Articles publicats en revistes (Ciència dels Materials i Química Física)

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Decoding Solvent Effects in Electrocatalytic Biomass Valorization: Levulinic Acid to γ-Valerolactone
(American Chemical Society, 2026-04-08) Vilariño Casaus, Pol; Bautista, Queralt; Gómez, Elvira; Serrà i Ramos, Albert
Electrocatalytic hydrogenation (ECH) of biomass-derived levulinic acid (LA) offers a sustainable route to prepare γ-valerolactone (GVL), a versatile green solvent and fuel additive. Yet despite its promise, most studies overlook the decisive role of the solvent environment, conflating conversion with true product yield. Here we disentangle these effects by systematically probing LA reduction over GC, Cu, Ni, and CuNi cathodes in three contrasting solvents (MeOH, DMSO, IPA) at two temperatures (15 and 35 °C). A clear design rule emerges: the solvents dictate the conversion ceiling, while temperature gates selectivity. At 15 °C, LA consumption is observed but productive lactonization toward GVL remains “off”, yielding only traces of HVA. At 35 °C, lactonization is unlocked, enabling GVL selectivity’s >90% in MeOH with metal-earth-abundant, Ni-based catalysts. Solvent characterization (viscosity, dielectric constant, ionic conductivity) combined with DFT analysis provides a direct rationale for the experimental trends. Methanol emerges as the most effective medium, consistent with its low viscosity and high electrolyte conductivity, which together mitigate diffusion and iR penalties relative to IPA and DMSO. DMSO shows intermediate performance, consistent with strong solvation/dielectric stabilization of intermediates, whereas IPA combines high viscosity and low ionic mobility, leading to the lowest conversions. Overall, efficient LA-to-GVL ECH is not dictated by conversion alone but by the coupled interplay of solvent properties, catalyst identity, and temperature required to link surface hydrogenation with thermally assisted lactonization.
The role of D-glucose in prolonging the lifetime of indium inalkaline cyanide electrolytes
(Elsevier, 2026-06-14) Amazian el Moussaoui, Mohamed; Vela Llausí, Sergi; Madurga Díez, Sergio; Sarret i Pons, Maria; Andreu Arbella, Teresa
Indium is commonly used in various environmental solutions due to its unique properties. However, in the electrodeposition of decorative AuCuIn alloys, its stability in aqueous cyanide solutions is a challenge because it tends to precipitate as In(OH)3. Previous studies have suggested the use of D-glucose in cyanide media to stabilize the solution. However, the lifespan of the solution remains quite short, and the complexes formed in the solutions, as well as the stabilizing mechanism of D-glucose, are unknown. This work investigates the effect of adding D-glucose to stabilize indium salts in cyanide media using experimental data and computational simulations. The reduction of free cyanides in the presence of D-glucose assessed the transformation of D-glucose into D-glucocyanohydrin (DGluCN) in alkaline media. Molecular dynamics simulations showed that the presence of DGluCN decreases the number of intermolecular collisions of indium complexes (In(OH)3 or In(CN)3) at short distances, thereby preventing its precipitation and allowing the species formed by In3+ to remain stable in the solution in their colloidal form. These findings provide a deeper understanding of indium kinetic stabilization at alkaline pH, which could potentially expand the application fields of this metal.
Chlorophyll-derived Fe-sensitized TiO2 for visible light-driven photocatalytic degradation of a pesticide
(Elsevier Ltd., 2026-06-27) Lauer Albornoz, L.; Brillas, Enric; Sirés Sadornil, Ignacio; Lanzalaco, Sonia; da Silva, Salatiel W.; Bernardes, Andrea M.
