Search Results (211)

Efficient and sustainable extraction of bioactive benzopyrans from Hypericum polyanthemum Klotzsch ex Reichardt (Hypericaceae) remains underexplored, despite their potential applications. The current study aimed to optimize this process by integrating computational simulation and experimental extraction with suitable solvents. The COSMO-RS model was employed to screen deep eutectic solvents (DESs), indicating lactic acid/glycine/water 3:1:3 (DES 1) as a highly promising candidate based on activity coefficients at infinite dilution for target benzopyrans (HP1, HP2, HP3). Ultrasound-assisted extraction (UAE) was then conducted using the proposed DES as well as hexane, and the extracts were analyzed via high-performance liquid chromatography (HPLC) and spectrophotometry for total phenolic content (TPC). The results for DES 1 showed yields for benzopyrans HP1 (1.43 ± 0.09 mg/g plant) and HP2 (0.55 ± 0.04 mg/g plant) close to those obtained in the hexane extract (1.65 and 0.78 mg/g plant, respectively), corroborating the use of COSMO-RS for solvent screening. Kinetic analysis using an adapted Crank diffusion model successfully described the mass transfer process for DES 1 (R² > 0.98, mean average percent error < 9%), indicating diffusion control and allowing estimation of effective diffusion coefficients. This work confirms COSMO-RS as a valuable tool for solvent selection and demonstrates that UAE with the identified DES provides an efficient, greener approach for extracting valuable benzopyrans, offering a foundation for further process optimization. Full article

Conventional methods for extracting bioactive compounds from microalgae rely on organic solvents that are both polluting and potentially harmful to human health. In recent years, a noticeable shift has emerged toward greener extraction alternatives that are more environmentally friendly and sustainable. This review highlights various green extraction techniques, compounds, and yields obtained from different microalgal species for a range of applications and provides a comparison between the yields of conventional and green extraction methods. Green extraction methods have shown yields that are comparable to, or even exceed, those of conventional techniques, although they are predominantly studied for the extraction of lipids and pigments. This review aims to provide an overview of the current state of green extraction applied to microalgae, and to outline future research perspectives in this emerging field. Full article

Current biodiesel production is costly, in part due to the catalysts added during transesterification and later washed out. We have previously shown that intact rapeseed shells can be ball-milled with an alcohol to produce biodiesel without an added catalyst. Here, we report on the activation and identity of the complexing agent within the shells of rapeseeds and sunflower seeds. Lignin, present in the cell walls of plant matter, complexes with iron and manganese within metallic media, such as in a ball mill, and acts as a catalyst support in a transesterification reaction with oil and methanol. When ball-milled with methanol, rapeseed and sunflower seeds produce up to 90% biodiesel, similar to yields produced by industrial methods. However, this new method for producing biodiesel is a greener alternative, as it requires fewer organic solvents, may reduce the time and energy required for synthesis, and may reduce the effort required for product purification. Full article

