Computational pharmaceutics-A new paradigm of drug delivery

W Wang, Z Ye, H Gao, D Ouyang - Journal of Controlled Release, 2021 - Elsevier
In recent decades pharmaceutics and drug delivery have become increasingly critical in the
pharmaceutical industry due to longer time, higher cost, and less productivity of new …

Perturbations of native membrane protein structure in alkyl phosphocholine detergents: a critical assessment of NMR and biophysical studies

C Chipot, F Dehez, JR Schnell, N Zitzmann… - Chemical …, 2018 - ACS Publications
Membrane proteins perform a host of vital cellular functions. Deciphering the molecular
mechanisms whereby they fulfill these functions requires detailed biophysical and structural …

High molecular weight hyper-branched PCL-based thermogelling vitreous endotamponades

Q Lin, Z Liu, DSL Wong, CC Lim, CK Liu, L Guo… - Biomaterials, 2022 - Elsevier
Vitreous endotamponades play essential roles in facilitating retina recovery following
vitreoretinal surgery, yet existing clinically standards are suboptimal as they can cause …

Versatility of reverse micelles: From biomimetic models to nano (bio) sensor design

ML Arsene, I Răut, M Călin, ML Jecu, M Doni… - Processes, 2021 - mdpi.com
This paper presents an overview of the principal structural and dynamics characteristics of
reverse micelles (RMs) in order to highlight their structural flexibility and versatility, along …

Inhibition of microbial deconjugation of micellar bile acids protects against intestinal permeability and liver injury

DK Li, SN Chaudhari, Y Lee, M Sojoodi… - Science …, 2022 - science.org
Altered host-microbe interactions and increased intestinal permeability have been
implicated in disease pathogenesis. However, the mechanisms by which intestinal microbes …

Self-assembly and viscosity changes of binary surfactant solutions: A molecular dynamics study

J Zhou, PG Ranjith - Journal of Colloid and Interface Science, 2021 - Elsevier
Hypothesis: Structure and self-assembly of surfactants in the solution shows a fundamental
influence on its viscosity. Through molecular simulations using Martini force field, synergistic …

Estimation and prediction of the air–water interfacial tension in conventional and peptide surface-active agents by random Forest regression

F Ricardo, P Ruiz-Puentes, LH Reyes, JC Cruz… - Chemical Engineering …, 2023 - Elsevier
The surface tension at the critical micelle concentration (ST CMC) is an important descriptor
for surfactants in applications including cosmetics, pharmaceuticals and food. A predictive …

Hofmeister effects of anions on self-assembled thermogels

WW Loh, Q Lin, CC Lim, L Guo, YK Tang, XJ Loh… - Materials Today …, 2022 - Elsevier
Thermogels are temperature-responsive soft biomaterials with numerous biomedical
applications. They possess high water content and can spontaneously gelate by forming …

[HTML][HTML] Characterisation of the apparent aqueous solubility enhancement of testosterone analogues in micelles of dodecyl-chained surfactants with different …

Y Saaka, D Allen, AE Terry, CD Lorenz… - Journal of Molecular …, 2023 - Elsevier
The solubilisation capacities of the micelles formed by a range of surfactants possessing a
dodecyl (C 12) hydrocarbon 'tail'and a variety of hydrophilic 'headgroups' have been studied …

Self-assembly and structures of nanoscale double emulsion droplets through coarse-grained molecular dynamics simulations

Q Chen, J Zheng - Soft Matter, 2023 - pubs.rsc.org
Examples of self-assembled multiple emulsion droplets on the nanometre scale are very
rare. In this work, we use coarse-grained (CG) molecular dynamics simulations to study the …