This study investigates chlorophyll-derived Fe-sensitized TiO2 photocatalysts for visible light-assisted degradation of the persistent fungicide prochloraz (PCZ) employing simulated solar irradiation. Chlorophyll-derived Fe complexes extracted from Ceratophyllum submersum were immobilized onto sol–gel-derived TiO2 nanoparticles at different loadings (1–5 wt%) through a solution-based assembly protocol involving sonication, freeze-drying, washing, and desiccation. The obtained materials were characterized by X-ray diffraction, Fourier-transform infrared spectroscopy, field-emission scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy, diffuse reflectance spectroscopy, and zeta potential analyses to evaluate their structural, morphological, and optical properties. Photocatalytic experiments were performed under simulated sunlight using aqueous PCZ solutions at pH 7.0. The results demonstrated that TiO2/Chl–Fe(1%) achieved near-complete PCZ degradation (>98%) within 60 min, significantly outperforming pure TiO2. However, TOC removal remained partial, indicating that pollutant transformation predominated over complete mineralization. The enhanced photocatalytic performance was associated with improved visible-light harvesting promoted by chlorophyll-derived surface sensitization. The TiO2/Chl–Fe(1%) catalyst exhibited the highest photocatalytic activity, whereas increasing Chl–Fe loading above TiO2/Chl–Fe(1%) did not lead to further performance enhancement, likely due to partial aggregation of the sensitizer and reduced light-harvesting efficiency. These findings demonstrate that chlorophyll-mediated Fe sensitization effectively improves the photocatalytic activity of TiO2 under visible light and environmentally relevant conditions without requiring acidic pH adjustment. The proposed system represents a promising visible-light-responsive photocatalytic approach for pesticide transformation in contaminated water.
Solar photo-thermocatalytic valorization of biomass waste to biofuel precursors using inexpensive Ni–P/graphite catalysts
(Elsevier B.V., 2026-10-01) Rigual Miret, Jordi; Fons, Arnau; Nogués, Josep; Esplandiu, María J.; Gómez, Elvira; Sepúlveda, Borja; Serrà i Ramos, Albert
Developing efficient, low-cost catalytic routes for biomass upgrading for sustainable fuel and chemical production is a crucial step toward a greener society and circular economy. Ni–P/graphite catalysts prepared by electroless deposition on graphite microflakes were used for photo-thermocatalytic transfer hydrogenation of levulinic acid (LA) to γ-valerolactone (GVL) in isopropanol, without external H2 or noble metals. Graphite provides broadband optical absorption and localized heat generation; the Ni–P coating supplies the active hydrogen-transfer sites, with isopropanol serving as hydrogen donor. Under near-infrared laser irradiation at 105 °C, complete LA conversion was achieved in 120 min, 2.5-fold faster than the solvothermal process at the same temperature. Solar-driven tests using a parabolic concentrator (105 °C, 2.5 mg mL−1, 100 mL scale) yielded 99.1% GVL after 80 min; over-reduction to valeric acid became significant only at 120 min. The catalyst retained near-quantitative activity over five consecutive cycles with negligible cumulative Ni and P leaching. Tests with a synthetic biomass hydrolysate approximating wheat-derived acid hydrolysate composition (LA/furfural/formic acid, 104:1:36 M ratio) showed LA conversion exceeding 99.9% at 40 min and complete furfural conversion by 80 min. The furfural hydrogenation network yielded furfuryl alcohol, 2-methylfuran, tetrahydrofurfuryl alcohol, and 2-methyltetrahydrofuran (23.2% at 120 min). Formic acid decomposition supplemented isopropanol as hydrogen donor under mixed-feed conditions. The optimal catalyst loading of 2.5 mg mL−1 was 36-fold lower than the Raney Ni dose required for comparable photo-thermocatalytic LA conversion, which additionally demanded a reaction temperature of ca. 130 °C.
