Water soluble, biodegradable amphiphilic polymeric nanoparticles and the molecular environment of hydrophobic encapsulates: Consistency between simulation and experiment

Miller, Robert D.; Yusoff, Rosmadi Mohd; Swope, William C.; Rice, Julia E.; Carr, Amber C.; Parker, Amanda; Sly, Joseph; Appel, Eric A.; Nguyen, Timothy T.; Piunova, Victoria A.

doi:10.1016/j.polymer.2015.10.008

Cited by 9 publications

(16 citation statements)

References 46 publications

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“…In D 2 O, cross-linked caprolactone nanogel core, VL 23 and VL 11 - t BuCL 10 blocks become insoluble and collapse . Representative SANS data of n Gel-( d -EG 114 ) f , n Gel-(EG 114 ) f , n Gel-(VL 23 -EG 114 ) f , and n Gel-(VL 11 - t BuCL 10 -EG 114 ) f before and after drug encapsulated are displayed in Figure .…”

Section: Resultsmentioning

confidence: 99%

“…Nanogel-core star polymers were synthesized and characterized as reported previously. 12 The synthetic conditions for the cross-linked caprolactone nanogel-core preparation were kept constant in order to achieve core structures and average number of arms fixed. Inhibitorfree tetrahydrofuran (THF) was purchased from Sigma-Aldrich.…”

Section: ■ Materials and Methodsmentioning

confidence: 99%

“…25 Similarly, nuclear magnetic resonance spectra found water does not solvate VL. 12 Based on these, no solvent of D 2 O was allowed ( f solv = 0) to swell the core during SANS model fit. Several alternative analytic SANS models are available, 14 and a question may be raised regarding the curve fitting uniqueness.…”

Section: ■ Materials and Methodsmentioning

confidence: 99%

“…MD simulations of methoxypoly(ethylene glycol)- block -polycaprolactone (MePEG- b -PCL) found the PCL core excludes water . Similarly, nuclear magnetic resonance spectra found water does not solvate VL . Based on these, no solvent of D 2 O was allowed ( f solv = 0) to swell the core during SANS model fit.…”

Section: Methodsmentioning

confidence: 99%

“…One approach to decouple the polymer micelle aggregation characteristics and solute loading is to use a covalently bonded polymer nanoparticle. Recent synthetic advancements have led to increased interest in star and branched polymers as micelle replacements. − Nanogel-core star polymers offer a covalently cross-linked core surrounded by water-soluble radiating arms. − The cross-linked nanogel core is hydrophobic, and additional hydrophobic segments are incorporated via blocks on the star arms with outermost hydrophilic segments providing stabilized nanostructures in water. Since this covalently assembled macromolecule does not have a critical micelle concentration, upon infinite dilution under delivery conditions it will not revert to unimers like block copolymer micelles.…”

Section: Introductionmentioning

confidence: 99%

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Spatial Distribution of Hydrophobic Drugs in Model Nanogel-Core Star Polymers

et al. 2017

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Star polymers with a cross-linked nanogel core are promising carriers of cargo for therapeutic applications due to the synthetic control of amphiphilicity of arms and stability at infinite dilution. Three nanogel-core star polymers were investigated to understand how the arm-block chemical structure controls loading efficiency of a model drug, ibuprofen, and its spatial distribution. The spatial distribution profiles of hydrophobic core, hydrophilic corona, and encapsulated drug were determined by small-angle neutron scattering (SANS). SANS provides the nanometer-scale sensitivity to determine how the arm-block chemistry enhances the sequestering of ibuprofen. Validated molecular dynamics simulations capture the trends in drug profile and polymer segment distribution with further details on drug orientation distribution. This work provides a basis to study structure-function relationships in macromolecular-based carriers of cargo and represents a path toward validated and predictive simulation.

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Section: Resultsmentioning

confidence: 99%

Section: ■ Materials and Methodsmentioning

confidence: 99%

Section: ■ Materials and Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Spatial Distribution of Hydrophobic Drugs in Model Nanogel-Core Star Polymers

et al. 2017

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Using Nucleobase Pairing as Supermolecule Linker to Assemble the Bionic Copolymer Nanoparticles with Small Size

Zhao

Deng

Feng

et al. 2016

Macro Chemistry & Physics

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The specificity hydrogen bonds of nucleobase pairs are the main linker in DNA and RNA. Compared with conventional covalent‐linking polymer to prepare nanoparticles (NPs), nucleobase pairs as supermolecule linker to assemble the bionic copolymer NPs may be an innovative way. Adenine (A) modified poly(ε‐caprolactone) and thymine (T) modified poly(ethylene glycol) are prepared to assemble multiple hydrogen bonds linked NPs in situ. The introduction of multiple hydrogen bonds into NPs results in a unique method to prepare NPs replacing the conventional assemble method. These NPs exhibit narrow size distribution with the average diameter of 45 nm under pH 7.4. The chemical shift of T NH proton moves from 11.30 to 11.05 ppm with increasing temperature from 25 to 80 °C, and the same phenomenon also appears in A NH2 proton resonance, which demonstrate the existence of hydrogen bonds. The low cytotoxicity of NPs is confirmed by MTT assay using MCF7 tumor cells. Collectively, the novel method opens the possibilities to combine bionics in assembling small size nanoparticles.

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Inorganic Dissolvable Bioelectronics

Cheng

2020

Interfacing Bioelectronics and Biomedical Sensing

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Water soluble, biodegradable amphiphilic polymeric nanoparticles and the molecular environment of hydrophobic encapsulates: Consistency between simulation and experiment

Cited by 9 publications

References 46 publications

Spatial Distribution of Hydrophobic Drugs in Model Nanogel-Core Star Polymers

Spatial Distribution of Hydrophobic Drugs in Model Nanogel-Core Star Polymers

Using Nucleobase Pairing as Supermolecule Linker to Assemble the Bionic Copolymer Nanoparticles with Small Size

Inorganic Dissolvable Bioelectronics

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