Poly (vinyl alcohol) (PVA), as an excellent degradable plastic feedstock, is limited by its diminishing stability in wet environment, low strength, thermal instability and nonopaque properties. In response to these concerns, a PVA/demethylated lignin-based supramolecular plastic (DPVA-HA-Fe-5) was designed and produced from PVA, demethylated lignin (DL), humic acid (HA) and Fe3+ ions via a simple casting method. As compared with pure PVA plastic, the tensile strength of DPVA-HA-Fe-5 were increased by 411 % to 410.61 MPa, and the breaking strain was increased by 149 % to 239.47 %. Notably, the hydrophobicity of DPVA-HA-Fe-5 was also significantly improved. Although in highly humid environment (stored in RH = 100 % for 10 days) or in alkaline organic solvent (stored in pyridine for 3 h), DPVA-HA-Fe-5 also showed excellent mechanical strengths of 302.9 and 222.99 MPa, respectively, which are equivalent or even superior to the most of commercial petroleum-based plastics. Moreover, the prepared plastics showed an outstanding UV resistance and shading performance, and about 98.3 % protection against ultraviolet radiation B rays and 90.7 % protection against visible light were obtained. In short, the introduction of lignin to improve the performance of PVA-based plastic is a feasible method, and it could facilitate the development of high-value utilization of lignin.

ZnO nanorod nonwoven fabrics (ZNRN) were developed through hydrothermal synthesis to facilitate the prevention of the transmission of respiratory pathogens. The superhydrophobicity and antibacterial properties of ZNRN were improved through the response surface methodology. The synthesized material exhibited significant water repellency, indicated by a water contact angle of 163.9°, and thus demonstrated antibacterial rates of 91.8% for Escherichia coli (E. coli) and 79.75% for Staphylococcus aureus (S. aureus). This indicated that E. coli with thinner peptidoglycan may be more easily killed than S. aureus. This study identified significant effects of synthesis conditions on the antibacterial effectiveness, with comprehensive multivariate analyses elucidating the underlying correlations. In addition, the ZnO nanorod structure of ZNRN was characterized through SEM and XRD analyses. It endows the properties of superhydrophobicity (thus preventing bacteria from adhering to the ZNRN surface) and antibacterial capacity (thus damaging cells through the puncturing of these nanorods). Consequently, the alignment of two such features is desired to help support the development of personal protective equipment, which assists in avoiding the spread of respiratory infections.

Covalent organic frameworks (COFs) have gained considerable interest as candidate photocatalysts for hydrogen evolution. In this work, we synthesized β-keto-enamine-based COFs (TpPa-X, TpDB, and TpDTP) to explore the relations between structures and photocatalytic hydrogen evolution. COFs were divided into two groups: (1) TpPa-X with different substituents attached to the TpPa backbone and (2) COFs featuring diamine linkers of varied lengths (TpDB and TpDTP). Experiments and density functional theory (DFT) calculations show that moderate hydrophobicity is favorable for the photocatalytic hydrogen evolution process, and acceptable contact angles are anticipated to range from 65° to 80°. Naturally, there are comprehensive factors that affect photocatalytic reactions, and the regulation of different backbones and substituents can considerably affect the performance of COFs for photocatalytic hydrogen evolution in terms of electronic structure, specific surface area, surface wettability, carrier separation efficiency, and hydrogen dissociation energy. Results show that TpPa-Cl2 (TpPa-X, X  = Cl2) demonstrates the highest photocatalytic activity, approximately 14.51 mmol g-1h-1, with an apparent quantum efficiency of 4.62 % at 420 nm. This work provides guidance for designing efficient COF-based photocatalysts.

