Search Results (1,361)

Rational design of high-performance viscosifying polymers is critical for enhancing supercritical CO₂ flooding efficiency in enhanced oil recovery (EOR). Traditional experimental and simulation approaches are limited in exploring the vast design space of polymer architecture, flexibility, and intermolecular interactions. This work presents an integrated machine learning (ML) and mesoscopic simulation framework using Dissipative Particle Dynamics (DPD) to accelerate the development of tailored polymeric thickeners. We systematically investigate synergistic effects of linear and branched polymer blends on solvent viscosity under Poiseuille flow, representative of flow in micro-fractures and pore throats. Key molecular descriptors are varied to generate a comprehensive rheological database. This data trains a deep neural network (DNN) surrogate model linking molecular parameters to macroscopic viscosity. The DNN is coupled with gradient ascent optimization for inverse design, enabling rapid virtual screening of thousands of formulations. A focused case study demonstrates that the star-like architectures with associative cores and semi-flexible backbones outperform linear analogs for supercritical CO₂ viscosity enhancement. The optimal candidate—a four-arm star polymer with linear side chains—was validated by DPD simulation. This multiscale “simulation-to-surrogate” methodology bridges molecular design with continuum-scale flow behavior, offering a transformative tool for formulating cost-effective, efficient, and sustainable next-generation EOR chemicals. Full article

Ionic polymer–metal composites consist of an ion-conducting polymer–gel membrane sandwiched between two flexible electrodes, representing a class of soft electroactive materials capable of large deformation under low voltage. The gel membrane, swollen with solvent, facilitates ion migration under an electric field, enabling actuation. Tailoring the interfacial architecture between the electrode and the polymer–gel membrane is pivotal for advancing high-performance IPMC actuators. This study presents a comparative investigation of three core–shell nanocomposite electrodes, fabricated via in situ polymerization, for IPMC applications. Among these, the polyaniline-coated multi-walled carbon nanotube composite exhibits a deliberately designed hierarchical structure, with a specific surface area of 32.345 m²·g⁻¹ and a conductive doped polyaniline shell, as confirmed through XPS analysis. This optimized interface enables superior charge storage and transport, endowing the corresponding electrode with a specific capacitance of 40.28 mF·cm⁻² at 100 mV·s⁻¹—3.2 times greater than that of conventional silver-based electrodes—along with a reduced sheet resistance. When integrated with a Nafion ion–gel membrane, the PANI@MWCNT electrode achieves a 67% increase in force density and a larger displacement output compared to standard devices, directly correlated with its enhanced electrical and electrochemical properties. This work highlights the critical role of core–shell interfacial engineering in governing electromechanical performance at the electrode–gel interface and offers a practical design strategy for developing high-performance, cost-effective IPMC actuators for soft robotics, flexible electronics, and related applications. Full article

Poor aqueous solubility remains a major limitation for the oral delivery of many active pharmaceutical ingredients (APIs). Deep eutectic solvents (DESs) exhibit remarkable drug-solubilization capacity, yet rapid precipitation upon aqueous dilution can compromise their ability to sustain supersaturation. This study investigates polymer-embedded DES (PEDES) systems as liquid supersaturating drug delivery platforms in which hydration and polymer chemistry jointly govern thermodynamic solubilization and kinetic stabilization. A choline chloride/DL-malic acid DES was prepared with 5% or 15% (w/w) water and combined with polyvinylpyrrolidone (PVP) or polyacrylic acid (PAA). Griseofulvin (GRF) was used as a precipitation-prone model drug. Structural characterization (ATR-FTIR, ¹H-NMR), equilibrium solubility measurements, storage stability studies, and non-sink dissolution testing were conducted to elucidate formulation behavior. The DES systems enhanced GRF solubility by up to ~59-fold relative to phosphate buffer (PBS, pH 6.8). Polymer incorporation produced hydration- and concentration-dependent effects. These results suggest the presence of competitive or cooperative interaction regimes. At 5% water, PEDES formulations failed to prevent recrystallization and showed limited supersaturation maintenance. In contrast, PEDES systems containing 15% water exhibited improved stability, with the formulation containing 4% PAA sustaining elevated drug concentrations for 120 min under non-sink conditions. Low-frequency solution-state ¹H-NMR confirmed stronger GRF–PAA interactions relative to PVP, supporting the role of polymer–drug association in supersaturation stabilization. These findings demonstrate that PEDES performance emerges from a hydration-dependent balance between solvent structuring and drug–polymer interactions, highlighting hydration and polymer functionality as key parameters for the rational design of liquid supersaturating systems. Full article