Next-generation recycling technologies must be urgently innovated to tackle huge volumes of spent batteries, photovoltaic panels or printed circuit boards (WPCBs). Current e-waste recycling industrial technology is dominated by traditional recycling technologies. Herein, ionic liquids (ILs), deep eutectic solvents (DESs) and promising oxidizing additives that can overcome some traditional recycling methods of metal ions from e-waste, used in our works from last year, are presented. The unique chemical environments of ILs and DESs, with the application of low-temperature extraction procedures, are important environmental aspects known as “Green Methods”. A closed-loop system for recycling zinc and manganese from the “black mass” (BM) of waste, Zn-MnO₂ batteries, is presented. The leaching process achieves a high efficiency and distribution ratio using the composition of two solvents (Cyanex 272 + diethyl phosphite (DPh)) for Zn(II) extraction. High extraction efficiency with 100% zinc and manganese recovery is also achieved using DESs (cholinum chloride/lactic acid, 1:2, DES 1, and cholinum chloride/malonic acid, 1:1, DES 2). New, greener recycling approaches to metal extraction from the BM of spent Li-ion batteries are presented with ILs ([N_8,8,8,1][Cl], (Aliquat 336), [P_6,6,6,14][Cl], [P_6,6,6,14][SCN] and [Benzet][TCM]) eight DESs, Cyanex 272 and D2EHPA. A high extraction efficiency of Li(I) (41–92 wt%) and Ni(II) (37–52 wt%) using (Cyanex 272 + DPh) is obtained. The recovery of Ni(II) and Cd(II) from the BM of spent Ni-Cd batteries is also demonstrated. The extraction efficiency of DES 1 and DES 2, contrary to ILs ([P_6,6,6,14][Cl] and [P_6,6,6,14][SCN]), is at the level of 30 wt% for Ni(II) and 100 wt% for Cd(II). In this mini-review, the option to use ILs, DESs and Cyanex 272 for the recovery of valuable metals from end-of-life WPCBs is presented. Next-generation recycling technologies, in contrast to the extraction of metals from acidic leachate preceded by thermal pre-treatment or from solid material only after thermal pre-treatment, have been developed with ILs and DESs using the ABS method, as well as Cyanex 272 (only after the thermal pre-treatment of WPCBs), with a process efficiency of 60–100 wt%. In this process, four new ILs are used: didecyldimethylammonium propionate, [N_10,10,1,1][C₂H₅COO], didecylmethylammonium hydrogen sulphate, [N_10,10,1,H][HSO₄], didecyldimethylammonium dihydrogen phosphate, [N_10,10,1,1][H₂PO₄], and tetrabutylphosphonium dihydrogen phosphate, [P_4,4,4,4][H₂PO₄]. The extraction of Cu(II), Ag(I) and other metals such as Al(III), Fe(II) and Zn(II) from solid WPCBs is demonstrated. Various additives are used during the extraction processes. The Analyst 800 atomic absorption spectrometer (FAAS) is used for the determination of metal content in the solid BM. The ICP-OES method is used for metal analysis. The obtained results describe the possible application of ILs and DESs as environmental media for upcycling spent electronic wastes. Full article

The functionalisation of lignin-derived phenolics (guaiacol, 4-propylguaiacol, eugenol, isoeugenol, phenol, m-cresol, catechol, syringol, syringaldehyde, and vanillin) for the synthesis of thermoplastic polyurethanes (PUs) and polyester (PE) resins is herein described. Diols were synthesised from phenolics in a one-step reaction using either glycerol carbonate or ethylene carbonate as a greener, solvent-free synthetic route. Nine of the diols were selected for the synthesis of Pus, and two of the diols were used for the synthesis of PE resins, with their physical and thermal properties characterised. Analysis of the PUs by differential scanning calorimetry (DSC) confirmed their amorphous nature, while thermogravimetric analysis (TGA) suggested improved thermal stability for all PUs with the addition of an alkyl or aldehyde substituent on the benzene ring regardless of the diisocyanate used. However, lower PU thermal stabilities were observed with the use of an aliphatic diisocyanate over an aromatic diisocyanate in the absence of an additional substituent. Analysis of the PEs by DSC also confirmed that the clear resins were all amorphous, and gel permeation chromatography (GPC) revealed significantly higher molecular weights and dispersities when an aliphatic diacid was utilised over an aromatic diacid. Full article

