Enhancing the weather resistance of outdoor coatings is an important challenge. Herein, hollow titanium dioxide is synthesized and incorporated into the acrylic resin to improve the weather resistance. While titanium dioxide can absorb and scatter UV radiation, the presence of hollows in these materials further enhances the weather resistance of acrylic coatings. For this purpose, polystyrene templates are used to synthesize hollow titanium dioxide with an average size of 350 nm. The morphology and structure of the particles are investigated by FESEM, XRD, and FTIR. Furthermore, an attempt is made to prove the hollowness of particles with more comprehensive and easier methods based on properties of coating. In the next step, the efficiency of the synthesized particles in protecting the coating is evaluated by QUV testing. The results show that after 300 h in QUV chamber, the yellowness of the blank coating, containing hollow particles sample, and containing organic UV absorber sample are 4.048, 1.327, and 0.492, respectively. The color differences (Delta E) of the mentioned coatings are obtained in the same order as 5.749, 1.494, and 2.329. These results demonstrate that the use of synthesized particles increases the lifetime of the coating and reduces costs.

Designing biomimetic scaffolds capable of recapitulating both the structural and biochemical cues of native bone remain a critical challenge in bone tissue engineering. In this study, we report a hierarchically bimodal poly (epsilon-caprolactone) (PCL) scaffold reinforced with phospho-calcified graphene oxide (GO-Ca), engineered to provide synergistic physicochemical and osteoinductive functionalities. Phospho-calcification endowed GO nanosheets with Ca/P-rich domains, which were uniformly distributed within a bimodal porous PCL architecture, yielding enhanced hydrophilicity and controlled degradation behavior. In vitro evaluation using human mesenchymal stem cells (hMSCs) demonstrated significantly improved cell adhesion, proliferation, alkaline phosphatase activity, and matrix mineralization compared with pristine PCL scaffolds. The integration of hierarchical porosity with bioactive GO-Ca establishes a multifunctional platform that effectively promotes osteogenic differentiation, highlighting its strong potential as a next-generation scaffold for bone regeneration and future translational and in vivo applications.

Advancing polymeric materials requires understanding how molecular reactions couple with macroscopic transport during processing and service. This chapter reviews multiscale modeling of reactive polymer systems, focusing on coupling Reactive Molecular Dynamics (RMD) with Smoothed Particle Hydrodynamics (SPH). RMD resolves bond breaking, formation, and reaction kinetics, while SPH represents large-scale flow, heat transfer, and rheology. Their integration enables a unified framework for simulating polymerization, cross-linking, degradation, and flow-driven reactions under realistic conditions. Theoretical foundations and coupling strategies including domain decomposition, bridging-scale methods, adaptive resolution, and concurrent simulations are discussed. Applications such as reactive extrusion, phase separation, gelation, and pyrolysis highlight predictive capability. Key challenges remain in temporal coupling, reactivity transfer, force-field transferability, and reliable validation. Future directions include AI-enhanced coupling and quantum-informed reactive potentials.

The emergence of smart materials that dynamically respond to different stimuli has grown as a result of advances in materials science and engineering. Stimuli-induced chromic hydrogels have recently been studied due to their vibrant colorations in response to various stimuli. The chromism caused by environmental stimuli, originating from structural or chemical changes within the hydrogel network, affects the optical characteristics. In the case of reversible and quick color change, such chromic hydrogels are applicable in different areas, such as contact lens devices, drug delivery, anticounterfeiting, and smart windows. After providing a fundamental overview of hydrogels, the review introduces stimuli-responsive hydrogels with a focus on chromic features. Pertinent research studies that highlight the mechanisms, materials, and performance of various types of chromic hydrogels, such as photochromic, thermochromic, solvatochromic, halochromic, magnetochromic, mechanochromic, and electrochromic systems, are reviewed in this study. The main goal of this thorough review is to offer insightful information about the functionality, design, and possible applications of chromic hydrogels in cutting-edge smart technologies.

