Search Results (126)

Background/Objectives: Hot-melt injection molding (HMIM) was evaluated as a solvent-free process for the preparation of glibenclamide (GLB), a poorly soluble BCS Class II drug, glassy solutions with the objective of improving dissolution and bioavailability for diabetes. Methods: GLB was blended at a concentration of 10% w/w with PVP K25, PVP VA64, and Soluplus^® (SOL) matrices. The miscibility of the GLB–polymer systems (matrices) was calculated based on the Hansen solubility parameters and validated using differential scanning calorimetry (DSC) analysis. The HMIM extrudates were milled into granules and analysed for their solid-state properties (DSC, XRPD, FTIR, and SEM studies), and flow properties. The produced granules were compressed into immediate release tablets and assessed for in vitro performance, stability, and in vivo bioavailability using 20 healthy male Sprague Dawley rats. Results: Findings revealed the formation of single-phase glassy solutions, specifically for PVP VA64 and SOL, which also exhibited advantageous manufacturing and extrudate clarity. The glassy solution formulations showed considerably improved dissolution characteristics compared with the crystalline GLB and the commercial product. The glassy solution formulations displayed fast drug release for PVP K25 and PVP VA64, and biphasic drug release for SOL. Stability testing confirmed the capability of PVP VA64 and SOL to maintain GLB in a molecularly dispersed, amorphous state for 12 months. The in vivo assessment revealed an increase in relative bioavailability to 246.3% and 124.5% for the SOL and PVP VA64 formulations when compared to the commercial formulation. Conclusions: Overall, the findings demonstrate the potential of HMIM-processed glassy solutions, especially those prepared using SOL, as promising platforms for promoting oral delivery of the poorly soluble antidiabetic GLB. Full article

Expanded polystyrene (EPS) waste poses a major environmental concern due to its high volume, low density, and resistance to biodegradation. In this study, post-consumer EPS was reprocessed into continuous microfibers by Air Jet Spinning (AJS) using chloroform and chloroform/D-limonene as solvent systems. The effects of polymer concentration, air pressure, and solvent ratio on fiber formation were systematically investigated through rheological and surface tension analyses. The incorporation of 10 vol. % D-limonene improved jet stability and reduced bead formation, attributed to its lower volatility and favorable solubility with EPS, as supported by Hansen solubility parameters. SEM analysis confirmed uniform microfiber formation within a defined processing window. FTIR spectra indicated preservation of the polystyrene chemical structure, while TGA and DSC analyses were used to evaluate thermal behavior and assess potential residual solvent retention, particularly related to D-limonene. The results elucidate the interplay between solvent volatility, solution properties, and fiber morphology, establishing a sustainable processing framework for converting EPS waste into value-added fibrous materials via AJS. This work contributes to the United National Sustainable Development Goals, particularly SDG 12 (Responsible Consumption and Production) by promoting EPS waste valorization, and SDG 13 (Climate Action) through the partial replacement of conventional solvents with sustainable alternative. Full article

The solubility values of polyphenolic compounds in different extraction solvents are crucial for their recovery from natural matrices. Hansen solubility parameters (HSPs) stand out as a predictive tool for evaluating solute-solvent affinity and thus rational solvent selection for extraction processes. In this study, HSPs of trans-resveratrol and hesperetin were calculated using a semi-empirical method to assess the capability to predict the solubility behavior of both polyphenols in organic binary solvent mixtures. Experimental solubility of both polyphenols was determined in up to 21 monosolvents at 298.15 K and 0.1 MPa and used to classify them to iteratively calculate HSPs. Calculated HSPs were compared and discussed with literature values in terms of molecular interactions, demonstrating a fair agreement. Solubility of trans-resveratrol and hesperetin was then determined in methanol + MEK, ethanol + MEK, methanol + MiBK, ethanol + MiBK, and methanol + ethanol binary solvent mixtures. trans-Resveratrol achieved higher mole fraction solubility than hesperetin in all binary mixtures across the whole molar fraction range except in methanol + MiBK. Both compounds exhibited enhanced solubility in all alcohols + ketone binary mixtures, attributed to synergistic solvent effects. HSP analysis revealed a minimum Hansen distance between solute and solvent mixtures at compositions corresponding to the solubility maximum in synergistic systems. Additionally, calculated HSPs proved to effectively estimate the concentration at which this phenomenon occurs in all tested systems, reaching a robust correlation between maximum solubility and minimum Hansen distance. Overall, insights from this study underscore the effectiveness of experimentally derived HSPs in predicting the solubility behavior of polyphenols and seek to provide valuable guidance on solvent selection strategies for the recovery of bioactive compounds. Full article