Poly (butylene adipate-co-terephthalate)/poly (L-lactic acid) (PBAT/PLLA) is one of the most important biodegradable polymer combinations; however, they are flammable with heavy melt dripping and incompatible. To achieve the objective of flame retardation and compatibility, a hybrid polyurethane (PU) with multiple flame retardation elements is synthesized via a new ring-opening polymerization (ROP) method and integrated into PBAT/PLLA film. The PU not only dissolves in different organic solvents at mild temperature but also improves the compatibility of PBAT/PLLA. As PU with respect to PBAT/PLLA is 20 wt%, the limiting oxygen index (LOI) and UL-94 reach 25.5 % and V-0 rating, respectively. In cone calorimeter test, the peak heat release rate (pHRR) of PU/PBAT/PLLA is ahead of PBAT/PLLA, and the total heat release (THR) decreases to 25.85 MJ/m2. The fire safety is achieved successfully. The initial pyrolysis of PU promotes the formation of a seed carbon layer; it continuously breaks down into a series of phosphorus‑oxygen radicals and generates different inert gases, while the pyrolytic solid products accelerate the carbonization to form the carbon/silicon composite layer. Then the polymeric combustion is braked completely. Besides, the PU can also tune the mechanical properties of PBAT/PLLA film and enhance its hydrophobicity. This work opens a new window for developing multifunctional flame retardant and paves the way for the richening engineering application of PBAT/PLLA.

In recent years, researchers have put much attention on the improvements and upgrades of novel wet strength agent in the papermaking fields, especially in the usage of household paper. Herein, PEIM-KH560 by polyethyleneimine (PEI) and γ-glycidyl ether propyl trimethoxysilane (KH560) was synthesized with five molecular weights (Mw) of PEI at 600, 1800, 10,000, 70,000 and 750,000. Results showed that the molecular weight greatly influenced the physicochemical properties of PEI-KH560, such as the size and thermal stability. The intrinsic cationic charge of PEI-KH560 provided the bonding sites with the paper fibers, forming strengthened fiber-fiber joints. It was shown that the dry, wet strength and hydrophobicity of cellulosic paper sheets were obviously improved. When the m (PEI):m(KH560) is 1:2, the strength of papers after sizing by Mw of PEI at 600 and 1800 is the most obvious, with the dry strength increased by 227.9 % and 187.5 %, and the wet strength increased by 183.8 % and 207.8 %, respectively. The maximum hydrophobicity was found at the PEI1800-KH560 with the contact angle value of 130.6°. The resultant environmental-friendly agent (PEI-KH560) obtained in this work provides valuable significance for the preparation of household and food packaging paper.

Understanding the intricate interactions governing protein and peptide behavior in liquid-liquid phase separation (LLPS) is crucial for unraveling biological functions and dysfunctions. This study employs a residue-leveled coarse-grained molecular dynamics approach to simulate the phase separation of repetitive polyproline and polyarginine peptides (poly PR) with varying lengths and sequences in solution, considering different concentrations and temperatures. Our findings highlight the crucial role of sequence order in promoting LLPS in peptides with identical lengths of repetitive sequences. Interestingly, repetitive peptides containing fewer than 10 polyarginine repeats exhibit no LLPS, even at salt concentrations up to 3 M. Notably, our simulations align with experimental observations, pinpointing a salt concentration of 2.7 M for PR25-induced LLPS. Utilizing the same methodology, we predict the required salt concentrations for LLPS induction as 1.2 M, 1.5 M, and 2.7 M for PR12, PR15, and PR35, respectively. These predictions demonstrate good agreement with experimental results. Extending our investigation to include the peptide glutamine and arginine (GR15) in DNA solution, our simulations mirror experimental observations of phase separation. To unveil the molecular forces steering peptide phase separation, we introduce a dielectric constant modifier and hydrophobicity disruptor into poly PR systems. Our coarse-grained analysis includes an examination of temperature effects, leading to the inference that both hydrophobic and electrostatic interactions drive phase separation in peptide systems.

Per- and poly fluoroalkyl substances (PFASs) are often encountered with nonaqueous phase liquid (NAPL) in the groundwater at fire-fighting and military training sites. However, it is unclear how PFASs affect the dechlorination performance of sulfidized nanoscale zerovalent iron (S-nFe0), which is an emerging promising NAPL remediation agent. Here, S-nFe0 synthesized with controllable S speciation (FeS or FeS2) were characterized to assess their interactions with PFASs and their dechlorination performance for trichloroethylene NAPL (TCE-NAPL). Surface-adsorbed PFASs blocked materials\' reactive sites and inhibited aqueous TCE dechlorination. In contrast, PFASs-adsorbed particles with improved hydrophobicity tended to enrich at the NAPL-water interface, and the reactive sites were re-exposed after the PFASs accumulation into the NAPL phase to accelerate dechlorination. This PFASs-induced phenomenon allowed the materials to present a higher reactivity (up to 1.8-fold) with a high electron efficiency (up to 99%) for TCE-NAPL dechlorination. Moreover, nFe0-FeS2 with a higher hydrophobicity was more readily enriched at the NAPL-water interface and more reactive and selective than nFe0-FeS, regardless of coexisting PFASs. These results unveil that a small amount of yet previously overlooked coexisting PFASs can favor selective reductions of TCE-NAPL by S-nFe0, highlighting the importance of materials hydrophobicity and transportation induced by S and PFASs for NAPL remediation.

