Sökning: "konvergens av jämviktstidskalor"

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1. 1. Structure and Dynamics of Hydrated Biopolymers

   Författare :Poornima Ramamohan; Jakob Wohlert; Istvan Furo; Fritjof Nilsson; KTH; []
   Nyckelord :Hydrated Polysaccharides; Molecular Dynamics Simulations; Structure-Function Properties; Convergence of Equilibrium Timescales; Chemical Heterogeneity; Hydrerade polysackarider; molekylära dynamiksimuleringar; struktur- funktionsegenskaper; konvergens av jämviktstidskalor; kemisk heterogenitet; Fiber- och polymervetenskap; Fibre and Polymer Science;

   Sammanfattning : Hydrated polysaccharide systems primarily using xylans along with mutans and alternans were studied using long atomistic simulations over a few microseconds to analyse structure-function relationships and nanoscale interactions with moisture. The influence of various structural and chemical factors such as alignment, nature of glycosidic linkage, effect of moisture / chemical substitutions was explored with a focus on structure-dynamics correlations to aid in the effective functionalisation of biomaterials for the development of a green, circular bioeconomy. LÄS MER