This study employs molecular dynamics simulations to investigate counterion effects (Li⁺, Na⁺, K⁺) on the interfacial aggregation of mixed short-chain fluorocarbon, Perfluorohexanoic acid (PFH_XA), and Sodium dodecyl sulfate (SDS) surfactants. Motivated by the need for greener surfactant alternatives and a fundamental understanding of molecular interactions governing their behavior, we demonstrate that counterion hydration radius critically modulates system organization. K⁺ ions induce superior monolayer condensation and interfacial performance compared to Li⁺ and Na⁺ counterparts, as evidenced by threefold analysis: (1) RMSD/MSD-confirmed equilibrium attainment ensures data reliability; (2) 1D/2D density profiles and surface tension measurements reveal K⁺-enhanced packing density (lower solvent-accessible surface area versus Na⁺ and Li⁺ systems); (3) Electrostatic potential analysis identifies synergistic complementarity between SDS’s hydrophobic stabilization via dodecyl chain interactions and PFH_XA’s charge uniformity, optimizing molecular-level charge screening. Radial distribution function analysis demonstrates K⁺’s stronger affinity for SDS head groups, with preferential sulfate coordination reducing surfactant-water hydration interactions. This behavior correlates with hydrogen-bond population reduction, attributed to SDS groups functioning as multidentate ligands—their tetrahedral oxygen arrangement facilitates cooperative hydrogen-bond networks, while counterion-specific charge screening competitively modulates bond formation. The resultant interfacial restructuring enables ordered molecular arrangements with lower system curvature than those observed in Li⁺ and Na⁺-containing systems. These findings elucidate counterion-mediated interfacial modulation mechanisms and establish K⁺ as an optimal candidate for enhancing PFH_XA/SDS mixture performance through hydration-radius screening. The work provides molecular-level guidelines for designing eco-friendly surfactant systems with tailored interfacial properties. Full article

The rapid growth in lithium-ion battery (LIB) demand has underscored the urgent need for sustainable recycling methods to recover critical metals such as lithium, cobalt, nickel, and manganese. Traditional pyrometallurgical and hydrometallurgical approaches often suffer from high energy consumption, environmental impact, and limited metal selectivity. As an emerging alternative, solvometallurgy, and in particular the use of low-melting mixtures solvents, including deep eutectic solvents, offers a low-temperature, tunable, and potentially more environmentally compatible pathway for black mass processing. This review presents a comprehensive assessment of the recent advances (2020–2025) in the application of LoMMSs for metal recovery from LCO and NCM cathodes, analyzing 71 reported systems across binary, ternary, hydrated, and non-ChCl-based solvent families. Extraction efficiencies, reaction kinetics, coordination mechanisms, and solvent recyclability are critically evaluated, highlighting how solvent structure influences performance and selectivity. Particular attention is given to the challenges of lithium recovery, solvent degradation, and environmental trade-offs such as energy usage, waste generation, and chemical stability. A comparative synthesis identifies the most promising systems based on their mechanistic behavior and industrial relevance. The future outlook emphasizes the need for greener formulations, enhanced lithium selectivity, and life-cycle integration to support circular economy goals in battery recycling. Full article

As sustainability gains prominence, the circular economy has encouraged the valorization of agri-food by-products, which are rich in phenolic compounds known for their antioxidant and anti-inflammatory properties. Conventional extraction methods commonly employ organic solvents, which contradict green chemistry principles. Natural deep eutectic solvents (NaDESs) have emerged as environmentally friendly alternatives for recovering bioactive compounds from food waste. This review investigated recent studies (2020–2024) on ultrasound (UAE), microwave (MAE), and pressurized liquid extraction (PLE) using NaDESs to extract phenolic compounds from agri-food by-products. A total of 116 publications were initially identified, of which 19 met the inclusion criteria. UAE combined with NaDESs proved effective, particularly for fruit and oilseed residues. MAE achieved good yields for phenolic acids and flavonoids but showed limitations on high temperatures. PLE, though less explored, demonstrated promising results when optimized for temperature, pressure, and NaDES composition. The combination of NaDESs with assisted extraction techniques enhanced yield, selectivity, and environmental performance compared to conventional approaches. These findings highlight a greener and more efficient strategy for phenolic recovery within a biorefinery framework. Ultimately, this approach contributes to the sustainable management and valorization of agri-food by-products, supporting circular economy principles and the development of cleaner extraction technologies for functional ingredients. Full article