One of the most critical challenges facing human societies is environmental pollution resulting from the excessive use of polymeric materials and the adherence of their consumption patterns to the linear economy model. To address these challenges, sustainable polymers have garnered significant attention because they can be recycled, composted, or biodegraded at the end of their life cycle, while also demonstrating reduced environmental impact throughout their lifespan. Self-immolative polymers, degradable polymers, and reprocessable polymers are different types of sustainable polymers that have emerged as particularly promising candidates owing to the presence of reversible and dynamic bonds in their structures. Accordingly, this review begins by exploring polymer recycling methods and then discusses sustainable polymers, with a particular focus on the incorporation of reversible and dynamic chemistry into these materials. Reversible covalent bonds are broken and formed by induction of different stimuli or different states of one stimulus. Dynamic chemistry provides powerful molecular tools for designing constitutionally dynamic materials capable of self-healing, adaptation, reprocessing, and recycling. Dynamic covalent bonds (DCBs) are divided into five groups (pH-, redox-, photo-, thermal-, and mechano-responsive linkages) based on their responsiveness to external stimuli and are discussed in detail. Additionally, this review highlights emerging technologies, such as light-based 3D printing, printable vitrimers, and sustainable foams, rubbers, and adhesives, that incorporate reversible or dynamic covalent chemistries into integrated systems, opening new avenues across diverse scientific fields. Finally, the review addresses current challenges and future opportunities, emphasizing the transformative potential of reversible or dynamic covalent polymers in advancing a more sustainable polymer industry.

The aim of this work was to merge the characteristics of star polymers with polyampholytes to address the issue of treating colored wastewater. To achieve the intended objective, homopolymers derived from acrylic acid were synthesized using reversible addition-fragmentation chain transfer (RAFT) polymerization with the monomer/RAFT agent ratios of 70, 130, and 200. The homopolymers were linked to the poly(2-(dimethylamino)ethyl acrylate) core using RAFT polymerization in an inverse emulsion polymerization. Star polymers had molecular weight 45 times more than homopolymers with worm-like structures, spheres of various sizes, cubic, and hexagonal morphologies during self-assembly studies at pH = 2, 4.5, 8, and 10. This study investigated the adsorption characteristics of methyl orange (MO) and methylene blue (MB), as well as their concurrent adsorption which were affected by pH, time, molecular weight, and dye concentration. At pH = 10, MB adsorption was maximum, whereas MO adsorption was the highest at pH = 2. Simultaneous adsorption of two dyes showed a similar pattern, although electrostatic forces may result in reduced adsorption. Moreover, adsorption effectiveness increased with molecular weight. Fitting the adsorption data with pseudo-second-order (PSO) kinetic model and Freundlich isotherm suggested that the adsorption process occurring on heterogeneous adsorbent surfaces can be attributed to chemisorption.

Polypropylene (PP) is a commonly used polymer that offers an excellent balance of physical, chemical, and mechanical properties with outstanding cost savings. Ziegler-Natta (ZN) catalyst systems have been the central technology for increasing polypropylene performance, mainly through improved isotacticity, crystallinity, and processability. In this study, the effect of three external electron donors (EDs), including dicyclopentyl dimethoxy silane (Donor D), cyclohexyl dimethoxy methyl silane (Donor C), and tetraethyl orthosilicate (Donor T), on the structural and physicochemical properties of PP produced by ZN catalyst was systematically investigated. Donor D displayed much higher catalytic results among the tested donors, achieving a catalyst activity of 35.49 kg PP/g cat., and an isotactic index over 98

The distinct electrical and magnetic characteristics of its lanthanide (Ln3+) ions have made lanthanide-based Metal-Organic Frameworks (Ln-MOFs) an important family of materials. This paper offers a thorough summary of how these ions' unique f-orbitals allow for a variety of innovative applications, especially in the areas of energy storage, corrosion prevention, and smart sensing. After providing an overview of the synthesis processes of Ln-MOFs, which frequently involve solvothermal or hydrothermal methods, the paper provides a detailed account of their complex structures, emphasizing their large surface areas, high porosity, and adjustable frameworks. The coordination chemistry basics of these MOFs are covered in considerable detail, highlighting the vital function of the f-orbitals, which are protected from outside ligands and environments and maintain the inherent characteristics of the lanthanide ions. Their multifunctional capabilities are largely due to the persistent magnetic moments and bright, distinctive luminescence spectra that result from this shielding. The review's main focus is on the various uses of MOFs based on lanthanides. Since their porous nature allows them to incorporate corrosion inhibitors for on-demand release, lanthanide structures are being considered as possible protective coatings or self-healing systems for corrosion protection. The article looks at how they are used in energy storage in supercapacitors and batteries, where their large surface area and structural stability allow for dependable cycling performance and quick ion diffusion. Lastly, the paper explores their application in smart sensing, where Ln-MOFs' special luminescence characteristics, specifically, their long luminescence lifetimes and narrow emission bands, make them perfect for highly sensitive and selective analyte detection. The purpose of this review is to provide insights for future materials science research and development by relating the advanced functionalities of Ln-MOFs to the basic coordination chemistry of lanthanides.

