Date of Award


Degree Type


Degree Name

Master of Science (MS)


Biomedical and Chemical Engineering


Shikha Nangia


Treating biofilm infections on medical implants is a significant healthcare challenge, often requiring device removal and potentially leading to amputations. This study investigates the efficacy of biocompatible peptoids as a novel strategy to combat these infections. This study employs atomistic simulations and small-angle X-ray scattering to investigate the self-assembly behavior of four peptoid sequences (TM1, TM4, TM6, TM22). Peptoids forming supramolecular assemblies display enhanced complexation with polyanionic microgels, promising for antimicrobial coatings on implantable devices. Atomistic simulations and experimental data analysis reveal a strong link between peptoid sequence, hydrophobicity, and propensity for self-assembly. The highly hydrophobic TM4 forms large multimeric bundles, while the less hydrophobic TM22, lacking aromatic rings, remains monomeric. TM1 and TM6 exhibit intermediate assembly into multimers due to aromatic rings. This study highlights the potential of computational design for engineering peptoid-based antimicrobial biomaterials to combat device-related infections.


Open Access



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