ArticleThe journal of physical chemistry. B2009
A coarse-grained model for polyethylene oxide and polyethylene glycol: conformation and hydrodynamics.
Article in The journal of physical chemistry. B, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 82 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
82 citing papers in PubMed.
- Crowder-specific modulation of hepatitis C virus NS3/4A protease activity and local structural dynamics.Protein science : a publication of the Protein Society · 2026Article
- Coarse-grained force field parameters for natural product-based small molecules: from structural mapping to pharmaceutical applications.Journal of molecular modeling · 2026Article
- Coarse-Grained Model of the Sodium Dodecyl Sulfate Anionic Surfactant Based on the MDPD-Martini Force Field.Langmuir : the ACS journal of surfaces and colloids · 2026Article
- Effects of Liposome Composition and Size on Protein Corona Formation: Competitive Replacement of Abundant Proteins by High-Affinity Proteins on the Liposome Surface.Advanced healthcare materials · 2026Article
- From Molecular Interactions to Nanocarrier Design: Coarse-Grained Modeling of PEG Self-Assembly and Hindsiilactone Encapsulation.The journal of physical chemistry. B · 2026Article
- Review
- A coarse-grained model for disordered proteins under crowded conditions.Protein science : a publication of the Protein Society · 2025Article
- Study of self-assembly behavior and ionic conductivity of conjugated liquid crystals with T-shaped facial-polyphilic structure.Science advances · 2025Article
- Deformation, Rupture, and Morphology Hysteresis of Copolymer Nanovesicles in Uniform Shear Flow.Langmuir : the ACS journal of surfaces and colloids · 2025Article
- Drug delivery process simulation-Quantifying the conformation dynamics of paclitaxel and cremophor EL.PloS one · 2025Article
- Dynamic Correlation Analysis between Stress-Strain Curve and Polymer Film Structure Using Persistent Homology.Journal of chemical theory and computation · 2024Article
- Hydrogel local drug delivery systems for postsurgical management of tumors:Materials today. Bio · 2024Review
- The molecular basis for hydrodynamic properties of PEGylated human serum albumin.Biophysical journal · 2024Article
- Diffusiophoresis in Polymer and Nanoparticle Gradients.The journal of physical chemistry. B · 2024Article
- Controlling spatial distribution of functional lipids in a supported lipid bilayer prepared from vesicles.Journal of colloid and interface science · 2024Article
- Crosslinker energy landscape effects on dynamic mechanical properties of ideal polymer hydrogels.Materials advances · 2024Article
- Multiscale physics-basedFrontiers in drug delivery · 2024Review
- Role of Ligand Shell Density in the Diffusive Behavior of Nanoparticles in Hydrogels.The journal of physical chemistry. B · 2023Article
- Phase Behavior of Alkyl Ethoxylate Surfactants in a Dissipative Particle Dynamics Model.The journal of physical chemistry. B · 2023Article
- Approaches and Perspective of Coarse-Grained Modeling and Simulation for Polymer-Nanoparticle Hybrid Systems.ACS omega · 2022Review
22 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
Abstract
A coarse-grained (CG) model for polyethylene oxide (PEO) and polyethylene glycol (PEG) developed within the framework of the MARTINI CG force field (FF) using the distributions of bonds, angles, and dihedrals from the CHARMM all-atom FF is presented. Densities of neat low molecular weight PEO agree with experiment, and the radius of gyration R(g) = 19.1 A +/- 0.7 for 76-mers of PEO (M(w) approximately 3400), in excellent agreement with neutron scattering results for an equal sized PEG. Simulations of 9, 18, 27, 36, 44, 67, 76, 90, 112, 135, and 158-mers of the CG PEO (442 < M(w) < 6998) at low concentration in water show the experimentally observed transition from ideal chain to real chain behavior at 1600 < M(w) < 2000, in excellent agreement with the dependence of experimentally observed hydrodynamic radii of PEG. Hydrodynamic radii of PEO calculated from diffusion coefficients of the higher M(w) PEO also agree well with experiment. R(g) calculated from both all-atom and CG simulations of PEO76 at 21 and 148 mg/cm(3) are found to be nearly equal. This lack of concentration dependence implies that apparent R(g) from scattering experiments at high concentration should not be taken to be the chain dimension. Simulations of PEO grafted to a nonadsorbing surface yield a mushroom to brush transition that is well described by the Alexander-de Gennes formalism.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.