Predicting Monomers for Use in Polymerization‐Induced Self‐Assembly

Foster, Jeffrey C.; Varlas, Spyridon; Couturaud, Benoît; Jones, Joseph R.; Keogh, Robert A.; Mathers, Robert T.; O’Reilly, Rachel K.

doi:10.1002/ange.201809614

Cited by 27 publications

(23 citation statements)

References 31 publications

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“…1), which describes the free energy (ΔG transfer ) required to transfer a molecule from water to octanol 44 , this strategy underscores the important role of SA rather than volume 45 . Consequently, LogP(SA) −1 values have provided a molecular level strategy to predict solubility and structure for applications involving crystallization driven selfassembly (CDSA) and polymerization induced self-assembly (PISA) [46][47][48] .…”

Section: Resultsmentioning

confidence: 99%

Ranking environmental degradation trends of plastic marine debris based on physical properties and molecular structure

2020

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As plastic marine debris continues to accumulate in the oceans, many important questions surround this global dilemma. In particular, how many descriptors would be necessary to model the degradation behavior of ocean plastics or understand if degradation is possible? Here, we report a data-driven approach to elucidate degradation trends of plastic debris by linking abiotic and biotic degradation behavior in seawater with physical properties and molecular structures. The results reveal a hierarchy of predictors to quantify surface erosion as well as combinations of features, like glass transition temperature and hydrophobicity, to classify ocean plastics into fast, medium, and slow degradation categories. Furthermore, to account for weathering and environmental factors, two equations model the influence of seawater temperature and mechanical forces.

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Section: Resultsmentioning

confidence: 99%

Ranking environmental degradation trends of plastic marine debris based on physical properties and molecular structure

2020

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“…For example, we demonstrated that surface area-normalized log P oct (log P oct /SA) values provided predictive information to guide the selection of corona- and core-forming monomers for polymerization-induced self-assembly (PISA) using either reversible addition–fragmentation chain transfer (RAFT) polymerization or ring-opening metathesis polymerization (ROMP). 24 , 25 Log P oct /SA was also used effectively as a tool to optimize solvent selection for crystallization-driven self-assembly (CDSA) of P( l -lactic acid) (PLLA)-based block copolymers. 26 In order to further benefit from the advantages of using this computational tool to dramatically reduce experimental workload, we postulated that it could be exploited to relate polymer chemical structure to T CP .…”

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Grafting Density Governs the Thermoresponsive Behavior of P(OEGMA-co-RMA) Statistical Copolymers

et al. 2020

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Thermoresponsive copolymers that exhibit a lower critical solution temperature (LCST) have been exploited to prepare stimuli-responsive materials for a broad range of applications. It is well understood that the LCST of such copolymers can be controlled by tuning molecular weight or through copolymerization of two known thermoresponsive monomers. However, no general methodology has been established to relate polymer properties to their temperature response in solution. Herein, we sought to develop a predictive relationship between polymer hydrophobicity and cloud point temperature ( T CP ). A series of statistical copolymers were synthesized based on hydrophilic oligoethylene glycol monomethyl ether methacrylate (OEGMA) and hydrophobic alkyl methacrylate monomers and their hydrophobicity was compared using surface area-normalized partition coefficients (log P oct /SA). However, while some insight was gained by comparing T CP and hydrophobicity values, further statistical analysis on both experimental and literature data showed that the molar percentage of comonomer (i.e., grafting density) was the strongest influencer of T CP , regardless of the comonomer used. The lack of dependence of T CP on comonomer chemistry implies that a broad range of functional, thermoresponsive materials can be prepared based on OEGMA by simply tuning grafting density.

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“…[ 14‐17 ] Over the last decades, polymerization‐induced self‐assembly (PISA), which is carried out in concentrated polymer solution in one pot, has been demonstrated to be a powerful strategy for the fabrication of vesicles. [ 18‐37 ] Although the size and size distributions of polymeric vesicles are significant, regulation of vesicular size via either the traditional approach or the PISA strategy is rarely reported. [ 38‐40 ] Yuan and coworkers reported synthesis of vesicles with controllable size by PISA via topological engineering of amphiphilic polymer.…”

Section: Background and Originality Contentmentioning

confidence: 99%

Synchronous Synthesis of Polymeric Vesicles with Controllable Size and Low‐Polydispersity by Polymerization‐Induced Self‐Assembly

et al. 2021

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Comprehensive Summary The size and size distribution of polymeric nanoparticles have great impact on their physicochemical and biological properties. Polymerization‐induced self‐assembly (PISA) has been demonstrated to be an efficient method to fabricate various polymeric nanoparticles, among which polymeric vesicles have attracted great interest due to their unique hollow structure. However, polymeric vesicles with relatively broad size distributions and random size are normally formed, which is problematic for many potential applications. Herein, we report the synthesis of polymeric vesicles with low‐polydispersity and controllable size by polymerization‐induced self‐assembly. A mixed macro RAFT agent of three different poly(ethylene glycol) (PEGm‐CPADB) was used to mediate the RAFT dispersion copolymerization of 7‐(2‐methacryloyloxyethoxy)‐4‐methylcoumarin (CMA) and benzyl methacrylate (BzMA), which generated vesicles with low‐polydispersity (< 0.1) and controllable size in the scope of sub‐100 nm. In comparison, RAFT dispersion copolymerization of CMA and BzMA using a single PEG‐CPADB as the macro RAFT agent generated vesicles with adjustable but obviously larger size and broader size distributions (> 0.1). The results demonstrate that the ternary stabilizers play a crucial role in the formation of small and low‐polydispersity vesicles.

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Predicting Monomers for Use in Polymerization‐Induced Self‐Assembly

Cited by 27 publications

References 31 publications

Ranking environmental degradation trends of plastic marine debris based on physical properties and molecular structure

Ranking environmental degradation trends of plastic marine debris based on physical properties and molecular structure

Grafting Density Governs the Thermoresponsive Behavior of P(OEGMA-co-RMA) Statistical Copolymers

Synchronous Synthesis of Polymeric Vesicles with Controllable Size and Low‐Polydispersity by Polymerization‐Induced Self‐Assembly

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