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The Effect of Polymerization of Ionic Liquid [C4Vim]Br on Phase Behavior and Partitioning of L-Tryptophan: Experimental and Molecular Dynamics Study Enhanced Publication
Abstract：In recent decades, there is growing interest in various applications of polymerized ionic liquids (PILs), particularly in the aqueous biphasic systems (ABSs) used as media for extraction of solutes. In this work, we report new experimental data on the binodal curve and tie lines in the ABSs containing PIL and non-polymerized ionic liquid (IL): poly-[C4Vim]Br-K3PO4-H2O and [C4Vim]Br-K3PO4-H2O at 298.15 K. For the ABS with PIL, the partition coefficient of L-tryptophan between the liquid phases is obtained from experiment and compared with our previous data on ABS [C4mim]Br-K3PO4-H2O containing non-polymerized IL. We conclude that the ABS containing poly-[C4Vim]Br has a lower extraction efficiency than the ABS based on non-polymerized ILs. To elucidate the mechanism underlying such behavior of the PIL-containing mixture, we performed MD simulations of PIL-rich aqueous mixtures in presence of K3PO4 and L-tryptophan. We obtained diffusion coefficients of low molecular mass ions and water, and data on the distribution of these species around polycation over a range of mixture compositions. MD data show that poly-[C4Vim]Br exhibits no favorable selectivity towards L-tryptophan anions in the presence of phosphate background. This confirms unfavorable combination of poly-[C4Vim]Br with phosphate for the extraction of L-tryptophan, in accord with our experimental findings.Keywords：Aqueous biphasic systems;Molecular dynamics;Partitioning of L-tryptophan;Phase diagrams;Polymerized ionic liquids10|0|0
Updated：2026-04-15 -
Experimental Investigation of Graphene and TiO2 Reinforced PVA-Based Fiber Metal Laminates Enhanced Publication
Abstract：This study investigates the mechanical performance of hybrid fiber-metal laminates (FMLs) fabricated using a polyvinyl alcohol (PVA) matrix reinforced with woven glass and carbon fibers, further enhanced with titanium dioxide (TiO2) and graphene fillers. The composites were fabricated using the vacuum bag molding process, and to optimize the mechanical behavior, different filler loadings were incorporated as graphene at (0.5, 1, and 3 wt.%), and TiO2 (0.5, 1, 2, and 3 wt.%). Mechanical tests revealed that the inclusion of filler particles significantly enhanced tensile, flexural, and toughness properties. The optimal graphene loading was found to be 0.5 wt.%, resulting in an 83.4% increase in Young’s modulus and a 127% improvement in tensile strength compared to PVA composites without filler. Optimal loading for TiO2 was 2% by weight, which resulted in a 102.3% increase in Young's modulus and an 81.5% increase in ultimate tensile strength. The maximum flexural properties were achieved for 0.5 wt.% graphene-loaded composites, with a flexural strength of 56.6 MPa and a flexural modulus of 19.3 GPa, while the highest toughness value of 4.2 MPa was also observed at this loading. Density analysis showed a slight increase in composite density with filler addition and minimum porosity at 0.5 wt.% graphene and 2 wt.% TiO2, consistent with improved mechanical performance. XRD and FTIR analysis confirmed successful filler incorporation, enhanced crystallinity for TiO2-filled composites, and the SEM analysis confirmed the strong interfacial interactions without altering the PVA matrix chemistry, while higher filler loadings led to property degradation due to particle agglomeration and stress concentration effects.Keywords：Metal Laminated Composites, Fiber Reinforcement, Filler Concentration,Mechanical Characterization44|6|0Updated：2026-04-07 -
Molecular Weight Distribution Effects on the Structural and Mechanical Performance of Conjugated Polymers Incorporating Flexible Spacers: A Simulation Study Enhanced Publication
Abstract： Conjugated polymers incorporating flexible spacers (CP-FSs) offer a promising route to mechanically robust active layers for flexible organic solar cells. However, the influence of molecular weight distribution (MWD)—a fundamental polymer characteristic—on structural and mechanical performance remains poorly understood due to synthetic challenges. Here, we employ dissipative particle dynamics and coarse-grained molecular dynamics simulations to elucidate how MWD, quantified by polydispersity index (PDI), governs structure-property relationships in CP-FSs. Our results reveal that PDI acts as a molecular switch controlling phase morphology: increasing PDI drives transitions from lamellar to perforated lamellar structures at intermediate rigid segment lengths. At the molecular level, higher PDI significantly increases the fraction of bridging conformations ( ), strengthening a load-bearing network. During tensile deformation, this enhanced load-bearing network suppresses destructive fibrillation and instead promotes reconstructive strengthening through dynamic loop-to-bridge transitions. These findings demonstrate that controlled MWD offers a composition-independent strategy for developing mechanically robust active layers, providing practical guidelines for flexible organic solar cell design.Keywords：Conjugated polymers incorporating flexible spacers;Molecular weight distribution;Structural performance;Mechanical performance49|1|0Updated：2026-03-31 -