The elimination of synthetic dyes from industrial effluents represents a persistent environmental challenge. Developing sustainable and effective adsorbents is essential to preserve global water resources. In this study, we introduce an efficient and facile strategy for methylene blue removal from aqueous systems using halloysite nanotubes functionalized with polydopamine. The polydopamine coating generated a dense array of active adsorption sites, as confirmed by X-ray photoelectron spectroscopy, energy-dispersive X-ray spectroscopy, thermogravimetric analysis, and zeta potential measurements. Porosity characterization and X-ray diffraction provided complementary insight into the structure and morphology of the hybrid nanotubes. We systematically investigated the influence of contact duration and solution pH on dye uptake by pristine and functionalized nanotubes. Kinetic evaluation revealed excellent agreement with the pseudo-second-order model (R2 > 0.999), yielding rate constants of 0.002 and 0.003 g·mg-1·min-1 for samples treated with polydopamine for 6 and 24 h, respectively. The equilibrium adsorption data were analyzed using Langmuir and Freundlich isotherms, showing that functionalized nanotubes achieved a maximum adsorption capacity of 86 mg·g-1 at 25 °C and pH 10 - almost double that of pristine HNTs (47 mg·g-1). The high adsorption efficiency, comparable to conventional adsorbents such as zeolites, together with the simplicity and environmental compatibility of the functionalization procedure, underscores their suitability for real-world wastewater applications. Additionally, the demonstrated applicability of this modification method to other dye-adsorbent systems highlights its adaptability and broad potential.

Nanomaterials, known for their small size, quantum effects, high surface-to-volume ratio, optical properties, hardness, fracture toughness, and higher strength than bulk materials, have attracted significant interest. These materials have shown promising results in water purification owing to their catalytic capabilities and high absorption capacities. Human-caused contamination of water resources has led to the introduction of hazardous and poisonous chemical compounds, necessitating the development of novel nanoabsorbents for their removal from aqueous environments. Nevertheless, there are two main drawbacks to the application of nanoparticles as adsorbents: they produce secondary waste and have limited selectivity. Therefore, the development of effective adsorbents with high selectivity towards certain pollutants is urgently required. Recently, polymers have gained increasing attention for enhancing the removal efficiency of nanomaterials owing to their substantial removal capability, rapid kinetics, unique physicochemical properties, and excellent selectivity. Therefore, various methods have been developed to coat nanomaterial surfaces with polymers, including polymer grafting, layer-by-layer assembly, polymer self-assembly, polymer adsorption, and emulsion polymerization. Furthermore, among the various polymers used to improve the adsorption characteristics of nanomaterials, polydopamine (PDA) is a novel nature-inspired polymer. Their unique properties and molecular structure have garnered considerable attention and extensive research from scholars in recent times. The distinctive attributes of PDA include biocompatibility, biodegradability, exceptional adhesive properties, ease of polymerization, and the presence of functional groups such as amines and catechols. Consequently, this review provides critical insights into the design and utilization of PDA-based nanomaterials for water-treatment purposes