Bioinspired hierarchical electrospun TiO2/BiOI nanofibers for multifunctional photocatalytic PMS activation: Antibiotics and microplastics removal
(Elsevier Ltd., 2026-10) Huidobro, Laura; Abid, Mahmoud; Bechelany, Mikhael; Gómez, Elvira; Serrà i Ramos, Albert
Emerging antibiotics and microplastics are poorly removed by conventional treatment processes, requiring oxidation processes that address both dissolved and particulate contaminants. Hierarchical electrospun TiO2/BiOI nanofibers (TBO1–TBO4; BiOI growth 2–16 h) were engineered for photocatalytic peroxymonosulfate (PMS) activation under UV-A (365 nm) and visible light. At pH 7 and 20 °C (sulfamethoxazole, SMX, 5 ppm; catalyst 0.50 g L−1; PMS 2.5 mM), TBO3 achieved near-complete, blank-corrected total organic carbon (TOC) removal (≥99%) in 120 min under visible light + PMS. For a four-component multipollutant solution (20 ppm total), TBO3 reached near-complete TOC removal after blank correction (reported as ≥99%, with residual TOC close to the method quantification limit) in 120 min and maintained activity over nine cycles under visible light + PMS (≤0.7 %age-point change; leaching below detection), whereas UV-A + PMS decreased to 85.3% by cycle 9 with ppb-level leaching. Quenching and probe assays indicate a radical-accessible PMS-assisted oxidation network; strong suppression by tert-butanol and methanol supports major •OH-accessible oxidation with a sulfate-radical-type contribution. Under visible light (465–470 nm) + PMS, cross-linked polystyrene (PS) microplastics (20 ppm solids) underwent surface erosion, cracking, delamination, and fragmentation, accompanied by release of dissolved/sub-10 μm carbonaceous products in scaled-up tests, supporting partial oxidative transformation of particulate microplastics.
On the performance of wood waste-derived gas-diffusion electrodes in a filter-press cell: H2O2 electrogeneration and antibiotic removal at neutral pH
(Elsevier Ltd., 2026-06-25) Tirira Arteaga, Paola Cecilia; Petsi, Panagiota; Zhao, Lele; Sirés Sadornil, Ignacio; Plakas, Konstantinos V.
Lately, several strategies have been developed for H2O2 synthesis from 2e− oxygen reduction reaction (ORR), motivated by the growing industrial relevance of this chemical. Nonetheless, the design of sustainable and cost-effective methods for large-scale H2O2 electrosynthesis remains elusive. In this context, biomass-derived carbon has emerged as an environmentally friendly alternative to conventional carbon black. Here, commercial wood waste-derived biochar exhibited a 2e− ORR selectivity over 60% at neutral pH. Gas-diffusion electrodes (GDEs) prepared with this electrocatalyst were evaluated in undivided filter-press cells at two operational scales (0.5 L and 2.5 L). The results showed substantial H2O2 production and remarkable operational stability over 10 consecutive 1-hour cycles. Sulfadoxine (SDX) was selected as a model organic pollutant to assess the performance of the new GDEs in photoelectro-Fenton (PEF) process. A commercial Fe(III)-DTPA fertilizer was employed as the catalyst to enable effective performance at neutral pH, achieving the complete removal of 5 mg L−1 SDX at 20 mA cm−2 after 45 min at pre-pilot scale. A plausible degradation pathway was proposed based on five identified transformation by-products. Likewise, a preliminary economic assessment indicated that the greener GDEs are potentially competitive as compared to electrodes made with carbon black. Overall, our work offers a sustainable pathway for advanced oxidation of pharmaceuticals at neutral pH.
Quatsome nanovesicles as antibacterial platform: Mechanistic insights into their activity against planktonic and biofilm Staphylococcus aureus
(Elsevier B.V., 2026-06-26) Korber, Mariana; Gallardo-Moreno, Amparo M; Ferrer-Tasies, Lidia; Fernandez-Calderon, Maria Coronada; Pujol-Sole, Nuria; Tomsen-Melero, Judit; Guasch, Elba; Tamurejo-Alonso, Purificacion; Mitjans, Montserrat; Vinardell, Maria Pilar; Domingo-Tafalla, Beatriu; Giannotti, Marina Inés; Rancan, Fiorenza; Schaudinn, Christoph; Veciana, Jaume; Ratera, Imma; Roldan, Monica; González-Mira, Elisabet; Gonzalez-Martin, Maria Luisa; Ventosa, Nora
The growing threat of antibiotic-resistant pathogens has intensified the demand for alternative antibacterial materials. Quatsomes-nanovesicles composed of cholesterol and quaternary ammonium surfactants (QAS)- emerge as promising candidates due to their intrinsic antimicrobial properties and tunable physicochemical characteristics. Here, we investigate the antibacterial activity of quatsomes incorporating QAS with either tetradecyl (C14) or hexadecyl (C16) alkyl chains against Staphylococcus aureus, a leading cause of hospital-acquired infections. Both quatsome types exhibited potent bactericidal activity in planktonic cultures, with C16containing formulations showing a 2.5-fold lower minimum bactericidal concentration than C14 counterparts. Confocal microscopy suggested a partial penetration of cationic quatsomes into the bacterial peptidoglycan layer, accompanied by significant increases in zeta-potential, suggesting strong electrostatic interactions without visible membrane disruption, as confirmed by scanning electron microscopy. Both formulations also demonstrated high efficacy against mature S. aureus biofilms, with no significant differences between alkyl chain lengths, indicating a mechanism primarily targeting the extracellular biofilm matrix. In addition, they showed a good antimicrobial activity against methicillin-resistant Staphylococcus aureus (MRSA). A preliminary safety assessment using reconstructed human epidermis (EpiskinTM) confirmed the non-irritant nature of both formulations. These findings highlight the potential of QAS-based quatsomes as effective and biocompatible nanocarriers for topical antibacterial applications, offering a promising platform for combating antibiotic-resistant infections in both planktonic and biofilm states.
