Fabrication and examination of polyorganophosphazene/polycaprolactone-based scaffold with degradation, in vitro and in vivo behaviors suitable for tissue …

K Gholivand, M Mohammadpour… - Scientific Reports, 2022 - nature.com
The present study aimed to synthesis a proper scaffold consisting of hydroxylated
polyphosphazene and polycaprolactone (PCL), focusing on its potential use in tissue …

Low temperature breakdown behavior analysis of natural esters from the perspective of molecular structure

W Ye, J Hao, M Zhu, J Li, R Liao - Journal of molecular liquids, 2020 - Elsevier
To better promote and apply natural esters safely in cold area transformers, it is very
important to master its low temperature insulation performance. Low temperature breakdown …

Computational modeling of polydecanediol-co-citrate using benzalkonium chloride-based hydrophobic eutectic solvents: COSMO-RS, reactivity, and compatibility …

S Benabid, N Haddaoui, T Lemaoui, AS Darwish… - Journal of Molecular …, 2021 - Elsevier
Eutectic solvents (ESs) have been extensively explored in polymer chemistry. Nevertheless,
studies utilizing ESs as a constituent of biodegradable poly (diol-co-citrate)(PDCA) …

Enlightenment the dynamic behavior of norbornene–modified'click'4–arm polyethylene glycol hydrogel: Delving into framework properties and transport properties …

R Das, D Kundu - Computational Materials Science, 2025 - Elsevier
The thiol-norbornene cross-linked 4-arm Polyethylene Glycol (PEG)'click'hydrogel is a
synthetic, sustainable, and bio-inspired polymer extensively used in biomedical …

Enhancing anti-diabetic properties of thymoquinone: The role of PEG4000-Encapsulated nanoparticles in insulin secretion and β-cell protection

RA Tachour, A Rezgui, A Attoui, M Tacherfiout… - Journal of Drug Delivery …, 2024 - Elsevier
Numerous studies have identified Thymoquinone (TQ) as a potential antidiabetic agent.
However, its low solubility in water hampers bioavailability. This study focuses on the impact …

Selective distribution of BaTiO3 and graphene in PS/PVDF blends: Molecular dynamics simulations

R Bo, J Wang, C Wang, Y Wang, P He, Z Han - Materials Today …, 2023 - Elsevier
The selective distribution of inorganic particles in polymer blends is of great significance in
designing the composites with excellent properties such as dielectric properties. Molecular …

Molecular model construction of the dense medium component scaffold in coal for molecular aggregate simulation

L Lian, Z Qin, C Li, J Zhou, Q Chen, X Yang, Z Lin - ACS omega, 2020 - ACS Publications
Coal as an important fossil energy has been comprehensively studied in terms of its
structure, reactivity, and application. However, there are few publications reported about the …

Effect of PEG concentration on drug release from PLA-PEG copolymers: A molecular dynamics simulation study

M Rahmati - Journal of Molecular Liquids, 2024 - Elsevier
Abstract Mercaptopurine (6-MP), a cancer medication limited by its hydrophobic properties,
was studied using molecular dynamics simulations with biodegradable copolymers (PLA …

A new strategy of three-liquid-phase partitioning for stripping of heavy rare earths from the loaded organic phase

N Sui, K Huang - Separation and Purification Technology, 2020 - Elsevier
The difficulties confronted during the extraction and separation of heavy rare earths (HREs)
were low separation factors and high concentration of acid solution consumption. A new …

Evaluation of the compatibility of energetic nitrocellulose/plasticizer blends through molecular dynamics simulation

W Meng, W Qin, T Zhang, Z Guo, Y Fu… - Journal of Energetic …, 2024 - Taylor & Francis
The compatibility of binders and plasticizers has a significant influence on the properties of
polymer-bonded explosives. Molecular dynamics was employed to explore the compatibility …