Mechanochromism is a phenomenon in which mechanical stimuli change the optical properties of a material, such as its color and emission properties. Various materials exhibiting this behavior have been intensively studied. Mechanochromic materials that exploit liquid crystals have been previously reported. Using liquid crystals, properties different from those of conventional materials, such as anisotropic response and multicolored luminescence due to intermediate aggregation phase stabilization, can be expected. Recently, we reported the preparation and evaluation of the optical properties of liquid-crystalline mechanochromic dyes with cholesterol terminals. The dyes formed gels in some solvents, changed their emission color, and exhibited a friable response without reaching a crystalline state. In addition, film-forming properties, processability, and responsiveness were improved in thin films mixed with polymers. However, the mechanical and thermal stabilities of the gels were low. In this study, a compound similar to the polymerizable unit was synthesized to produce tougher gels. In addition, triblock polymers with a mechanoresponsive dye in the hard segment were synthesized. The xerogel film prepared from the monomer showed an irreversible blue shift in photoluminescent color by mechanical grinding and also exhibited linearly polarized photoluminescence by uniaxial grinding due to force-induced alignment. On the other hand, the xerogel film prepared from the triblock copolymer showed a blue shift in photoluminescent color that can approximately revert to the initial state by thermal annealing, though it showed no anisotropy by uniaxial grinding, indicating that polymerization partially preserves mechanical responsiveness. Full article

The textile industry faces significant challenges regarding the need for textile waste recycling. This study investigates the feasibility of alkaline hydrolysis assisted by alcoholic co-solvents, such as ethanol, for recycling polyester/cotton blend textiles. Ethanol-assisted alkaline hydrolysis under mild conditions enabled almost complete depolymerisation of polyester, allowing the recovery of its monomers, terephthalic acid and ethylene glycol, which may be used to produce new polyester fibre. However, the treatment was found to adversely affect the properties of the cotton fibres, resulting in a recycled material of lower quality and functionality than the original material. In particular, a significant change in the structure of the cotton fibre was observed, namely, the transformation of cellulose I into cellulose II, as confirmed by FTIR analysis, along with a decrease in both the degree of polymerization and tensile strength, especially at an ethanol/water ratio of 40/60. Hence, alcohol-assisted alkaline hydrolysis is advisable for the chemical recycling of polyester, but it presents limitations when cotton fibres are also present. Full article

Paint manufacturing wastewater contains complex mixtures of solvents, resins, surfactants, pigments, and polymeric additives that result in high chemical oxygen demand (COD), toxicity, and poor biodegradability. Conventional physicochemical treatment provides limited removal of dissolved organics, and the pollutant-level behavior of paint effluents during biological treatment remains insufficiently characterized. This study addresses this gap by evaluating a sequential anaerobic–aerobic batch process treating three distinct synthetic paint wastewater samples. This study is a comparative investigation of sequential biological treatment across multiple paint wastewater variants, combined with high-resolution LC–MS to track compound-level transformations. Treatment performance was assessed through COD removal, biogas generation, pH and redox behavior, and LC–MS profiling of organic contaminants. The anaerobic stage achieved 70–95% COD removal depending on wastewater type. Aerobic polishing increased overall removal efficiencies, while PWW3 exhibited reduced stability during extended operation. LC–MS analysis showed substantial decreases in the number and intensity of chromatographic peaks and demonstrated degradation of phthalates, glycol ethers, organophosphate plasticizers, and solvent-derived compounds. The study provides integrated performance- and pollutant-level assessment of sequential anaerobic–aerobic treatment of paint wastewater and demonstrates the influences of wastewater heterogeneity in biological degradation pathways. Full article

A new series of polyamides (PAs) employing two phenolic natural compounds as starting materials, eugenol and chavicol, has been successfully prepared. The synthesis was carried out through a solvent-free protocol using the environmentally friendly organocatalyst 1,5,7-triazabicyclo[4.4.0]dec-3-ene (TBD). The obtained materials have been properly characterized. Moreover, the prepared materials, all of them amorphous, showed a wide range of transition temperatures (T_gs) depending on the structure of the diester counterpart used in the polymerization reaction. In addition, the influence of the methoxy group present in eugenol on the thermal properties of the resulting polyamides was studied. The synthesized polyamides demonstrated excellent thermal stability, high hydrophobicity, and great dimensional integrity. Furthermore, the obtained polymers could be depolymerized under alkaline hydrolysis conditions to yield, with good to excellent recovery ratios, the corresponding starting diamine monomer, which could eventually be used in the synthesis of new polymers. Closed-loop chemical recycling emerges as a sustainable alternative to conventional end-of-life management strategies for discarded polymers, while also constituting a promising pathway to mitigate the accumulation of polyamide (PA) waste. Full article

