Directing nanoscale assembly of peptide-containing multiblock polymers

在这个由化学部大分子、超分子和纳米化学项目资助的项目中，特拉华大学的Kristi Kiick教授、Xinqiao Jia教授和Christopher Roberts教授将采用计算、合成和高级表征方法相结合的方法来阐明肽聚合物纳米结构组装的分子设计规则。粗粒度的计算模型将用于揭示各种结构相关肽的结合行为的分子细节，无论是单独的还是在不同长度的亲水性聚合物结构域的背景下。分子被指示采用不同的纳米结构组装将被合成。分光光度法、量热法、散射法和显微法的结合将用于表征组装和聚集，并与肽结合的分子细节相关。这项研究将为获得这些新的大分子结构提供新的合成途径，并将建立基于多种可控刺激的控制组装的规则。更广泛的影响包括对研究生和本科生进行广泛的多学科培训，参与特拉华大学工程学院K-12外展计划（包括在该基础设施内创建新的活动），以及对聚合肽偶联物组装的基本理解所带来的潜在社会效益。多肽是化学上连接的氨基酸链，是蛋白质的组成部分。这项工作将扩大化学的范围，可以用来创造新的大分子，模仿天然生物材料，并将导致更好地理解肽如何聚集成更大的结构。这种聚集现象与生物制药的失活和神经退行性疾病的进展有关。这项研究可能在医学、药物加工和纳米技术方面有长期的应用。

In this project funded by the Macromolecular, Supramolecular and Nanochemistry Program of the Chemistry Division, Professors Kristi Kiick, Xinqiao Jia, and Christopher Roberts of the University of Delaware will employ a combination of computational, synthetic, and advanced characterization methods to elucidate the molecular design rules for the assembly of peptide-polymer nanostructures. Coarse-grained computational models will be used to reveal the molecular details of the association behavior of various structurally relevant peptides, both alone and in the context of hydrophilic polymer domains of various lengths. Molecules that are indicated to adopt diverse nanostructured assemblies will be synthesized. A combination of spectrophotometric, calorimetric, scattering, and microscopy methods will be used to characterize assembly and aggregation, with correlation to the molecular details of the peptide association. This research will provide new synthetic pathways to access these novel macromolecular structures and will establish the rules that govern assembly on the basis of multiple and controllable stimuli. The broader impacts involve broad, multidisciplinary training of graduate and undergraduate students, participation in the University of Delaware College of Engineering K-12 Outreach Program (including the creation of new activities within this infrastructure), and the potential societal benefits of a fundamental understanding of the assembly of polymer-peptide conjugates.Peptides are chains of chemically linked amino acids and are the components of proteins. This work will expand the repertoire of chemistry that can be used to create new large molecules that mimic natural biomaterials and will lead to a better understanding of how peptides aggregate into larger structures. Such aggregation phenomena are linked to the inactivation of biopharmaceuticals and the progression of neurodegenerative diseases. This research could have long term applications in medicine, pharmaceutical processing, and nanotechnology.