We performed an in silico, in vitro, and in vivo assessment of a potassium 2-[2-(2-oxo-4-phenylpyrrolidin-1-yl) acetamido]ethanesulfonate (compound 1) as a potential prodrug for cognitive function improvement in ischemic brain injury. Using in silico methods, we predicted the pharmacological efficacy and possible safety in rat models. In addition, in silico data showed neuroprotective features of compound 1, which were further supported by in vitro experiments in a glutamate excitotoxicity-induced model in newborn rat cortical neuron cultures. Next, we checked whether compound 1 is capable of crossing the blood–brain barrier in intact and ischemic animals. Compound 1 improved animal behavior both in intact and ischemic rats and, even though the concentration in intact brains was low, we still observed a significant anxiety reduction and activity escalation. We used molecular docking and molecular dynamics to support our hypothesis that compound 1 could affect the AMPA receptor function. In a rat model of acute focal cerebral ischemia, we studied the effects of compound 1 on the behavior and neurological deficit. An in vivo experiment demonstrated that compound 1 significantly reduced the neurological deficit and improved neurological symptom regression, exploratory behavior, and anxiety. Thus, here, for the first time, we show that compound 1 can be considered as an agent for restoring cognitive functions.

The rheological properties, spinnability, and thermal–oxidative stabilization of high-molecular-weight linear polyacrylonitrile (PAN) homopolymers (molecular weights M_η = 90–500 kg/mol), synthesized via a novel metal-free anionic polymerization method, were investigated to reduce coagulant use, enable solvent recycling, and increase the carbon yield of the resulting carbon fibers. This approach enabled the application of the mechanotropic (non-coagulating) spinning method for homopolymer PAN solutions in a wide range of molecular weights and demonstrated the possibility of achieving a high degree of fiber orientation and reasonable mechanical properties. Rheological analysis revealed a significant increase in solution elasticity (G′) with increasing molecular weight, facilitating the choice of optimal deformation rates for effective chain stretching prior to strain-induced phase separation during the eco-friendly spinning of concentrated solutions without using coagulation baths. The possibility of collecting ~80 wt% of the solvent at the first stage of spinning from the as-spun fibers was shown. Transparent, defect-free fibers with a tensile strength of up to 800 MPa and elongation at break of about 20% were spun. Thermal treatment up to 1500 °C yielded carbon fibers with a carbon residue of ~50 wt%, in contrast to ~35 wt% for industrial radically polymerized PAN carbonized under the same conditions.

Polymer matrices can be reinforced with cellulose fillers in a variety of geometric shapes. Depending on the morphology of the particles, the volume fraction of the composite additive may decrease, while the values of the elastic modulus may increase. Increasing the length while decreasing the width of the cellulose filler is an intriguing path in the development of composite additives and materials based on it. It is difficult to form thin continuous cellulose fibers, but this can be accomplished via the sea-island composite fiber manufacturing process. The creation of cellulose fibrils in polyacrylonitrile (PAN)/cellulose based systems happens during the spinning of the mixed solution. A selective solvent facilitates the isolation of cellulose fibrils. The structure of the isolated microfibers was investigated using X-ray diffraction, IR spectroscopy, SEM, and AFM. The structure of the resulting cellulose microfibers was compared to bacterial cellulose. It has been shown that composite fibers have a superposition pattern, while cellulose fibrils have a structure different from native cellulose and similar to Lyocell fibers (polymorph II). The crystallite sizes and crystallinity of regenerated cellulose were determined. The identified structural parameters for cellulose fibrils provide strength at the level of industrial hydrated cellulose fibers.

This research examines the possibilities of regulating the structure of cellulose precursor fibers spun from solutions in N-methylmorpholine-N-oxide when replacing aqueous coagulation baths with thermodynamically softer alcohol baths at different temperatures. The fibers were spun by the dry jet–wet method in isobutanol coagulation baths with a temperature of 25 °C and 70 °C. The study of the phase state of the solvent–coagulant system using viscometry and point cloud methods revealed the temperature-concentration regions of the single-phase and two-phase states of the system. Using elemental analysis, DSC (differential scanning calorimetry) and XRD (X-ray diffraction) methods, it was shown that just spun fibers, due to the presence of a residual amount of solvent and coagulant in them, regardless of the temperature of the precipitator, have an amorphous structure. Additional washing with water completely washed away the solvent and coagulant as well, however, the structure of cellulose changes slightly, turning into a defective amorphous-crystalline one. A relationship was found between the phase composition, structure, and properties of just spun fibers and precursors washed with water. Thus, the loss of structural ordering of both just spun and washed cellulose fibers leads to a decrease in strength characteristics and an increase in deformation. The thermal behavior of the fibers is determined by their phase composition. Fibers just spun into hot alcohol containing a coagulant and traces of solvent acquire thermal stability up to 330 °C. During the pyrolysis of the obtained precursors up to 1000 °C, the value of the carbon yield doubles. The amorphized structure of the obtained fibers allows us to consider it as a model when analyzing the transformation of the structure of precursors during thermolysis.

Several series of new polymers were synthesized in this study: binary copolyesters of vanillic (VA) and 4′-hydroxybiphenyl-4-carboxylic (HBCA) acids, as well as ternary copolyesters additionally containing 4-hydroxybenzoic acid (HBA) and obtained via three different ways (in solution, in melt, and in solid state). The high values of logarithmic intrinsic viscosities and the insolubility of several samples proved their high molecular weights. It was found that the use of vanillic acid leads to the production of copolyesters with a relatively high glass transition temperature (~130 °C). Thermogravimetric analysis revealed that the onset of weight loss temperatures of ternary copolyesters occurred at 330–350 °C, and the temperature of 5% mass loss was in the range of 390–410 °C. Two-stage thermal destruction was observed for all aromatic copolyesters of vanillic acid: decomposition began with VA units at 420–480 °C, and then the decomposition of more heat-resistant units took place above 520 °C. The copolyesters were thermotropic and exhibited a typical nematic type of liquid crystalline order. The mechanical characteristics of the copolyesters were similar to those of semi-aromatic copolyesters, but they were much lower than the typical values for fully aromatic thermotropic polymers. Thus, vanillic acid is a mesogenic monomer suitable for the synthesis of thermotropic fully aromatic and semi-aromatic copolyesters, but the processing temperature must not exceed 280 °C.

Mixed solutions of PAN with cellulose in N-methylmorpholine-N-oxide (NMMO) were prepared. Systems with a fraction of a dispersed phase of a cellulose solution in NMMO up to 40% are characterized by the formation of fibrillar morphology. The fibrils created as the mixed solution is forced through the capillary take on a more regular order as the cellulose content in the system drops. The systems’ morphology is considered to range from a heterogeneous two-phase solution to regular fibrils. The generated morphology, in which the cellulose fibrils are encircled by the PAN, can be fixed by spinning fibers. Cellulose fibrils have a diameter of no more than a few microns. The length of the fibrils is limited by the size of the fiber being formed. The process of selectively removing PAN was used to isolate the cellulose microfibrils. Several techniques were used to evaluate the mechanical properties of isolated cellulose microfibers. Atomic force microscopy allowed for the evaluation of the fiber stiffness and the creation of topographic maps of the fibers. Cellulose microfibers have a higher Young’s modulus (more than 30 GPa) than cellulose fibers formed in a comparable method, which affects the mechanical properties of composite fibers.