The pharmaceutical industry faces mounting pressure to reduce its environmental impact while maintaining innovation in drug development. Artificial intelligence (AI) has emerged as a transformative tool across healthcare and drug discovery, yet its potential to drive sustainability by improving molecular design remains underexplored. This review critically examines the applications of AI in molecular design that can support in advancing greener pharmaceutical practices across the entire drug life cycle—from design and synthesis to waste management and solvent optimisation. We explore how AI-driven models are being used to personalise dosing, reduce pharmaceutical waste, and design biodegradable drugs with enhanced environmental compatibility. Significant advances have also been made in the predictive modelling of pharmacokinetics, drug–polymer interactions, and polymer biodegradability. AI’s role in the synthesis of active pharmaceutical compounds, including catalysts, enzymes, solvents, and synthesis pathways, is also examined. We highlight recent breakthroughs in protein engineering, biocatalyst stability, and heterogeneous catalyst screening using generative and language models. This review also explores opportunities and limitations in the field. Despite progress, several limitations constrain impact. Many AI models are trained on small or inconsistent datasets or rely on computationally intensive inputs that limit scalability. Moreover, a lack of standardised performance metrics and life cycle assessments prevents the robust evaluation of AI’s true environmental benefits. In particular, the environmental impact of AI-driven molecules and synthesis pathways remains poorly quantified due to limited data on emissions, waste, and energy usage at the compound level. Finally, a summary of challenges and future directions in the field is provided. Full article

Chitin and chitosan are valuable biopolymers with various applications, ranging from food to pharmaceuticals. Traditionally sourced from crustaceans, the rising demand for chitin/chitosan, paired with the development of the insect sector, has led to the exploration of insect biomass and its byproducts as a potential source. Conventional processes rely on hazardous chemicals, raising environmental concerns. This critical review evaluates emerging “greener” approaches, including biological methods, green solvents, and advanced processing techniques, for chitin/chitosan production from insect-derived materials such as exuviae and cocoons. Two systematic evaluations are included: (1) a cross-comparison of chitin and chitosan yields across insect life stages and byproducts (e.g., up to 35.7% chitin from black soldier fly (BSF) larval exoskeletons can be obtained) and (2) a stepwise sustainability assessment of over 30 extraction workflows reported across 16 studies. While many are labeled as green, only a few, such as bromelain, lactic acid fermentations, or NADES-based processes, demonstrated fully green extraction up to the chitin stage. No study achieved a fully green conversion to chitosan, and green workflows typically required materials with low fat content and minimal pretreatment. These findings will be useful to identify opportunities and underscore the need to refine greener methods, improve yields, reduce impurities, and enable industrial-scale production, while sustainability data need to be generated. Full article

Bacterial cellulose (BC) is a highly pure and crystalline cellulose produced via bacterial fermentation. However, due to its chemical structure made of strong hydrogen bonds and its high molecular weight, BC can neither be melted nor dissolved by common solvents. Therefore, processing BC implies the use of very strong, often toxic and dangerous chemicals. In this study, we proved a green method to produce electrospun BC fibers by testing different ionic liquids (ILs), namely, 1-butyl-3-methylimidazolium acetate (BmimAc), 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (EmimTFSI) and 1-ethyl-3-methylimidazolium dicyanamide (EmimDCA), either individually or as binary mixtures. Moreover, γ-valerolactone (GVL) was tested as a co-solvent derived from renewable sources to replace dimethyl sulfoxide (DMSO), aimed at making the viscosity of the cellulose solutions suitable for electrospinning. A BmimAc and BmimAc/EmimTFSI (1:1 w/w) mixture could dissolve BC up to 3 w%. GVL was successfully applied in combination with BmimAc as an alternative to DMSO. By optimizing the electrospinning parameters, meshes of continuous BC fibers, with average diameters ~0.5 μm, were produced, showing well-defined pore structures and higher water absorption capacity than pristine BC. The results demonstrated that BC could be dissolved and electrospun via a BmimAc/GVL solvent system, obtaining ultrafine fibers with defined morphology, thus suggesting possible greener methods for cellulose processing. Full article