Polydicyclopentadiene (PDCPD), an emerging environmentally friendly material, has been widely applied in lightweight structural shells; however, its extension to high-value electronic applications remains challenging. In this work, we developed a novel vinyl-SiO₂@NaNbO₃ (VSN) core–shell structure with a high surface vinyl concentration (1.26 mmol/g) and excellent thermal stability, making it highly suitable for co-polymerization with polymers. Through ring-opening metathesis polymerization, the influence of VSN on the mechanical, thermal, and dielectric properties of PDCPD composites was systematically investigated. The vinyl groups on the VSN surface provide strong interfacial compatibility with the PDCPD matrix. With only 1.0 wt% loading, the composites show significant performance improvements: the heat deflection temperature and glass transition temperature increased to 139.3 °C and 150.43 °C, respectively, while the dielectric constant at 1 kHz rises to 4.13 with an ultralow dielectric loss of 0.035%. Meanwhile, the composites maintain high mechanical strength and solvent resistance. This study not only establishes a facile strategy for fabricating highly compatible inorganic additives but also offers new opportunities for expanding PDCPD into advanced dielectric and electronic applications. Full article

The catalytic dehydration of fructose to 5-ethoxymethylfurfural (EMF) in ethanol provides a promising approach for low-carbon chemical production. However, current catalytic systems generally suffer from a trade-off between reaction efficiency and product selectivity. Herein, we show that incorporating solvent moieties to sulfonated polymer enables the highly efficient conversion of fructose to furan compounds in ethanol via restraining product degradation. The co-polymerization of N-vinyl-2-pyrrolidinone, with divinylbenzene (DVB) and sodium p-styrene sulfonate (SPSS) gave 1.5VP/0.64SPSS/0.37DVB that has slightly lower acid contents and inferior pore structure than the co-polymer of DVB and SPSS. The 1.5VP/0.64SPSS/0.37DVB catalyst exhibited maximal EMF yield of 81.9% with a total furan yield of 92.7%, Which is remarkably higher than previous reports. Moreover, the 1.5VP/0.64SPSS/0.37DVB catalyst gave a high HMF yield in pure tetrahydrofuran. The superior performance was attributed to the improved stability of the product. Our findings will instruct the design of active and selective catalysts to facilitate the production of biomass-derived products. Full article

Molecularly imprinted polymers (MIPs) are synthetic materials with highly selective recognition properties and are widely studied for applications in separation, sensing, catalysis, and biomedical analysis. However, conventional MIP synthesis often relies on toxic solvents and reagents, causing environmental and sustainability concerns. This review critically examines recent advances in the green synthesis of MIPs, focusing on strategies aligned with green chemistry principles. Emphasis is placed on the use of environmentally less toxic solvents, as well as bio-based and less hazardous functional monomers and crosslinkers. Emerging polymerization techniques, such as microwave-assisted, photochemical, and solvent-free approaches, are also discussed. The impact of green synthetic routes on the structural, physicochemical, and recognition properties of MIPs is analyzed, highlighting both benefits and current limitations. Finally, key challenges and future perspectives for the development of sustainable MIPs are outlined. Full article

Isoflavones are plant-derived polyphenols with broad biological activity; however, their application in topical formulations is limited by poor aqueous solubility. The aim of this study was to enhance the aqueous solubility of formononetin using a solvent-free hot-melt extrusion (HME) approach and to enable its incorporation into a hydrogel formulation suitable for skin delivery. Amorphous formononetin-based systems were prepared by HME using polymeric carriers and hydroxypropyl-β-cyclodextrin, with and without prior inclusion complex formation. The resulting formulations were characterized using XRPD, DSC, and FT-IR/ATR to assess amorphization and intermolecular interactions. Aqueous solubility and skin permeability were evaluated using solubility testing, PAMPA, and Franz diffusion cells. The optimized amorphous system exhibited a substantial increase in apparent aqueous solubility compared to crystalline formononetin while maintaining comparable permeability. Cyclodextrin–formononetin interactions were effectively generated during the extrusion process, rendering pre-inclusion unnecessary. The selected system was successfully incorporated into a hydrogel matrix. This study demonstrates that solvent-free HME combined with cyclodextrins is an effective strategy for improving formononetin solubility and enabling its application in hydrogel-based topical delivery systems. Full article

The sustainable conversion of agricultural waste biomass, particularly crop residues such as corn stover, into high-value products is vital for reducing their open-field burning and mitigating environmental hazards. The hydrothermal carbonization (HTC) process integrated with natural deep eutectic solvents (NADES) presents an alternative approach for valorizing biomass into lignin-rich solid fuels and fermentable sugars for bioethanol production. In this study, corn stover was subjected to HTC using deionized (DI) water, a xylose-based NADES (ChCl:Xy:W), and an oxalic acid-based NADES (ChCl:OA:W) in a 150–300 °C temperature range to optimize both solid fuel and sugar stream yields. Characterization, including fiber analysis, SEM, FTIR, EDS, and bomb calorimetry, was conducted to evaluate structural, compositional, and energetic transformations. The results explored the HTC process, restructuring the biomass, promoting extensive hemicellulose solubilization and cellulose depolymerization, as well as substantially enriching lignin and polymerized compounds with increasing temperature. In addition, the DI water at 300 °C generated a lignin-rich residue, the Xy-based NADES effectively removed ash and extractives, and the OA-based NADES produced the most carbon-dense hydrochar with the highest calorific value. Collectively, these findings demonstrate that solvent-assisted HTC may be employed as a possible strategy for the valorization of agricultural residues into high-energy solid fuels. Full article

