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by Keyword: dftb3

Tampieri, F, Espona-Noguera, A, Labay, C, Ginebra, MP, Yusupov, M, Bogaerts, A, Canal, C, (2023). Does non-thermal plasma modify biopolymers in solution? A chemical and mechanistic study for alginate Biomaterials Science 11, 4845-4858

The mutual interaction between reactive species generated by non-thermal plasma and biopolymers in solution causes oxidative modifications that can have an impact in biomedical applications.

JTD Keywords: atmospheric plasma, cellulose, dftb3, gas, oxidation, parameterization, simulations, water, Molecular-dynamics

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