Converting nanotoxicity data to information using artificial intelligence and simulation

X Yan, T Yue, DA Winkler, Y Yin, H Zhu… - Chemical …, 2023 - ACS Publications
Decades of nanotoxicology research have generated extensive and diverse data sets.
However, data is not equal to information. The question is how to extract critical information …

[HTML][HTML] Computer-aided nanodrug discovery: recent progress and future prospects

JJ Zheng, QZ Li, Z Wang, X Wang, Y Zhao… - Chemical Society …, 2024 - pubs.rsc.org
Nanodrugs, which utilise nanomaterials in disease prevention and therapy, have attracted
considerable interest since their initial conceptualisation in the 1990s. Substantial efforts …

Distinguishing the nanoplastic–cell membrane interface by polymer type and aging properties: translocation, transformation and perturbation

L Li, S Li, Y Xu, L Ren, L Yang, X Liu, Y Dai… - Environmental …, 2023 - pubs.rsc.org
Nanoscale plastics, being ubiquitous in the environment, can cross biological barriers
primarily through interactions with the cell membrane; yet there remains a lack of knowledge …

Thermal-controlled cellular uptake of “hot” nanoparticles

H Chen, X Dong, L Ou, C Ma, B Yuan, K Yang - Nanoscale, 2023 - pubs.rsc.org
Nanoparticles (NPs) have shown immense potential in the field of biomedical applications,
particularly in NP-based photothermal therapy, which offers a remote-controlled approach to …

Membrane-specific binding of 4 nm lipid nanoparticles mediated by an entropy-driven interaction mechanism

L Ou, H Chen, B Yuan, K Yang - ACS nano, 2022 - ACS Publications
Lipid nanoparticles (LNPs) are a leading biomimetic drug delivery platform due to their
distinctive advantages and highly tunable formulations. A mechanistic understanding of the …

Co-Administration of transportan peptide enhances the cellular entry of liposomes in the bystander manner both in vitro and in vivo

YX Li, N Wang, MM Hasan, HB Pang - Molecular pharmaceutics, 2022 - ACS Publications
Liposomes have been widely used as a drug delivery vector. One way to further improve its
therapeutic efficacy is to increase the cell entry efficiency. Covalent conjugation with cell …

A computational study of the influence of nanoparticle shape on clathrin-mediated endocytosis

Y Li, M Zhang, Y Zhang, X Niu, Z Liu, T Yue… - Journal of Materials …, 2023 - pubs.rsc.org
Nanoparticles have been widely used in biomedical applications such as gene/drug
delivery, molecular imaging and diagnostics. Among the physicochemical properties, shape …

Insight into biophysicochemical principles of biopolymers through simulation and theory

HX Wan, D Xu, XW Dong, K Yang, LT Yan - Chinese Journal of Polymer …, 2023 - Springer
The development of biopolymers for biomedical applications has traditionally been based
on new chemistries. However, there is growing recognition that the biological responses can …

Computational study on the regulatory mechanism of cell membrane wrapping on liposomes by embedded bowl-like nanostructures for drug delivery

R Kang, S Li, Y Li, X Zhang, T Yue - ACS Applied Nano Materials, 2022 - ACS Publications
Controlling the nanoparticle's (NP) ability to facilitate cell uptake is particularly desirable for
biomedical applications, such as drug delivery. Despite growing evidence highlighting the …

Energy and Speed Landscapes of the Membrane Internalization Behavior of Soft Nanoparticles

Z Zhang, L Ou, K Yang, B Yuan - The Journal of Physical …, 2024 - ACS Publications
The cellular endocytosis of nanoparticles (NPs) is a fundamental biological process with
significant potential in biomedical applications. However, a comprehensive understanding of …