Modulating Molecular Electrostatic Potential Unlocks Efficient Exciton Dissociation in A-D-A-Type Narrow Bandgap Acceptors-Based Organic Solar Cells Enhanced Publication
Abstract：Multithiophene-based fused-ring electron acceptors (MFREAs) have demonstrated remarkable performance not only in organic solar cells, but also in other optoelectronic devices owing to their extended near-infrared absorption. However, an insufficient electrostatic potential (ESP) difference with the donor results in a weak intermolecular electric field (IEF), which leads to low exciton dissociation efficiency. In addition, the narrow bandgap causes substantial energy loss (Eloss), thereby restricting the open-circuit voltage. To address these problems, we developed two novel MFREAs, 6TFIC-C11-4F and 6TFIC-C11-4Cl, which were developed from the typical molecule 6TIC-4F via central-core side-chain fluorination and terminal chlorination. Although core fluorination slightly attenuated the intramolecular charge transfer (ICT) effect, this strategy significantly increased the overall average ESP value, strengthening the donor-acceptor IEF, thereby facilitating exciton dissociation. Terminal chlorination enhanced the ICT effect, resulting in a red-shifted absorption spectrum and stronger IEF. Notably, 6TFIC-C11-4F exhibited increased intermolecular interactions and reduced π–π stacking distances, leading to better charge transport. As a result, the PM6:6TFIC-C11-4F device achieved a decent power conversion efficiency of 13.32%, significantly outperforming the PM6:6TIC-4F device (10.52%). In addition, the PM6:6TFIC-C11-4Cl device demonstrated reduced Eloss and a higher short-circuit current density, validating the potential of central-core side-chain fluorination and terminal chlorination in designing high-performance MFREAs.Keywords：multithiophene fused-ring electron acceptors, organic solar cells, central-core side-chain fluorination, electrostatic potential, exciton dissociation102|6|0Updated：2026-03-26 -
Microenvironment Responsive Polymeric NO Releasing Micelles for Enhancing Eradication of Methicillin-resistant Staphylococcus aureus Biofilm Enhanced Publication
Abstract：Biofilm infections pose a severe threat to global public health owing to their persistent and recalcitrant nature. The physical barrier formed by the biofilm impedes the penetration of antimicrobial agents, leading to a significantly reduced efficacy of conventional antibiotics. Herein, we developed a polymeric micelle system that responds to the biofilm microenvironment to release nitric oxide (NO), which is capable of disrupting biofilms, thereby enhancing the bactericidal efficacy of antibiotics against embedded bacteria. The hydrophobic small-molecule NO donor was first conjugated to a diblock copolymer composed of N-hydroxyethyl acrylamide and N-acryloyl morpholine to yield an amphiphilic diblock copolymer. This amphiphilic copolymer then self‑assembles into polymeric NO-releasing micelles (PNOM). Upon exposure to thiol-containing molecules in the reducing biofilm microenvironment, PNOM responsively released NO in a sustained manner over several days. In vitro studies have demonstrated that PNOM significantly potentiated the anti-biofilm efficacy of levofloxacin (Lev) against methicillin-resistant Staphylococcus aureus (MRSA). The combination of PNOM and Lev dispersed 85.3% of the biofilm biomass and eradicated 98.8% of the embedded bacteria. Moreover, in a murine model of implant-associated MRSA biofilm infection, PNOM was validated to enhance the antibiofilm efficacy of Lev in vivo, achieving a bactericidal rate of 93.9 % for MRSA biofilms and significantly alleviating inflammation. In summary, we designed a polymeric micelle system that triggers NO release in response to a thiol-rich biofilm microenvironment, thereby disrupting biofilm formation and enhancing the antibiofilm effect of antibiotics against MRSA. This approach represents a promising therapeutic strategy for treating stubborn biofilm-associated infections.Keywords：Polymeric, Micelles, Nitric Oxide, Drug-Resistant Bacteria, Biofilm Infection48|5|0Updated：2026-03-13 -
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