Non-covalent molecular self-assembly serves as a distinctive strategy for enhancing the mechanical performance of lignin-based composite hydrogels. Nevertheless, the self-assembly process can be significantly influenced, leading to alterations in the nanostructure of the hydrogel, because of the diverse conformational reorganizations of lignin in different solvents. In this research, a solvent exchange process was employed to generate a phase-separated structure comprising hydrophobic lignin domains and hydrophilic poly(N,N-dimethylacrylamide) (PDMA) domains through the aggregation of lignin, thereby forming tough lignin/PDMA hydrogels. By adjusting the solvent composition, the hydrogels exhibit distinct nanostructural transformations that are precisely correlated with the changes in Hansen Solubility Parameters (HSPs) of the solvent mixtures. Balanced HSPs facilitates the formation of small-scale lignin domains with high-domain density, which act as crosslinking points for the establishment of a reinforced network. Remarkably, lignin/PDMA hydrogels prepared at a boundary solvation condition unexpectedly induced the formation of large and highly condensed lignin domains, which displayed a radius of gyration (Rg) of 7.7 nm and an inter-domain distance (d-spacing) of 98.1 nm within the hydrogel network. These unique nanostructural features further contribute to its superior mechanical performance, including excellent tensile strength of 3.2 MPa, Young’s modulus of 5.7 MPa, and fracture energy of 41.2 kJ m⁻², which outperforms most reported lignin hydrogels. Additionally, it offers a strong adhesion and rapid drying approach, rendering the hydrogel more suitable for applications as hydrogel coatings. Full article

Objective: In this work, we look at Hansen solubility parameters (HSPs) to predict drug miscibility with polymers, in order to create a saturated amorphous drug phase. Methods: We used the Yamamoto molecular break (Y-MB) group contribution method (GCM) and solvent experiments to establish HSPs for PLA and 12 model drugs. Drug-loaded samples were made using solvent casting (SC) and vacuum compression moulding (VCM) in incremental drug concentrations until a saturated amorphous drug load was achieved. The amorphous drug phase was confirmed by X-ray diffraction after 24 h. These amorphous samples were further analysed by HPLC to confirm drug concentration. These drug concentrations were expressed as volume concentration in PLA, and they correlate with linearised HSP distance between drug and polymer. Results: This gives a statistically significant linear correlation between drug concentration and HSPs with R² values ranging from 0.85 to 0.93 for SC and VCM methods. Conclusions: This work entails a possible concept for novel application of HSPs to predict miscible drug–polymer pairs and to estimate amorphous saturation concentration. Full article

Solution-processed OLEDs represent a low-cost, scalable alternative to vacuum-deposited devices, particularly for flexible and large-scale applications. However, selecting compatible materials for each layer remains a complex task, further complicated by inconsistent documentation, solvent interactions, and limited reproducibility across the literature. This work presents a literature review and critical analysis of materials, solvents, and fabrication methods involved in solution-processed OLEDs, with particular attention to layer formulation, solvent orthogonality, and processing constraints. A Monte Carlo-based optimization framework is introduced as a proof of concept, aiming to formalize stack selection and explore viable combinations based on empirical constraints. The critical analysis highlights recurring issues in the field and advocates for a more structured, reproducibility-oriented approach to OLED design. Full article

This work presents an approach to water-dispersible polylactide (PLA) particle fabrication and their application in low-temperature film formation using a combination of mechanical dispersion and ultrasonication techniques. Stable PLA dispersions were obtained after removal of surfactant and allowed for thin-film preparation, exhibiting a significantly reduced minimum film formation temperature (MFFT) from 128 °C to 80 °C after reducing the characteristic particle size from ~2.2 µm to ~140 nm. To tailor the interfacial behavior and mechanical flexibility of the resulting coatings, a set of conventional and bio-based plasticizers was evaluated, including epoxidized fatty acids, PEG-400, and several hydrophobic deep eutectic solvents (HDESs) synthesized from menthol and carboxylic acids. Compatibility between PLA and each plasticizer was predicted using Hansen solubility parameters. The efficiency of plasticization was assessed through glass transition temperature suppression in solvent-cast films. The combination of submicron PLA particles and selected plasticizers enabled film formation at temperatures as low as 48 °C, confirming the potential of these systems for energy-efficient coating technologies. Furthermore, composite coatings incorporating micro-sized cellulose fibers (L/D ≈ 10.5–11.5) regenerated from agricultural residues were successfully obtained, demonstrating the feasibility of integrating bio-derived fillers into waterborne PLA formulations. In this study, the use of water-insoluble deep eutectic solvents type plasticizers for PLA coatings from water dispersions was reported for the first time. This establishes a foundation for developing sustainable, low-VOC, and low film formation temperature PLA-based coating materials. Full article