Shaping the future of nanotechnology: a perspective on education, dissemination and ethics
(Frontiers Media, 2025-05-29) Díaz-Marcos, Jordi; Mendoza Gonzálvez, Joan
Considering the potential economic, technological, and scientific impacts, Nanosciences and Nanotechnologies (N&N) have sparked interest across numerous sectors of society. The anticipated benefits in areas such as manufacturing, water and environmental pollutant purification, improvements in energy production, storage and distribution systems, and enhancements in food and health systems, among others, suggest that the development and exploitation of new nanomaterials, nanotools, and nanodevices could have an impact of billions of euros in the next decade. Concurrently, an increasing number of companies worldwide are implementing research and development (R&D) programs in N&N. It is expected that, in the next decade, governments and corporations combined will spend more than 10,000 million euros on N&N R&D. This implies that for a modern society to access these benefits and contribute to this scientific and technological revolution, it is necessary to have programs that support the training of high-level professionals in N&N. These professionals need to be equipped to successfully meet the needs arising from market and societal challenges and opportunities; designing, producing, or developing products that innovatively contain and exploit nanomaterials and devices derived from N&N, ensuring these products are appropriately integrated into everyday life. It is estimated that more than 1,000,000 professionals in the field will be required worldwide. Therefore, in the last two decades, educational institutions around the world, particularly in the European region, have explored various strategies to incorporate N&N related topics into the educational curriculum, from generating terminal areas in traditional science and engineering programs to creating new academic programs (at undergraduate and postgraduate levels) that allow them to contribute to the training of competitive human resources in N&N. Disseminating and educating about nanoscience and nanotechnology (N&N) presents significant challenges. The subject is inherently complex and characterized by dense terminology. Additionally, the nanoscale dimension introduces unique dissemination difficulties. For instance, materials at this scale are only observable with highly sophisticated instruments, necessitating that audiences comprehend concepts of objects they cannot directly see. Nevertheless, the widespread presence of nanoscale products offers compelling examples that can facilitate the dissemination of nanotechnologies. The highly anticipated nanotechnological revolution of the 21st century raises numerous questions that delve into the essence of both the nanotechnological phenomenon and the human condition. What truly distinguishes nanotechnology, and what challenges does this innovation pose for humanity? Unlike previous technologies, discussions about new technologies now commence at their inception, enabling proactive measures. It is crucial to strike a balance, avoiding both excessive optimism and dire pessimism. Nanotechnology initiatives, regarded as highly significant social activities in today’s world, necessitate careful consideration. This perspective urges us to adopt appropriate ethical frameworks to effectively address the challenges posed by nanotechnologies. In this article, we provide an overview of the dissemination and scientific communication of nanotechnologies. We analyze the available tools and highlight the current state of nanodissemination through a comprehensive review of mature and successful dissemination initiatives in nanosciences and nanotechnologies. Additionally, we include an ethical reflection on how to approach the advancement of nanoscience and nanotechnology. Furthermore, based on the conclusions of this work, we offer recommendations and best practices for dissemination, education, and fostering an appropriate ethical perspective on the present and future of nanosciences and nanotechnologies.
