Thermal unfolding of alpha-lactalbumin at acidic pH: Insights from molecular dynamics simulations.

The transformation of globular proteins into fibrils passes through several stages, including the formation of partially expanded conformational states different from the native or fully unfolded forms. Here we used molecular dynamics simulations to characterize the thermal unfolding of alpha-lactalbumin on the microsecond timescale in the range of temperatures of 300-440 K. Comparative analysis of structural changes, mobility of different parts of protein, and pathways through the free energy landscape during the unfolding of alpha-lactalbumin at different temperatures reveals the existence of several intermediate states separated by small energy barriers.

Approbation of a Homologous Model of the Antitumor Vaccine Based on Mature Mouse Dendritic Cells to Study the Biodistribution of the Cell Product.

Homologous animal cell product was obtained in protocol developed for female BALB/c mice. Dendritic cell (DC) migration from the injection site into the draining lymph nodes was evaluated. The number of DC labeled with carboxyfluorescein succinimidyl ester (CFSE) in draining lymph nodes increased from 5.

Calcium ions do not influence the Aβ(25-35) triggered morphological changes of lipid membranes.

We have studied the effect of calcium ions (Ca) at various concentrations on the structure of lipid vesicles in the presence of amyloid-beta peptide Aβ(25-35). In particular, we have investigated the influence of calcium ions on the formation of recently documented bicelle-like structures (BLSs) emerged as a result of Aβ(25-35) triggered membrane disintegration. First, we have shown by using small-angle X-ray and neutron scattering that peptide molecules rigidify the lipid bilayer of gel phase DPPC unilamellar vesicles (ULVs), while addition of the calcium ions to the system hinders this effect of Aβ(25-35).

Preparation of Langmuir-Blodgett Films from Quinoxalines Exhibiting Aggregation-Induced Emission and Their Acidochromism.

The development of aggregation-induced emission (AIE)-exhibiting compounds heavily relies on our evolving comprehension of their behavior at interfaces, an understanding that still remains notably limited. In this study, we explored the preparation of two-dimensional (2D) sensing films from 2,3-diphenylquinoxaline-based diazapolyoxa- and polyazamacrocycles displaying AIE the Langmuir-Blodgett (LB) technique. This systematic investigation highlights the key role of the heteroatom-containing tether of 2,3-diphenylquinoxalines in the successful fabrication of Langmuir layers at the air-water interface and the transfer of AIE-emitting supramolecular aggregates onto solid supports.

Quinoxaline-based azamacrocycles: synthesis, AIE behavior and acidochromism.

The development of luminescent molecular materials has advanced rapidly in recent decades, primarily driven by the synthesis of novel emissive compounds and a deeper understanding of excited-state mechanisms. Herein, we report a streamlined synthetic approach to light-emitting diazapolyoxa- and polyazamacrocycles NCOQ and NCQ ( = 3-10; = 2, 3; = 2-5), incorporating a 2,3-diphenylquinoxaline residue (DPQ). This synthetic strategy based on macrocyclization through Pd-catalyzed amination reaction yields the target macrocycles in good or high yields (46-92%), enabling precise control over their structural parameters.