This study focuses on encapsulating curcumin (CUR) with low water solubility in polycaprolactone (PCL) particles using the emulsion evaporation method. In order to obtain particles with desired properties, a pH-sensitive emulsifier is synthesized by reversible addition fragmentation chain transfer (RAFT) polymerization. The properties of particles obtained from commercial (Pluronic P105) and synthetic emulsifiers, ABP-1 and ABP-2 (with different HLB values), were evaluated. The morphology of the final particles formed by ABP-1 is spherical and more uniform. The molecular structure design of ABP-1 enabled the production of particles with a narrow size distribution, a feat not achievable with Pluronic P105. The optimal sample prepared from ABP-1, with an entrapment effectiveness (EE%) of 78.4% and an average particle size of 258 +/- 12 nm, was able to deliver CUR in a controlled manner. Also, zeta potential values show that ABP-1 is well separated from the drug-carrying particles in the washing phase, and the particles without emulsifier were evaluated to investigate the drug release. Among other models, the Weibull model showed the best agreement with the experimental data, and based on beta parameter value of 0.46, it can be concluded that the drug release mechanism is Fickian. The particles synthesized using both methods give outstanding antibacterial activity (99.9%).Highlights Synthesis of a pH-responsive block copolymers by reversible addition fragmentation chain transfer (RAFT) polymerization. Application of the block copolymers as smart emulsifier. Preparation of polycaprolactone (PCL) nanoparticles containing curcumin by evaporation emulsion method. The dominance of Fickian diffusion in drug release. Excellent antibacterial properties over a period of time.

Both human health and marine life are seriously threatened by crude oil spills into bodies of water. For effective crude oil spill cleaning, we created a magnetic polystyrene (m-PS) nanocomposite. The use of magnetic nanoparticles makes crude oil absorption more environmentally friendly by making it easier to collect and recycle using an external magnetic field. To make Fe3O4 nanoparticles compatible with the hydrophobic styrene monomer used in emulsion polymerization, they were treated using a hydrophobic surface modification reaction. This alteration facilitated the grafting of polystyrene (PS) chains onto the nanoparticles, which then underwent emulsion polymerization. As an emulsifier, a light-responsive amphiphilic block copolymer containing coumarin was created via reversible addition-fragmentation chain transfer polymerization. This allowed for regulated emulsification and demulsification in response to UV stimulation. The synthesized m-PS nanocomposite demonstrated a crude oil absorption capacity of up to 2.31 times of its own weight, indicating its high efficiency for crude oil spill cleanup. The synthetic emulsifier exhibited a significantly lower critical micelle concentration compared to the commercial P105 emulsifier (0.0976 against 0.354 mg/mL, respectively), indicating higher efficiency and reduced environmental impact. For a more thorough comprehension of the reported results, we also assessed the Hofmeister effect in PS produced using commercial and synthetic emulsifiers.

This study investigated the atomic and macroscopic behavior of the dimerization process of gaseous C₃H₆ monomers using Reactive Molecular Dynamics (RMD) and Smoothed Particle Hydrodynamics (SPH) methods. The RMD method was employed as a precise atomic-scale simulation capable of calculating chemical reactions within a targeted structure. On the other hand, the SPH method enabled the examination of complex systems under various conditions, offering detailed insights into fluid dynamics and material reactions. The results from the reactive processes indicated the formation of C₆H₁₂ dimers within the simulation box after 15.2 ps. The addition of the Ziegler-Natta (ZN) catalyst to the initial sample reduced this time to 10.2 ps. Moreover, the presence of the ZN catalyst altered the reaction type from endothermic to exothermic, with a final energy of -97.91 kcal.mol-1, which could be of significant interest for practical applications. On the macroscopic scale, the analysis of the stirred-bed reactor equipped with a designed helix agitator revealed structural and thermodynamic equilibrium within the initial C₃H₆ monomer sample at a temperature of 348.15 K and a pressure of 21.71 atm. This equilibrium remained unaffected upon the addition of the ZN catalyst to the monomers studied, and a suitable temperature distribution was observed within the reactor. The proper distribution of temperature and velocity among the gaseous propylene monomer particles led to stress equilibrium among the particles. With the particle mobility constrained between 0 and 0.02 m.s-1, the initiation of the polymerization process within the target reactor was confirmed. It is expected that the results obtained from the RMD and SPH simulations will contribute to the optimization of the C₃H₆ monomer to C₆H₁₂ dimer conversion process for petrochemical applications.

