Here, we present a general statistical-mechanical model able to reconstruct the temperature dependence of the thermodynamic properties of non-covalent host–guest inclusion complexes using a set of molecular dynamics simulations along an isobar. Our approach, applied to $\beta$-cyclodextrin in interaction with E- and Z-dimethomorph as well as a bisphenol A derivative, provides a robust description of the in silico data, able to well reproduce the host–guest binding thermodynamics at every temperature.

Initially observed on synthetic nanoparticles, biomolecular corona existence and role in determining nanoparticle identity and function are now beginning to be acknowledged in biogenic nanoparticles, particularly in extracellular vesicles. We have developed here a methodology based on Fluorescence Correlation Spectroscopy to track biomolecular corona formation on extracellular vesicles derived from red blood cells and placental mesenchymal stromal cells when these vesicles are dispersed in human plasma. The methodology allows for the study of corona dynamics in situ in physiological conditions. Results evidence that the two extracellular vesicle populations feature distinct corona dynamics, with red blood cell-derived extracellular vesicles exchanging a higher number of proteins. These findings indicate that the dynamics of the biomolecular corona may ultimately be linked to the cellular origin of the extracellular vesicles, revealing an additional level of heterogeneity, and possibly of bionanoscale identity, that characterizes circulating extracellular vesicles.

Complexes of cyanidin 3-O-glucoside (CND) and alginate (Alg) form long-range supramolecular structures at pH 4, where CND is predominantly uncharged. Under these conditions, the complexes exhibit pronounced chiroptical activity, with Circular Dichroism (CD) bands that are significantly more intense than those of free CND and of CND/Alg complexes formed at lower pH values. Alginate is composed of guluronic and mannuronic units, which differ in the axial or equatorial orientation of one carboxyl group, respectively. To gain insight in the molecular basis for the complexation of CND and alginate CND was complexed with polyguluronic (PolyG) and polymannuronic (PolyM) acids. In both cases, only small aggregates were formed, lacking characteristic CD bands observed for CND/Alg complexes at pH 4. Molecular dynamics simulations showed that the spacing between successive carboxylate groups interacting with CND molecules is larger in PolyG and PolyM acids than in alginate, where guluronic and mannuronic units alternate along the polymer chain. These results indicate that the alternation of guluronic and mannuronic units in alginate is a key to promote CND–CND interactions, leading to a cooperative assembly and the formation of extended supramolecular structures with enhanced chiroptical response.

Introduction: Immunogenic lipopeptides are promising immunogens since their amphiphilic nature allows them to assemble into micelles, improving solubility, stability, and circulation half-life

The efficacy of probiotics depends on their ability to survive industrial processing and gastrointestinal transit; however, traditional formulations often experience losses of 2–3 log units before reaching the intestine. Here we report the single-cell encapsulation of Lactiplantibacillus plantarum C8 through Layer-by-Layer (LbL) assembly of poly-L-lysine (PLL) and alginate (Alg) to form nanoscale coatings adapted to the bacterial glycocalyx. Unlike synthetic colloids, where initial LbL layers are sparse, fluorescence flow cytometry data indicated unusually high polymer incorporation in the first assembled layer, resulting in complete coverage with only two bilayers. Transmission Electron Microscopy (TEM), Atomic Force Microscopy (AFM), and Confocal Laser Scanning Microscopy (CLSM) confirmed surface thickening and fluorescence-confined coatings with limited aggregation. Two-layer coatings enhanced survival after freeze-drying, increasing from 68.3 ± 2.3% (uncoated) to 72.6 ± 1.0% (p < 0.05), and preserved growth to ~9.3 log CFU/mg after 24 h. Under simulated gastric digestion, coated cells showed higher viability (4.6 ± 0.3 log CFU/mg) compared with uncoated (3.5 ± 0.2 log CFU/mg). Additionally, coated bacteria retained ~5.7 log CFU/mg at 4 °C after 60 days, thereby prolonging ambient stability by 10 days. Notably, coatings beyond four layers impaired cell division without additional protection. These results establish the glycocalyx as a determinant of polyelectrolyte deposition on living bacteria, demonstrating that a bilayer coating produced by the LbL technique is sufficient to provide robust and scalable protection for probiotic formulations.

A pH-responsive, supramolecular zwitterionic nanocarrier based on the self assembly of quaternized hyaluronate conjugated with quercetin (QHQ) is presented for the enhanced intracellular delivery of the anticancer drug doxorubicin (Dx).