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Prediction of solvent-induced morphological changes of polyelectrolyte diblock copolymer micelles

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      Abstract

      A comprehensive set of data is obtained with the utilization of ISIS DPD model to construct the phase diagram of amphiphilic polyelectrolyte diblock copolymers in aqueous solution.

      Abstract

      Self-assembly processes of polyelectrolyte block copolymers are ubiquitous in industrial and biological processes; understanding their physical properties can also provide insights into the design of polyelectrolyte materials with novel and tailored properties. Here, we report systematic analysis on how the ionic strength of the solvent and the length of the polyelectrolyte block affect the self-assembly and morphology of the polyelectrolyte block copolymer materials by constructing a salt-dependent morphological phase diagram using an implicit solvent ionic strength (ISIS) method for dissipative particle dynamics (DPD) simulations. This diagram permits the determination of the conditions for the morphological transition into a specific shape, namely vesicles or lamellar aggregates, wormlike/cylindrical micelles, and spherical micelles. The scaling behavior for the size of spherical micelles is predicted, in terms of radius of gyration ( R g,m) and thickness of corona ( H corona), as a function of solvent ionic strength ( c s) and polyelectrolyte length ( N A), which are R g,mc s −0.06 N A 0.54 and H coronac s −0.11 N A 0.75. The simulation results were corroborated through AFM and static light scattering measurements on the example of the self-assembly of monodisperse, single-stranded DNA block-copolynucleotides (polyT50- b-F-dUTP). Overall, we were able to predict the salt-responsive morphology of polyelectrolyte materials in aqueous solution and show that a spherical–cylindrical–lamellar change in morphology can be obtained through an increase in solvent ionic strength or a decrease of polyelectrolyte length.

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      Fast Parallel Algorithms for Short-Range Molecular Dynamics

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        Die Berechnung optischer und elektrostatischer Gitterpotentiale

         P. P. Ewald (1921)
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          Stimuli-responsive nanocarriers for drug delivery.

          Spurred by recent progress in materials chemistry and drug delivery, stimuli-responsive devices that deliver a drug in spatial-, temporal- and dosage-controlled fashions have become possible. Implementation of such devices requires the use of biocompatible materials that are susceptible to a specific physical incitement or that, in response to a specific stimulus, undergo a protonation, a hydrolytic cleavage or a (supra)molecular conformational change. In this Review, we discuss recent advances in the design of nanoscale stimuli-responsive systems that are able to control drug biodistribution in response to specific stimuli, either exogenous (variations in temperature, magnetic field, ultrasound intensity, light or electric pulses) or endogenous (changes in pH, enzyme concentration or redox gradients).
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            Author and article information

            Affiliations
            [1 ]Department of Materials Science and Engineering
            [2 ]North Carolina State University
            [3 ]Raleigh, USA
            [4 ]Department of Mechanical Engineering and Materials Science
            [5 ]Duke University
            [6 ]Durham, USA
            [7 ]Department of Biomedical Engineering
            Journal
            SMOABF
            Soft Matter
            Soft Matter
            Royal Society of Chemistry (RSC)
            1744-683X
            1744-6848
            2015
            2015
            : 11
            : 42
            : 8236-8245
            10.1039/C5SM01742D
            © 2015
            Product
            Self URI (article page): http://xlink.rsc.org/?DOI=C5SM01742D

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