Halloysite nanotubes (HNTs) are fascinating carriers for the delivery of chemotherapy drugs. Surface modification of HNTs and their loading in polymer matrixes can create a delivery system with more controlled and sustained drug release. Taking this into account, in the present research, a drug delivery system was made by grafting a block copolymer of polyacrylic acid (PAA)/polyaniline (PANI) on HNT surface and incorporating copolymer-grafted HNTs into the polycaprolactone (PCL) fibers. For this purpose, PANI-b-PAA copolymer was first formed on HNT surface by grafting from strategy. Then, the copolymer-grafted HNTs and doxorubicin were loaded into PCL solution and the composite solution was processed by electrospinning. Preliminary evaluations confirmed the successful grafting of PANI-b-PAA copolymer onto HNTs. SEM and EDS analyses showed that drug loaded composite nanofibers have an average diameter of 396 nm and a uniform distribution of HNTs and doxorubicin. Drug release study revealed that composite nanofibers have less burst release and more sustained release than PCL nanofibers. Investigation of drug release mechanism by kinetics models corroborated that the drug release from composite nanofibers is mainly controlled by Fickian diffusion. Cell culture experiment verified that the composite nanofibers have higher cytotoxic effects and kill more tumor cells compared to PCL nanofibers. In summary, modifying the surface of HNT and incorporating it into PCL nanofibers can create a drug carrier with more sustained drug release and higher antitumor effects.

Nanofibrous solid electrolytes (NSEs) represent a highly promising category of architectural designs for next-generation lithium-ion batteries, through offering favorable pathways for transferring lithium ions between the interconnected tiny pores. However, the relatively low ionic conductivity observed at room temperature still poses substantial challenges that hinder their practical applications, which could be remarkably addressed by loading fillers, like oxide nanoparticles. Herein, we employed nano- and microscaled zirconia (ZrO2) particles with various concentrations (1%-5%) into the polyethylene oxide-based NSEs to approach a maximized electrochemical functionality. The results indicated a significant rise in the fraction of free lithium ions from 0.21 to 0.72 and 0.44 via loading 3% and 1% nano and micro ZrO2, respectively. The Nyquist plots exhibited the highest ionic conductivities of (2.44 +/- 0.35) x 10-4 and (2.54 +/- 0.28) x 10-4 S cm-1 in the presence of 3% and 1% nano and micro ZrO2. Additionally, incorporating the fillers resulted in an enhancement in the capacity retention from 98.75 to 151.75 (containing 3% nano ZrO2) and 146.42 mAh g-1 (containing 1% micro ZrO2) at 1C after 80 cycles. The findings illustrate a clear correlation between nanoparticle size and electrolyte performance, suggesting that the incorporation of nanoscale ZrO2 presents a viable approach to address the intrinsic limitations of PEO-based NSEs. This research provides valuable insights for the strategic design of high-performance, flexible, and secure solid-state electrolytes intended for next-generation lithium-ion batteries and other energy storage systems.

Cancer is a global health concern, with millions diagnosed annually and over half dying. Traditional treatments struggle with low bioavailability, leading to toxicity. Solutions like hydrogels, liposomes, and polymeric micelles (PMs) are proposed. A series of stimuli-responsive PMs are fabricated for doxorubicin (DOX) delivery, allowing for efficient crosslinking and cleavage through controllable photodimerization of coumarin. The block copolymers are synthesized using reversible addition-fragmentation chain transfer (RAFT) polymerization where hydrophilic block is composed of poly[2-(dimethylamino)ethyl methacrylate] (PDMAEMA), and their hydrophobic block is composed of poly(7-acryloyloxy-4-methylcoumarin-co-methyl methacrylate) (P(AC-r-MMA)). DOX is efficiently delivered using these well-defined, nontoxic and multi-responsive PMs. The dynamic light scattering (DLS) data revealed that the size of the polymer assemblies altered in response to pH, temperature changes, and UV light irradiation. The LCST of PDMAEMA shifted from 54 to 59 °C after photodimerization of the coumarin group, indicating that the thermal behavior of PMs can be controlled by light. The Weibull mathematical model was used to study in vitro drug release kinetics from multi-responsive PMs, revealing sustained and controlled release patterns of DOX. DOX release can be controlled by various triggers, the cumulative release at pH = 4.5 is almost 20