The development of environmentally friendly pretreatment processes for spent lithium-ion batteries (LIBs) is crucial for optimizing direct recycling methods. This study explores alternative approaches for recovering active cathode materials from end-of-life LIBs, focusing on environmentally safer options compared to the usually employed toxic solvent N-methyl-pyrrolidone (NMP), using disassembled batteries as test subjects. Various pretreatment methods, including thermal treatment, selective aluminum foil dissolution with a NaOH solution, and the use of eco-friendly solvents such as triethyl phosphate (TEP), are examined on the cathode sheets. The results show that thermal pretreatment combined with TEP provides the most effective approach, achieving a recovery efficiency of 95% while maintaining the morphology and purity of the recovered materials, making them suitable for direct recycling. These methods are further tested on complete battery cells, simulating industrial-scale operations. The TEP treatment proves particularly promising, ensuring high recovery efficiency and preserving the structural integrity of the materials, with a mean particle diameter of approximately 8 µm. Additionally, when applied to cycled batteries, this pretreatment successfully recovers active materials without contamination. This study provides valuable insights into various pretreatment strategies, contributing to the development of a greener, more efficient direct recycling pretreatment process for spent LIBs. Full article

Biocatalysis—specifically the use of immobilized lipases—has been proposed as a greener alternative for ester production. Several critical challenges, such as the high cost of biocatalysts, are delaying the industrial implementation of biocatalysis. Moreover, for short-chain ester synthesis, the strong inhibition/inactivation potential of short-chain acids and alcohols on lipases leads to long reaction cycles and/or the need to use organic solvents to overcome the limitations of solvent-free systems and, consequently, the decrease in product concentrations. This review presents an overview of the scientific developments in enzymatic short-chain ester synthesis, compiling the constraints on their syntheses from a process perspective, including insights about key performance indicators (KPI) and economic parameters. Full article

Most parts of the earth are covered with water, but only 0.3% of it is available to living beings. Industrial growth, fast urbanization, and poor water management have badly affected the water quality. In recent years, a transition has been seen from the traditional (physical, chemical) wastewater treatment methods towards a greener, sustainable, and scalable membrane technology. Even though membrane technology offers a green pathway to address the wastewater treatment issue on a larger scale, the fabrication of polymeric membranes from toxic solvents is an obstacle in making it a fully green method. The concept of green chemistry has encouraged scientists to engage in research for new biodegradable and non-protic solvents to replace with already existing toxic ones. This review outlines the use of non-toxic solvents for the preparation of PVDF membranes and their application in membrane distillation and membrane crystallization. Full article

The separation via the extractive distillation of 1,3-butadiene from C₄ hydrocarbon mixtures is an essential step in synthetic rubber and plastic production. Conventional extractive distillation methods rely on solvents such as N,N-dimethylformamide (DMF) and N-methyl-2-pyrrolidone (NMP), which, despite their efficiency, pose significant environmental and health risks. This study investigates the feasibility of replacing these hazardous solvents with 1,2-propylene carbonate (PC), a greener alternative that aligns with REACH restrictions and CEFIC recommendations. The adoption of green solvents closely follows the UN’s Sustainable Development Goals (SDGs). Indeed, by using green solvents, industries reduce pollution, enhance worker safety, and minimize their environmental impact, contributing to multiple SDGs, and thus fostering sustainable economic growth. Advanced solvent screening methodologies, based on thermodynamic solution models (NRTL-RK) and quantum-based approaches (COSMO-RS), were employed to evaluate PC’s viability. Aspen Plus^® simulations were conducted to evaluate the industrial feasibility of PC in the 1,3-butadiene separation process. The results indicate that PC achieves comparable 1,3-butadiene separation efficiency while offering economic, operational, and environmental benefits. These findings underscore the importance of integrating sustainable solvents into industrial processes, reducing reliance on hazardous chemicals, improving compliance with evolving regulatory frameworks, and supporting sustainable industrial development. Full article