Lipid nanocarriers present an opportunity to improve conventional drug delivery. In addition, the concomitant use of naturally occurring products with conventional medicines is garnering traction in therapeutic and cosmetic applications. Despite these advances, the rational design of lipid nanoparticles, including lipid selection, remains a challenge. We previously validated the use of Hansen solubility parameter (HSP) predictions for selecting synthetic lipids for utilization in lipid nanocarrier manufacture. Herein, we aimed to validate the use of HSP data to predict minoxidil solubility in natural and/or essential oils with known hair growth activity. We employed a dual-tiered screening strategy that integrated HSP predictions and experimental validation. Experimentally, minoxidil showed the highest solubility in shea butter, stearic acid, and rosemary oil. Further, the latter two lipids exhibited the lowest drug-lipid solubility parameter differences (ΔδT = 6.8 and 6.1 MPa^1/2, respectively) and Relative Energy Difference values (1.28 and 1.61, respectively), aligning with the abovementioned laboratory experimental determinations. These findings provide a platform for the streamlined selection of natural oils which can enhance the solubility of minoxidil, in turn having implications for drug loading and/or encapsulation efficiency in formulation of lipidic carriers with potential synergistic hair growth potential. Moreover, this work adds to our understanding of reduced empirical excipient selection for potential decreased associated material costs during formulation development of lipid nanocarriers. Full article

Electrospinning is a versatile technique for producing polymer nanofibers whose morphology strongly influences their properties. This work developed predictive and inferential models for fiber diameter based on solution and process parameters. Polymer–solvent compatibility was described through cohesive energy-based solubility parameters such as Hansen and Flory–Huggins ( χ ). Twenty Generalized Linear Models (GLMs) were trained using both the raw response (Y) and its natural logarithm (ln Y) under Gaussian, Gamma, and Inverse Gaussian distributions with different link functions. Models using ln Y showed better goodness-of-fit, with the Gamma distribution and identity link performing best. The final model, optimized via AIC-forward selection, achieved RMSE = 0.5862, Corr² = 0.7803, and MAPE = 0.0775. The Flory–Huggins parameter and solution concentration were identified as the most influential predictors, providing a reliable framework for controlling nanofiber diameter in electrospinning processes. Full article

Microalgae are considered a potential source of fatty acid esters that are suitable for biodiesel production. However, a principal bottleneck in lipids extraction is related to the selection of appropriate solvents in order to obtain an efficient process. In this work, a simple methodology based on Hansen Solubility Parameters (HSP) was developed, aiming to solvent screening towards selective extraction of lipid compounds: main parameters that were considered for an optimum solvent included the partitioning of free fatty acids and other non-desired solutes, e.g., pigments and phospholipids, as well as the minimum water dissolution. The method takes into account the affinity of a candidate solvent with desired and non-desired solutes along with their relative differences. A large number of solvents (>5000) were scanned by this method for their capacity to selectively extract fatty acid esters from microalgae biomass, and hexane proved to be among the optimum solvents. This prediction was supported by the Snyder’s polarity index as well as ab initio quantum mechanical Density Functional Theory (DFT) calculations of the Gibbs free energy of solvation and partition coefficients. Moreover, model validation carried out by liquid–liquid extraction of algal liquor with hexane and other solvents, and measurement of lipids allocation using paper chromatography and spectroscopy. Low lipids yield was observed, while the extract was enriched in fatty acid esters. A critical discussion is provided regarding the low yield ratios and potential implications due to overestimation of lipids content in microalgae. Full article

One of the current and serious environmental problems is the pollution due to microplastics. There is an urgent need for biodegradable and bio-based materials for numerous applications, including food packaging. In this work we examine the bio-based polyester cutin for its potential to be used as food packaging material, in terms of migration, based on the Hansen Solubility Parameters (HSP). Cutin is a cross-linked polymer that is swelled by various solvents. We use the degree of swelling of cutin in carefully selected solvents of various polarities in order to estimate the HSP of cutin. Some solvents can induce alteration of the chemical structure of cutin, as proven by Fourier Transform Infrared (FTIR) measurements. This interferes with the process of estimation of the HSP and is discussed in depth. The distance R_a and the Relative Energy Difference (RED) between the HSP of cutin and various food components are calculated and used to predict the existence of favorable interactions between cutin and the food components, which is translated to a high probability for the existence of migration and permeation. Experimental confirmation of one prediction based on HSP is provided by UV-VIS photometry. Similar calculations were performed for other polyesters (poly(lactic acid) and poly(hydroxy butyrate)). Cutin exhibits compatibility with substances of low polarity, such as fats and lipids and non-polar compounds found in essential oils. Thus, migration into fatty foods is expected as well as sorption and permeation of some (volatile) compounds into cutin. Nevertheless, we conclude that the overall migration risk for cutin is lower than the one of other bio-based polyesters. HSP can be used for initial screening of potential migration risks; however, further research is necessary in order to assess the occurrence, extent, and significance of the actual migration. Full article

