Effects of dynamics of water molecules at hydrophilic polymer brush surfaces on protein adsorption behavior

Inoue, Kazuomi; Inoue, Yasuo; Ishihara, Kazuhíko

doi:10.14723/tmrsj.37.333

Cited by 3 publications

(1 citation statement)

References 19 publications

(26 reference statements)

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“…The most important criteria of polymer use in biomedical applications, partially as drug delivery [ 1 , 2 , 3 , 4 , 5 , 6 ], are their biocompatibility, as well as the ability to absorb them and form complexes of different kinds. Water adsorption precedes the adsorption of a synthetic polymer with proteins when it reaches a living organism, and the presence and state of water on a polymer surface may affect or even determine its biocompatibility [ 7 , 8 , 9 , 10 , 11 , 12 , 13 , 14 , 15 , 16 ]. One believes that hydrated polymers are able to participate in reactions of a complex formation with drugs via the associated water [ 17 ].…”

Section: Introductionmentioning

confidence: 99%

Structure and State of Water in Branched N-Vinylpyrrolidone Copolymers as Carriers of a Hydrophilic Biologically Active Compound

et al. 2020

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Hydrated copolymers of N-vinylpyrrolidone (VP) with triethylene glycol dimethacrylate as a promising platform for biologically active compounds (BAC) were investigated by different physical chemical methods (dynamic light scattering, infrared spectroscopy, thermal gravimetric analysis, and differential scanning calorimetry) and the quantum chemical modeling of water coordination by the copolymers in a solution. According to the quantum chemical simulation, one to two water molecules can coordinate on one O-atom of the lactam ring of VP units in the copolymer. Besides the usual terminal coordination, the water molecule can form bridges to bind two adjacent C=O groups of the lactam rings of VP units. In addition to the first hydration shell, the formation of a second one is also possible due to the chain addition of water molecules, and its structure depends on a mutual orientation of C=O groups. We showed that N,N-dimethylbiguanidine hydrochloride (metformin) as a frontline drug for the treatment of type 2 diabetes mellitus can be associated in aqueous solutions with free and hydrated C=O groups of the lactam rings of VP units in studied copolymers. Based on the characteristics of the H-bonds, we believe that the level of the copolymer hydration does not affect the behavior and biological activity of this drug, but the binding of metformin with the amphiphilic copolymer will delight in the penetration of a hydrophilic drug across a cell membrane to increase its bioavailability.

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Section: Introductionmentioning

confidence: 99%

Structure and State of Water in Branched N-Vinylpyrrolidone Copolymers as Carriers of a Hydrophilic Biologically Active Compound

et al. 2020

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Analysis of the Interaction between a Protein and Polymer Membranes Using Steered Molecular Dynamics Simulation to Interpret the Fouling Behavior

Mieda

2020

Bulletin of the Chemical Society of Japan

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In this study, I aimed to interpret fouling phenomena by calculating water mobility and absorption free energy of four types of polymer membranes. Although water mobility could partially represent the experimental interaction forces, it was difficult to estimate the fouling phenomena using only this index. However, the free energies computed using steered molecular dynamic simulations could estimate the experimental results quantitatively. In addition to the interaction energies, detailed interaction analyses of protein desorption from the polymer membrane were required to predict protein absorption. The series of computational analyses undertaken here would serve as a handy tool to predict the fouling ability of proteins and polymer membranes.

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Water-Soluble Polymer Brush Structure for Biomedical Surface

Inoue¹

2013

KOBUNSHI RONBUNSHU

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Water-soluble polymer brush surfaces with different chemical structures were synthesized by surface-initiated atom transfer radical polymerization (SI-ATRP). More than 40% of the substrate surface was covered with grafted polymer chains. The adsorbed amount of proteins depended on the chemical structure of polymer brush surface, and was determined by the direct interaction between proteins and surfaces. The interaction force was related to the mobility of water molecules, and the interaction between proteins and surface decreased with increasing mobility of water molecules. The well-defined polymer brush surface with water-soluble polymer chains could used as a platform to construct a model interface that could regulate bio-reactions. Furthermore, they could clarify the dynamic surface properties of materials and could control bio-reactions. This study has the potential to a novel surface science to understand the biological responses from a physicochemical viewpoint.

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Effects of dynamics of water molecules at hydrophilic polymer brush surfaces on protein adsorption behavior

Cited by 3 publications

References 19 publications

Structure and State of Water in Branched N-Vinylpyrrolidone Copolymers as Carriers of a Hydrophilic Biologically Active Compound

Structure and State of Water in Branched N-Vinylpyrrolidone Copolymers as Carriers of a Hydrophilic Biologically Active Compound

Analysis of the Interaction between a Protein and Polymer Membranes Using Steered Molecular Dynamics Simulation to Interpret the Fouling Behavior

Water-Soluble Polymer Brush Structure for Biomedical Surface

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