Self-assembling virus-like particles (VLPs) are promising platforms for vaccine development. However, the unpredictability of the physical properties, such as self-assembly capability, hydrophobicity, and overall stability in engineered protein particles fused with antigens, presents substantial challenges in their downstream processing. We envision that these challenges can be addressed by combining more precise computer-aided molecular dynamics (MD) simulations with experimental studies on the modified products, with more to-date forcefield descriptions and larger models closely resembling real assemblies, realized by rapid advancement in computing technology. In this study, three chimeric designs based on the hepatitis B core (HBc) protein as model vaccine candidates were constructed to study and compare the influence of inserted epitopes as well as insertion strategy on HBc modifications. Large partial VLP models containing 17 chains for the HBc chimeric model vaccines were constructed based on the wild-type (wt) HBc assembly template. The findings from our simulation analysis have demonstrated good consistency with experimental results, pertaining to the surface hydrophobicity and overall stability of the chimeric vaccine candidates. Furthermore, the different impact of foreign antigen insertions on the HBc scaffold was investigated through simulations. It was found that separately inserting two epitopes into the HBc platform at the N-terminal and the major immunogenic regions (MIR) yields better results compared to a serial insertion at MIR in terms of protein structural stability. This study substantiates that an MD-guided design approach can facilitate vaccine development and improve its manufacturing efficiency by predicting products with extreme surface hydrophobicity or structural instability.

Tea saponins (TS), a natural biosurfactant extracted from tea trees, were co-ball milled with commercial micro zero-valent iron (mZVI) to produce TS modified mZVI (TS-BZVI) for efficient hexavalent chromium (Cr(VI)) removal. The findings demonstrated that TS-BZVI could nearly remove 100% of Cr(VI) within 2 h, which was 1.43 times higher than that by ball milled mZVI (BZVI) (70%). Kinetics analysis demonstrated a high degree of compatibility with the pseudo-second-order (PSO), revealing that TS-BZVI exhibited a 2.83 times faster Cr(VI) removal rate involved primarily chemisorption. Further, X-ray photoelectron spectroscopy (XPS) and X-ray absorption near edge structure (XANES) measurements indicated that the TS co-ball milling process improved the exposure of Fe(II) and Fe(0) on mZVI, which further promoted the Cr(VI) reduction process. Impressively, the introduction of TS increased the hydrophobicity of ZVI, effectively inhibiting the H2 evolution by 95%, thus improved electron selectivity for efficient Cr(VI) removal. Ultimately, after operating for 10 days, a simulated permeable reactive barrier (PRB) column experiment revealed that TS-BZVI had a higher Cr(VI) elimination efficiency than BZVI, indicating that TS-BZVI was promising for practical environment remediation.

Polyimide (PI) aerogel is a good thermal insulation material with the highest temperature resistance in practical application. But the mechanical strength of PI aerogels prepared by freeze-drying or thermoimide methods is weak. In this research, TPU was selected as an aging solution to solve the problem of the low mechanical strength of PI aerogel prepared by the freeze-drying method. Previous work has certified that the coupling of PI and thermoplastic polyurethane (TPU) can enhance the mechanical strength of PI aerogel to a certain extent due to the flexibility of TPU. But excessive TPU will change the PI structure in the cross-linking process and decrease the mechanical strength of the aerogel. Thus, a new kind of PI gel modification method was provided by using TPU as an aging solution, and the mechanical strength of PI aerogel is improved to 3.06 MPa. Furthermore, the shrinkage, specific surface area, waterproof angle, and thermal conductivity all show good performance, thus enabling PI aerogel to be used in many aspects. Specially, the method is simple and can be used to prepare some other high-strength aerogels.