Triacetin (TA) is a solvent commonly used in pharmaceutical and food applications, and as a plasticizer in bioplastics such as poly(lactic acid) (PLA) and cellulose acetate (CA). L-lactide is the monomer used in the ring-opening polymerization of PLA. The structure of TA emulsions stabilized by a cellulose hydrogel (CH) was imaged in this study. The emulsions were prepared by mechanical homogenization or a two-step process with subsequent high-pressure homogenization (HPH). The two-step process yielded smaller TA droplets and a more homogeneous CH dispersion. The images demonstrate that emulsion stabilization is due to CH particles adsorbed at the TA–water interface. The ester hydrolysis of TA and a lactide/TA solution by two industrially important lipases, from Candida rugosa (CRL) and Burkholderia cepacia (BCL), was investigated, assessing the effect of CH as an emulsion stabilizer. Mechanically homogenized TA emulsions were effectively hydrolyzed. Lactide was found to inhibit the enzymatic hydrolysis of TA. This inhibition was mitigated by CH for CRL-catalyzed hydrolysis but not for BCL catalysis. These results indicate a synergistic effect of CH stabilization on the interfacial activation of CRL. Thise effect may also be relevant for the biodegradation of bio-derived plastics and their fibrous cellulose composites. Full article

The aza-Michael reaction is a fundamental transformation for carbon–nitrogen bond formation, providing efficient access to β-amino carbonyl compounds, nitriles, and related nitrogen-containing building blocks of broad importance in medicinal chemistry and organic synthesis. Over the past two decades, ionic liquids (ILs) have attracted considerable attention as alternative reaction media, promoters, and catalysts for aza-Michael reactions, owing to their distinctive physicochemical properties and tunable structures. This review presents a comprehensive and critical overview of ionic-liquid-mediated aza-Michael reactions, emphasizing the evolution of IL design from early imidazolium-based systems to modern task-specific, supported, and bio-derived ionic liquids. Conventional room-temperature ionic liquids are discussed as non-innocent solvents capable of stabilizing charged intermediates and enhancing electrophilicity, thereby enabling catalyst-free or metal-assisted aza-Michael additions. Subsequent sections focus on task-specific ionic liquids incorporating Brønsted acidic, basic, hydrogen-bond-donating, or bifunctional motifs, highlighting how rational structural design translates into improved activity, selectivity, and substrate scope. Particular attention is devoted to guanidine-, DABCO-, and DBU-based ionic liquids, where mechanistic studies reveal cooperative activation modes rather than simple acid–base catalysis. Recent advances in supported and polymeric ionic liquids are also reviewed, demonstrating effective strategies to combine IL-like reactivity with enhanced recyclability and operational simplicity. Overall, this review clarifies the diverse roles of ionic liquids in aza-Michael chemistry and outlines current challenges and future perspectives toward more sustainable and efficient C–N bond-forming methodologies. Full article

Integrating environmental sustainability into chemical sensor research is no longer optional and must be addressed at the laboratory scale, where material selection, fabrication strategies, and end-of-life management are defined. Although chemical sensors benefit from miniaturization and disposable architectures, their environmental footprint extends beyond the device geometry to include the electrode substrates, functional coatings and auxiliary materials. In this context, sensors based on molecularly imprinted polymers (MIPs), which are entirely synthetic and artificially engineered materials, pose specific sustainability challenges related to material choice, processing, regeneration and disposal. Addressing these aspects in a systematic and quantitative manner is therefore essential to aligning high analytical performance with sustainable sensor design. This review surveys and critically discusses the strategies currently adopted to improve the environmental sustainability of MIP-based sensors, covering key stages of the MIP sensor lifecycle, including monomer and crosslinker selection, fabrication routes, operational aspects, and end-of-life management. Representative approaches such as the use of bioderived polymerization components, low-impact solvents, cleaner analyte removal methods, and low-energy polymerization techniques are analyzed, highlighting their advantages, limitations, and cost-related trade-offs. To move beyond the qualitative assessment of greenness, sustainability is addressed through Lifecycle Assessment (LCA) and AGREE-based metrics, highlighting the importance of functional units, use phase inventories, and regeneration strategies in reducing overall environmental impacts. The review concludes by proposing actionable guidelines to support the transition of MIP-based sensors from sustainable laboratory fabrication to real-world environmental monitoring applications. Full article