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Identification of Some New Triply Periodic Mesophases from Molten Block Copolymers.

ABSTRACT: Using field-theoretic simulations based on a self-consistent field theory (SCFT) with or without finite compressibility, nanoscale mesophase formation in molten linear AB and ABC block copolymers is investigated in search of candidates for new and useful nanomaterials. At selected compositions and segregation strengths, the copolymers are shown to evolve into some new nanostructures with either unusual crystal symmetry or a peculiar morphology. There exists a holey layered morphology with Im3 symmetry, which lacks one mirror reflection compared with Im3m symmetry. Also, a peculiar cubic bicontinuous morphology, whose channels are connected with tetrapod units, is found to have Pn3m symmetry. It is shown that there is another network morphology with tripod connections, which reveals P432 symmetry. The optimized free energies of these new mesophases and their relative stability are discussed in comparison with those of double gyroids and double diamonds.

SUBMITTER: Cho J

PROVIDER: S-EPMC6631806 | biostudies-other | 2019 Jun

REPOSITORIES: biostudies-other

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Identification of Some New Triply Periodic Mesophases from Molten Block Copolymers.

Cho Junhan J

Polymers 20190625 6

Using field-theoretic simulations based on a self-consistent field theory (SCFT) with or without finite compressibility, nanoscale mesophase formation in molten linear AB and ABC block copolymers is investigated in search of candidates for new and useful nanomaterials. At selected compositions and segregation strengths, the copolymers are shown to evolve into some new nanostructures with either unusual crystal symmetry or a peculiar morphology. There exists a holey layered morphology with Im3 sy ...[more]

PMID: 31242598

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Project description:New molecular motifs that can act as pH-regulating triggers for amphiphilic, pH-sensitive block copolymers are investigated. Inspired by the mechanism of action of pH-indicators, such as methyl orange, and natural amino acids, we designed these copolymers where either 4-Amino-4'-dimethylaminoazobenzene, AZB (pKa 3.4, an amine derivative of methyl orange), isoleucine, Ile (pKa 2.37 for carboxylic acid), or a statistical mixture of both were appended as side chains to the hydrophobic block to act as pH-triggers. These new side chain motifs were identified with an aim to enhance the self-assembling properties of the block copolymers in terms of particle size and stability, drug encapsulation, and release. As the parent polymer, poly (ethylene) glycol-block- poly (carbonate) (PEG-b-PC) of number average molecular weight 12.1 kDa was used. We observed that PEG-b-PC block copolymers, when engineered with AZB or Ile-type of pH-regulators appended as side chains to PC blocks, formed self-assembled, spherical nanoparticles with hydrodynamic diameters ranging from 114 to 137 nm depending on copolymer composition. Critical aggregation concentrations (CAC) of the block copolymers were found to be governed by the type and content of side chains. We explored the use of these newly designed block copolymer assemblies as drug carriers using gemcitabine (GEM) as a model cytotoxic drug generally used for pancreatic ductal adenocarcinoma (PDAC). We showed that AZB and Ile decorated copolymeric nanocarriers were able to encapsulate GEM at 13.8-28.8 % loading content and release the drug in a pH-dependent pattern. Drug-loaded nanocarriers showed cellular entry into PDAC cells in vitro and were found to exert cytotoxicity against these cells. Neither the block copolymers bearing AZB or Ile-type pH-responsive triggers, nor their self-assembled nanoparticles showed any cytotoxicity at usable concentrations, thereby reflecting the potentials of these molecular motifs for designing stimuli-responsive drug delivery nanosystems.

Dataset Information

Identification of Some New Triply Periodic Mesophases from Molten Block Copolymers.

Publications

Identification of Some New Triply Periodic Mesophases from Molten Block Copolymers.

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