Alginate Hydrogel Beads with a Leakproof Gold Shell for Ultrasound-Triggered Release.

Focused ultrasound has advantages as an external stimulus for drug delivery as it is non-invasive, has high precision and can penetrate deep into tissues. Here, we report a gold-plated alginate (ALG) hydrogel system that retains highly water-soluble small-molecule fluorescein for sharp off/on release after ultrasound exposure. The ALG is crosslinked into beads with calcium chloride and layered with a polycation to adjust the surface charge for the adsorption of catalytic platinum nanoparticles (Pt NPs).

A comprehensive guide for accurate conformational energies of microsolvated Li clusters with organic carbonates.

Organic carbonates and their mixtures are frequently used in electrolyte solutions in lithium-ion batteries. Rationalization and tuning of the related Li solvation processes are rooted in the proper identification of the representative low-energy spatial structures of the microsolvated Li(S) clusters. In this study, we introduce an automatically generated database of conformational energies (CEs), LICARBCONF806, comprising 806 diverse conformers of Li clusters with 7 common organic carbonates.

Validating Joint Acoustic Emissions Models as a Generalizable Predictor of Joint Health.

Joint acoustic emissions (JAEs) have been used as a non-invasive sensing modality of joint health for different conditions such as acute injuries, osteoarthritis (OA), and rheumatoid arthritis (RA). Recent hardware improvements for sensing JAEs have made at-home sensing to supplement clinical visits a possibility. To complement these advances, models must be improved for JAEs to function as generalizable predictors of joint health.

An influence of electronic structure theory method, thermodynamic and implicit solvation corrections on the organic carbonates conformational and binding energies.

An impact of an electronic structure or force field method, gas-phase thermodynamic correction, and continuum solvation model on organic carbonate clusters (S) conformational and binding energies is explored. None of the tested force field (GFN-FF, GAFF, MMFF94) and standard semiempirical methods (PM3, AM1, RM1, PM6, PM6-D3, PM6-D3H4, PM7) can reproduce reference RI-SCS-MP2 conformational energies. Tight-binding GFNn-xTB methods provide more realistic conformational energies which are accurate enough to discard the least stable conformers.

Blockade of tumor cell-intrinsic PD-L1 signaling enhances AURKA-targeted therapy in triple negative breast cancer.

Triple negative breast cancer (TNBC) accounts for 15-20% of all breast cancers and mainly affects pre-menopausal and minority women. Because of the lack of ER, PR or HER2 expression in TNBC, there are limited options for tailored therapies. While TNBCs respond initially to standard of care chemotherapy, tumor recurrence commonly occurs within 1 to 3 years post-chemotherapy and is associated with early organ metastasis and a high incidence of mortality.