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首页> 外文期刊>Acta biomaterialia >Oligomer adsorption on dry and wet collagen surfaces.
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Oligomer adsorption on dry and wet collagen surfaces.

机译：低聚物吸附在干燥和湿润的胶原蛋白表面上。

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The development of new biodegradable polymeric tissue adhesives has been almost stagnant for the past 10 years, primarily due to the inability to overcome the problem of inadequate adhesion properties. Efforts at the synthesis and modification of chemical structures by incorporating functional groups have proven futile. This study proposes using simulation as a preliminary move to obtain a better understanding of adsorption behavior on biological tissues. It is hoped that this understanding will subsequently serve as a guide for better polymer design and synthesis. Adsorption under both dry and wet conditions were simulated applying classical molecular mechanics and dynamics (MM/MD) because of their relevancy and efficiency. Twelve types of oligomers and a model collagen surface were constructed, followed by structural optimization and equilibration treatments. The COMPASS force field was used to describe the molecular potential energy surfaces. One strand of the oligomer was then located on top of the collagen surface and their interactions at equilibrium, in terms of van der Waals (vdW) and electrostatic energies, monitored over time. For the wet environment a thick water layer was constructed and placed on top of the oligomer and collagen surface. The results showed that the vdW component dominated physical adsorption for all oligomers, under both dry and wet conditions. This implies that interactions of polymers with tissue surfaces are inherently weak. Functional groups on oligomers could improve adhesion via electrostatic interaction. This interaction is, however, screened off in a wet environment, resulting in a reduction in the adsorption energy for all molecules studied. Of all the oligomers studied, poly(glycine) showed the strongest adsorption to collagen in both dry and wet conditions. Therefore, it is proposed to include the functional groups present in poly(glycine) in future tissue adhesive systems.
机译：在过去的十年中，新的可生物降解的聚合物组织粘合剂的发展几乎停滞不前，这主要是由于无法克服粘合性能不足的问题。通过结合官能团来合成和修饰化学结构的努力已被证明是徒劳的。这项研究建议使用模拟作为初步举措，以更好地了解生物组织上的吸附行为。希望这种理解将为更好的聚合物设计和合成提供指导。由于它们的相关性和效率，使用经典的分子力学和动力学（MM / MD）模拟了在干燥和潮湿条件下的吸附。构造了十二种类型的低聚物和模型胶原表面，然后进行结构优化和平衡处理。 COMPASS力场用于描述分子势能面。然后将一股低聚物置于胶原蛋白表面的顶部，并根据范德华力（vdW）和静电能平衡地监测它们的相互作用，并随时间推移进行监测。对于潮湿的环境，要构建厚的水层，并将其放置在低聚物和胶原蛋白表面的顶部。结果表明，在干燥和湿润条件下，vdW组分均对所有低聚物的物理吸附起主导作用。这意味着聚合物与组织表面的相互作用本来就很弱。低聚物上的官能团可通过静电相互作用改善粘附力。但是，这种相互作用在潮湿的环境中被屏蔽掉，导致所有研究分子的吸附能降低。在所有研究的低聚物中，聚（甘氨酸）在干燥和潮湿条件下都表现出对胶原蛋白的最强吸附。因此，提出在未来的组织粘附系统中包括存在于聚（甘氨酸）中的官能团。

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