Determination of solubility parameters and the related thermodynamic properties of polyvinyl alcohol using inverse gas chromatography and Hansen solubility parameters

Ni, Haiyue; Ren, Shixue; Gui-zhen, Fang; Ma, Yanli

doi:10.3724/sp.j.1123.2016.05015

Cited by 4 publications

(1 citation statement)

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“…To verify the reliability of the Dreiding force field on the current systems, the predicted densities and solubility parameters of PVA and PMVEMA are shown in Table , which also shows the corresponding experimental data and data obtained by other theoretical methods. , In Table , the reference data of pristine PMVEMA were determined using Bicerano’s connectivity indices method implemented with the Synthia module of Materials Studio 6.0, because, to the best of our knowledge, no available related experimental data of PMVEMA exist. For PVA, the predicted density and solubility parameters using the Dreiding force field were very close to the corresponding experimental data listed in Table .…”

Section: Results and Discussionmentioning

confidence: 99%

Ovalbumin-Loaded Gelation Microneedles Made of Predictive Formulation by Molecular Dynamics Simulation for Enhancement of Skin Immunization

Yang

Chen

et al. 2019

ACS Biomater. Sci. Eng.

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Gelation microneedle (GMNs) based vaccinations with tumor antigens have been considered to be an attractive method for transcutaneous immunization because of their superior ability to deliver vaccines through the stratum corneum (SC) in a minimally invasive manner, which subsequently induces adaptive antitumor immunity. In this study, molecular dynamics (MD) uniaxial tension simulations were conducted to predict the formulation of poly(vinyl alcohol) (PVA; possesses high water solubility) and poly(methyl vinyl ether-altmaleic anhydride) (PMVEMA; possesses high mechanical strength) blend that has the strongest mechanical properties. To validate the accuracy of the Dreiding potential for these two polymers, their densities and Hildebrand solubility parameters were first predicted using MD simulations. These values exhibited good agreement with the corresponding experimental results, indicating the accuracy of the Dreiding potential for the polymers. Regarding the simulation results, the number density of H-bonds between PVA and PMVEMA was the highest at 50% PMVEMA, which can significantly enhance the mechanical strength of pristine PVA for enhanced skin immunization. In terms of further experimental validation, evidence from mechanical strength, solubility, in vitro porcine skin penetration tests, and in vivo immunization were consistent with our simulation predictions. In addition, our results indicated that delivery of ovalbumin (OVA) using GMN patches fabricated using PVA/PMVEMA (50%/50%) provided even stronger immune responses. Using this molecular simulation procedure, the optimal fraction of PVA/PMVEMA composite for the strongest mechanical properties can be rapidly predicted to reduce research time and costs in related experiments.

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Section: Results and Discussionmentioning

confidence: 99%

Ovalbumin-Loaded Gelation Microneedles Made of Predictive Formulation by Molecular Dynamics Simulation for Enhancement of Skin Immunization

Yang

Chen

et al. 2019

ACS Biomater. Sci. Eng.

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Solubility Parameters Measurements of 1-Propyl-3-Methyl-Imidazolium-Based Ionic Liquids via Inverse Gas Chromatography and Hansen Solubility Parameter in Practice

Wang

Yalikun

et al. 2021

J Solution Chem

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Constructing high-porosity composite membranes by loading novel CD@DCN in PVDF: Achieving superior permeability and selectivity simultaneously

Zhang,

Wang,

Huo

et al. 2024

Journal of Water Process Engineering

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Determination of solubility parameters and the related thermodynamic properties of polyvinyl alcohol using inverse gas chromatography and Hansen solubility parameters

Abstract: Ｆｏｕｎｄａｔｉｏｎｉｔｅｍ：ＦｕｎｄａｍｅｎｔａｌＲｅｓｅａｒｃｈＦｕｎｄｓｆｏｒｔｈｅＣｅｎｔｒａｌＵｎｉｖｅｒｓｉｔｉｅｓ (Ｎｏ．２５７２０１６ＣＢ０１) ．

Cited by 4 publications

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Ovalbumin-Loaded Gelation Microneedles Made of Predictive Formulation by Molecular Dynamics Simulation for Enhancement of Skin Immunization

Ovalbumin-Loaded Gelation Microneedles Made of Predictive Formulation by Molecular Dynamics Simulation for Enhancement of Skin Immunization

Solubility Parameters Measurements of 1-Propyl-3-Methyl-Imidazolium-Based Ionic Liquids via Inverse Gas Chromatography and Hansen Solubility Parameter in Practice

Constructing high-porosity composite membranes by loading novel CD@DCN in PVDF: Achieving superior permeability and selectivity simultaneously

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Determination of solubility parameters and the related thermodynamic properties of polyvinyl alcohol using inverse gas chromatography and Hansen solubility parameters

Abstract: Ｆｏｕｎｄａｔｉｏｎ ｉｔｅｍ： Ｆｕｎｄａｍｅｎｔａｌ Ｒｅｓｅａｒｃｈ Ｆｕｎｄｓ ｆｏｒ ｔｈｅ Ｃｅｎｔｒａｌ Ｕｎｉｖｅｒｓｉｔｉｅｓ (Ｎｏ． ２５７２０１６ＣＢ０１) ．

Cited by 4 publications

References 0 publications

Ovalbumin-Loaded Gelation Microneedles Made of Predictive Formulation by Molecular Dynamics Simulation for Enhancement of Skin Immunization

Ovalbumin-Loaded Gelation Microneedles Made of Predictive Formulation by Molecular Dynamics Simulation for Enhancement of Skin Immunization

Solubility Parameters Measurements of 1-Propyl-3-Methyl-Imidazolium-Based Ionic Liquids via Inverse Gas Chromatography and Hansen Solubility Parameter in Practice

Constructing high-porosity composite membranes by loading novel CD@DCN in PVDF: Achieving superior permeability and selectivity simultaneously

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Abstract: Ｆｏｕｎｄａｔｉｏｎｉｔｅｍ：ＦｕｎｄａｍｅｎｔａｌＲｅｓｅａｒｃｈＦｕｎｄｓｆｏｒｔｈｅＣｅｎｔｒａｌＵｎｉｖｅｒｓｉｔｉｅｓ (Ｎｏ．２５７２０１６ＣＢ０１) ．