Polyethylene glycol aggregates in water formed through hydrophobic helical structures

Azri, Aziz; Giamarchi, Philippe; Grohens, Yves; Olier, R.; Privat, Mireille

doi:10.1016/j.jcis.2012.04.025

Cited by 42 publications

(50 citation statements)

References 42 publications

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“…concentrations with values for the CMC with PEG/without PEG all below 1. Although PEG is known to self-aggregate under certain conditions [18], it is not believed to be the process being observed in these studies with the use of low concentrations (0.2 mmol/kg) and a high molecular weight PEG. A more plausible explanation is the observance of hydrophobic interactions between SDS and PEG leading to the formation of a stable complex, similar to that previously reported in literature [19].…”

Section: Methodsmentioning

confidence: 89%

Thermodynamics of micellisation: Sodium dodecyl sulfate/sodium deoxycholate with polyethylene glycol and model drugs

Waters

Hussain

Parkes

2014

The Journal of Chemical Thermodynamics

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Variations in the critical micelle concentration (CMC) have been determined for sodium dodecyl sulfate and sodium deoxycholate (NaDC) in the presence of five drugs and polyethylene glycol (PEG) at 298.2, 304.2 and 310.2 K. From these data, thermodynamic parameters associated with the micellisation process (∆G mic , ∆H mic and ∆S mic ) were calculated. In the presence of some drug-based compounds the CMC of SDS was affected, for example the presence of PEG dramatically reduced the CMC in all cases. Furthermore, PEG appeared to reduce the enthalpy of micellisation for all scenarios with only comparatively minor variations in the change in Gibbs free energy for the processes observed. For NaDC, the calorimetric results were far less predictable. A primary aggregation event recorded at a comparatively low concentration failed to appear for NaDC in the presence of a secondary compound, such as a drug or PEG. For NaDC, the presence of PEG had little effect on the CMC and corresponding thermodynamic data.

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Section: Methodsmentioning

confidence: 89%

Thermodynamics of micellisation: Sodium dodecyl sulfate/sodium deoxycholate with polyethylene glycol and model drugs

Waters

Hussain

Parkes

2014

The Journal of Chemical Thermodynamics

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“…showed the change in the molecular structure of PEG from helical to complex aggregated, by analyzing the linear viscoelastic properties of PEG(600) in semidilute and concentrated aqueous solutions at different temperatures. The formation of the helical structure of the PEG molecule with hydrophobic domains was confirmed not only experimentally, but also theoretically by performing molecular dynamics simulations of a single PEG molecule of different lengths in water by using the Amber03 force field. Both of the studies have reported that the structural arrangement of PEG is caused by the existence of hydrogen bonds between PEG and water molecules.…”

Section: Introductionmentioning

confidence: 83%

“…On the other hand, there is a lack of detailed description of its properties and fundamental interactions in various environments. Recently, Azri et al . have examined the structure of the PEG(600) molecule in dilute aqueous solutions by using surface‐tension‐ and fluorescence‐excitation‐based experiments.…”

Section: Introductionmentioning

confidence: 99%

Intramolecular Hydrogen Bonds in Low‐Molecular‐Weight Polyethylene Glycol

2016

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We used static DFT calculations to analyze, in detail, the intramolecular hydrogen bonds formed in low-molecular-weight polyethylene glycol (PEG) with two to five repeat subunits. Both red-shifted O-H⋅⋅⋅O and blue-shifting C-H⋅⋅⋅O hydrogen bonds, which control the structural flexibility of PEG, were detected. To estimate the strength of these hydrogen bonds, the quantum theory of atoms in molecules was used. Car-Parrinello molecular dynamics simulations were used to mimic the structural rearrangements and hydrogen-bond breaking/formation in the PEG molecule at 300 K. The time evolution of the H⋅⋅⋅O bond length and valence angles of the formed hydrogen bonds were fully analyzed. The characteristic hydrogen-bonding patterns of low-molecular-weight PEG were described with an estimation of their lifetime. The theoretical results obtained, in particular the presence of weak C-H⋅⋅⋅O hydrogen bonds, could serve as an explanation of the PEG structural stability in the experimental investigation.

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“…Therefore, the PEG linker might also minimize ionic interactions with the membrane preventing an accumulation on the cell membrane or enhances conformational changes of the integrin and thus, promote internalization. It also can be envisaged that upon binding of PEGylated peptide its local concentration increases initiating self‐assembly and thus, creating a multivalent ligand . Despite the uncertainties as to why PEGylation induces integrin‐mediated internalization, these results question whether multivalency is the ultimate prerequisite for integrin‐mediated endocytosis.…”

Section: Methodsmentioning

confidence: 99%

Size‐Dependent Cellular Uptake of RGD Peptides

et al. 2019

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Monomeric RGD peptides show unspecific fluid‐phase uptake in cells, whereas multimeric RGD peptides are thought to be internalized by integrin‐mediated endocytosis. However, a potential correlation between uptake mechanism and molecular mass has been neglected so far. A dual derivatization of peptide c(RGDw(7Br)K) was performed to investigate this. A fluorescent probe was installed by chemoselective Suzuki–Miyaura cross‐coupling of the 7‐bromotryptophan and a poly(ethylene glycol) (PEG) linker was attached to the lysine residue. Flow cytometry and live cell imaging confirmed unspecific uptake of the small, non‐PEGylated peptide, whereas the PEG5000 peptide conjugate unveiled a selective internalization by M21 cells overexpressing αvβ3 and no uptake in αv‐deficient M21L cells.

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Polyethylene glycol aggregates in water formed through hydrophobic helical structures

Cited by 42 publications

References 42 publications

Thermodynamics of micellisation: Sodium dodecyl sulfate/sodium deoxycholate with polyethylene glycol and model drugs

Thermodynamics of micellisation: Sodium dodecyl sulfate/sodium deoxycholate with polyethylene glycol and model drugs

Intramolecular Hydrogen Bonds in Low‐Molecular‐Weight Polyethylene Glycol

Size‐Dependent Cellular Uptake of RGD Peptides

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