Lead is a toxic heavy metal utilized in various industrial applications, presenting considerable environmental and health hazards. Thus, its rapid detection is necessary in various industrial applications to prevent its toxic effecs. This study introduces a novel fluorescent probe utilizing perylene-3,4,9,10-tetracarboxylic diimide (PTCDI) modified with (3-cyclodextrin (B_CD) to lead ion detection and mitigate the inherent hydrophobicity of PTCDI. B_CD is initially modified with aldehyde groups (B_CDA) and subsequently linked to PTCDI through the Schiff-base reaction to produce the final PI_CDA probe. The synthesis of PI_CDA is confirmed through Fourier-transform infrared (FTIR) and nuclear magnetic resonance (NMR) spectroscopies. Field emission scanning electron microscopy (FE-SEM) demonstrates distinct self-assembly structures, transitioning from clumped aggregates in B_CD to elongated cylindrical morphologies in PI_CDA, thereby underscoring the influence of chemical modification on nanostructure formation. The probe demonstrates enhanced fluorescence emission through the photoinduced electron transfer (PET) mechanism, facilitating the selective detection of lead ions while avoiding interference from other metal cations. The detection limit of this sensor for lead ions is determined 1.6 mu M, with a maximum detection range of 55 mu M. Furthermore, PI_CDA exhibits effective lead detection in gasoline, addressing a notable environmental issue.

Cellulose nanocrystals (CNCs) are made from naturally occurring cellulose. These nanocrystals exhibit exceptional mechanical, chemical, optical, renewable, and biocompatible properties, which have made them highly attractive for various applications. Despite their many advantageous features, CNCs are inherently hydrophilic, which limits their ability to incorporate into hydrophobic polymer matrices in high-performance nanocomposites. To address this limitation, surface functionalization methods are developed to tailor the properties of CNCs for specific applications. This review highlights various physical and chemical approaches for the modification of CNCs. Physical modification is typically achieved through electrostatic interactions, while chemical modification is conducted via two main strategies of small molecule modification and polymer grafting. The latter includes three approaches of “grafting from”, “grafting onto”, and “grafting through”. In the “grafting from” technique, stimuli-responsive polymer chains capable of reacting to external stimuli grow directly on the surface of CNCs using different polymerization methods. Reversible deactivation radical polymerization (RDRP) techniques, such as atom transfer radical polymerization, reversible addition-fragmentation chain transfer polymerization, and nitroxide-mediated polymerization, are highly applicable in grafting reactions from the surface of CNCs. The “grafting onto” approach involves anchoring presynthesized polymers onto the surface of CNCs via coupling reactions. In the “grafting through” method, the surface of CNCs is functionalized using polymerizable groups (e.g., acrylic moieties) before in situ polymerization. Covalent grafting of stimuli-responsive polymers on CNCs aims to produce “smart” nanocrystals with tailored polymer chains on their surface. The RDRP methods help to manipulate the molecular weight of the grafted polymers and their dispersity, application of different functionalities, controlling the grafting density, and also site-specific modifications. These functionalized materials have diverse applications in drug delivery, antimicrobial systems, absorbents, Pickering emulsifiers, and biosensors for monitoring pH, temperature, bacterial growth, and glucose levels.

Gas-phase propylene polymerization using Ziegler-Natta catalysts is a complex process influenced by heat and mass transfer, kinetic parameters, and control strategies. This study presents a comprehensive mathematical model to simulate polymerization behavior, incorporating differential equations for temperature, monomer concentration, and polymerization kinetics. Accordingly, a Proportional-Integral-Derivative (PID) controller is designed and implemented to regulate pressure fluctuations and maintain stable reaction conditions. The numerical model is iteratively solved using the Levenberg-Marquardt method, enhancing the model's predictive accuracy for polymer properties to within 5 %. The results of the PID controller confirm its effectiveness in stabilizing pressure at 6 x 105Pa within 40 s by mitigating initial oscillations, while reactor medium temperature fluctuations are maintained within +/- 0.01 K. This leads to a significant improvement in the polymer's molecular weight distribution, with a polydispersity index (PDI) of approximately 5.3, indicating better product uniformity. Furthermore, by optimizing kinetic parameters, catalyst efficiency is enhanced, increasing polymer yield by 10 % under optimal conditions. This study integrates rigorous modeling with precise control strategies, offering valuable insights into optimizing polymerization processes to improve product quality and enhance process scalability-critical factors for real-world manufacturing applications.