The substitution of hazardous, environmentally persistent solvents (NMP and DMAc) with more sustainable alternatives (ETAc and GBL) in fabricating flat sheet polyactic acid (PLA) membranes via nonsolvent-induced phase separation for air filtration applications was the focus of this study. The polymer-solvent affinity was first evaluated using Hansen solubility parameters, confirming suitable Relative Energy Difference (RED) values (<1) for all solvent candidates. Dope solutions prepared with biodegradable solvents demonstrated higher viscosity compared to those prepared with environmentally persistent solvents. These biodegradable solvent systems also exhibited slower precipitation rates during membrane formation. This resulted in spongelike cross-sectional morphologies, contrasting with the combined fingerlike and spongelike structures observed in membranes fabricated with environmentally persistent NMP and DMAc. Thermal analysis revealed that membranes fabricated with biodegradable solvents exhibited superior thermal stability with higher glass transition temperatures (Tg = 54.39–55.34 °C) compared to those made with environmentally persistent solvents (Tg = 49.97–50.71 °C). Membranes fabricated with ethyl acetate (ETAc) showed the highest hydrophobicity (contact angle = 115.1 ± 9°), airflow rate (12.7 ± 0.28 LPM at 0.4 bar) and maintained filtration efficiency at values greater than 95% for 0.3 μm aerosols. Full article

In this work a multi-criteria analysis and an optimization tool were developed, which allows the substitution of fossil-based solvents with bio-based alternatives based on Hansen solubility parameters and various physical parameters, such as the boiling point, evaporation rate, viscosity or wetting behavior. The proof of concept was achieved by formulating two different paints used in coil coatings using the bio-based solvents, and they performed equally as well as their fossil-based counterparts. A potential decrease in CO₂ emissions was determined by a life cycle assessment and cradle-to-grave analysis of bio- and fossil-based solvents, which showed a large sustainability bonus when using solvents based on biomass. The introduced methodology provides initial insights into substituting currently used solvents systematically. Overall, implementing bio-based solvents is a viable drop-in method to decrease the environmental impact of paints and coatings, while maintaining the same performance. Full article

A new method is presented for the estimation of contributions to solvation free energy from dispersion, polar, and hydrogen-bonding (HB) intermolecular interactions. COSMO-type quantum chemical solvation calculations are used for the development of four new molecular descriptors of solutes for their electrostatic interactions. The new model needs one to three solvent-specific parameters for the prediction of solvation free energies. The widely used Abraham’s LSER model is used for providing the reference solvation free energy data for the determination of the solvent-specific parameters. Extensive calculations in 80 solvent systems have verified the good performance of the model. The very same molecular descriptors are used for the calculation of solvation enthalpies. The advantages of the present model over Abraham’s LSER model are discussed along with the complementary character of the two models. Enthalpy and free-energy solvation information for pure solvents is translated into partial solvation parameters (PSP) analogous to the widely used Hansen solubility parameters and enlarge significantly their range of applications. The potential and the perspectives of the new approach for further molecular thermodynamic developments are discussed. Full article

Background: The limited aqueous solubility of BCS Class II drugs, exemplified by itraconazole (ITR), continues to hinder their bioavailability and therapeutic performance following oral administration. The present study investigated the development of amorphous solid dispersions (ASDs) of ITR via continuous manufacturing technologies, such as hot melt extrusion (HME) and spray drying (SD), to improve drug release. Methods: Polymer selection was guided by Hansen solubility parameter (HSP) analysis, film casting, and molecular modeling, leading to the identification of aminoalkyl methacrylate copolymer type A (Eudragit^® EPO), polyvinyl caprolactam–polyvinyl acetate–polyethylene glycol graft copolymer (Soluplus^®), and hypromellose acetate succinate HG (AQOAT^® AS-HG) as suitable carriers. ASDs were prepared at drug-to-polymer ratios of 1:1, 1:2, and 2:1. Comprehensive characterization was performed using ATR-FTIR, NMR, DSC, PXRD, SEM, PLM, and contact angle analysis. Results: HME demonstrated higher process efficiency, solvent-free operation, and superior dissolution enhancement compared to SD. Optimized HME-based ASDs were formulated into tablets. The ITR–Eudragit^® EPO formulation achieved 95.88% drug release within 2 h (Weibull model, R² > 0.99), while Soluplus^® and AQOAT^® AS-HG systems achieved complete release, best described by the Peppas–Sahlin model. Molecular modeling confirmed favorable drug–polymer interactions, correlating with the formation of stable complex and enhanced release performance. Conclusions: HME-based continuous manufacturing provides a scalable and robust strategy for improving the oral delivery of poorly water-soluble drugs. Integrating predictive modeling with experimental screening enables the rational design of ASD formulations with optimized dissolution behavior, offering potential for improved therapeutic outcomes in BCS Class II drug delivery. Full article