Predicting the binding residues of four small molecule ligands by utilizing ensemble algorithms with additional correlation features. [PDF]
Gao S +6 more
europepmc +1 more source
Self‐reinforcing degradation in solution‐processed small‐molecule organic light‐emitting diodes (OLEDs) arises from charge accumulation and exciton‐polaron interactions, leading to molecular aggregation and efficiency loss. This study uncovers the fundamental mechanisms behind this degradation and introduces strategic material engineering approaches ...
Eonji Cha +8 more
wiley +1 more source
Graph neural networks for predicting metal-ligand coordination of transition metal complexes. [PDF]
Toney JW +4 more
europepmc +1 more source
FeDSNP‐Pa, a metallized nanoparticle loaded with sodium pyruvate (Pa), exerts triple therapeutic effects by scavenging reactive oxygen species (ROS), suppressing inflammatory responses, and inhibiting pyroptosis signaling pathways. This multifunctional neuroprotective strategy protecting retinal ganglion cells (RGCs) from elevated intraocular pressure ...
Yukun Wu +5 more
wiley +1 more source
Molecular docking insights of Nigella sativa compounds as potential antiviral inhibitory agents against the replication-machinery proteins VPg and RdRP in rabbit hemorrhagic disease virus (RHDV). [PDF]
Afifi YR +4 more
europepmc +1 more source
Tunable Synthetic Hydrogel Modulates Hepatic Lineage Specification of Human Liver Organoid
In this study, a synthetic hydrogel is reported that supports the formation of hiPSC‐derived human liver organoids (HLOs). Hepatic lineage specification can be modulated via conjugation of RGD peptide to hydrogel: RGD‐conjugated hydrogels promote cholangiocyte differentiation, whereas RGD‐free hydrogels favor hepatocyte commitment of HLO cells.
Lei Wang +16 more
wiley +1 more source
Biomaterial Strategies for Targeted Intracellular Delivery to Phagocytes
Phagocytes are essential to a functional immune system, and their behavior defines disease outcomes. Engineered particles offer a strategic opportunity to target phagocytes, harnessing inflammatory modulation in disease. By tuning features like size, shape, and surface, these systems can modulate immune responses and improve targeted treatment for a ...
Kaitlyn E. Woodworth +2 more
wiley +1 more source
3D Multicellular Scaffold Based Model for Advancing Bone Disorder Research
A scalable 3D multicellular in vitro bone model engineered by integrating osteoblasts, osteoclasts, and endothelial cells on biodegradable scaffolds. The system recapitulates key features of human bone remodeling and disease pathology. As a proof of concept, the model mimics osteogenesis imperfecta, demonstrating its potential as a physiologically ...
Gali Guterman‐Ram +5 more
wiley +1 more source
Computational Modelling of Imidazole Protection of Coordinated Gadolinium Tetraphenylporphyrine Against Molecular Oxygen Attack. [PDF]
Pomogaev V, Lukyanov D, Solovyeva E.
europepmc +1 more source

