were performed to understand the equilibrium between the conformation of SMA at pH7 at the air-water interface and in solution. These experiments showed that the association has an effect on the conformation of SMA at the air-water interface but not on the ordering of the molecules at the interface.
机译:在该研究中,聚(苯乙烯 - 马来酸酐)(SMA)的缔合的特征在于理论方法(量子机械和分子机械)和实验方法(Cryo-TEM和中子反射率)。理论研究表明,PH3和12处的聚合物具有螺旋形构象,其不允许链之间的任何有序关联。 PH7的构象是线性的,允许链之间的大有序关联。用于关联获得的最稳定的构象是管状结构,其主要包含管内的疏水基团,主要是管的外表面上的亲水基团。通过Cryo-TEM通过实验确认该协会,该方法验证了该协会的管状结构。进行中子反射率实验以了解在空气 - 水界面和溶液中PH7在PH7的SMA构象之间的平衡。这些实验表明,该关联对空气界面处的SMA构象有影响,但不对界面处的分子的排序。

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