Lipid-driven Src self-association modulates its transformation capacity
(EMBO Press, Rockefeller University Press, and Cold Spring Harbor Laboratory Press, 2025-03-13) Mohammad, Irrem-Laareb; Giannotti, Marina Inés; Fourgous, Elise; Boublik, Yvan; Fernández Viciana, Ana; Le Roux, Anabel-Lise; Sirvent, Audrey; Taulés i Marín, Marta; Roche, Serge; Pons Vallès, Miquel
Src tyrosine kinase regulates cell growth and adhesion through membrane signaling, and its deregulation is associated with cancer. Although active Src is anchored to the plasma membrane, the role of membrane lipids in its regulation remains unclear. Here, we report that Src self-associates via a lysine cluster in its SH4 region, a process mediated by lipids in human cells and in vitro. Mutation of the lysine cluster to arginine alters Src self-association and modulates its transforming function in human cells. Lipid-anchored micron-sized condensates of full-length Src form in supported homogeneous lipid bilayers (i.e., independently of lipid phase separation). Condensates also arise from the purified Src N-terminal regulatory element, which includes the myristoylated SH4 domain, the intrinsically disordered Unique domain, and the globular SH3 domain. However, the isolated SH4 domain alone forms small protein–lipid clusters rather than micron-sized condensates. Our findings reveal lipid-mediated kinase self-association as an additional regulatory mechanism for Src. This mechanism may also apply to other membrane-associated signaling proteins containing similar lysine clusters in their unstructured regions.
Immune–Metabolic Profiling Reveals Functional Heterogeneity Within Colorectal Cancer Consensus Molecular Subtypes
(MDPI, 2026-07-10) Madurga Díez, Sergio; López Blanco, David; Foguet, Carles; Lahoz, Sara; Oliveres, Helena; Moreno, Reinaldo; Gorría, Teresa; Pedrosa Eguílez, Leire; Marín Martínez, Silvia; Rojas, Mariam; Camps, Jordi; Mas i Pujadas, Francesc; Maurel Santasusana, Joan; Cascante i Serratosa, Marta
The Consensus Molecular Subtype (CMS) classification provides a widely used transcrip- tomic framework for colorectal cancer (CRC) stratification with clear prognostic and thera- peutic relevance. However, it does not fully capture the immune–metabolic heterogeneity underlying tumor–microenvironment interactions within each subtype. Here, we integrate a validated immune–metabolic gene signature as a functional layer to refine CMS classifica- tion and systematically characterize diversity across CMS1-4 tumors. Using transcriptomic data from 2918 CRC samples across three independent cohorts (GSE1, TCGA, and GSE2), we show that CMSs display robust yet distinct immune–metabolic distributions across datasets. CMS4 tumors exhibit glycolytic, stromal-dependent, and immunosuppressive pro- files, whereas CMS2 and CMS3 are enriched in oxidative and metabolically flexible states. Importantly, CMS1 tumors segregate into two major immune–metabolic profiles, revealing marked heterogeneity within this immune-activated subtype. These patterns are preserved in metastatic samples, supporting their stability across disease stages. Overall, integrating immune–metabolic profiling into CMSs reveals previously unrecognized functional het- erogeneity and provides a refined framework to interpret tumor–microenvironment states. This approach facilitates the identification of context-specific metabolic vulnerabilities with potential clinical relevance.
Comparison of microstructure and mechanical properties of Fe3Al/TiC coatings produced by cold gas spray and high velocity oxygen fuel
(Elsevier B.V., 2026-01-01) Clave, Genís; Betancor, Lorena; Barreneche, Camila; Martín-Vilardell, Anna; Dosta Parras, Sergi
Fe3Al powders reinforced with TiC were synthesized and deposited as coatings using Cold Gas Spraying (CGS) and High-Velocity Oxy-Fuel (HVOF) techniques. Fe3Al intermetallic compounds are known for their excellent resistance to sulfidizing and carburizing environments. However, their mechanical properties can be enhanced through reinforcement with TiC particles. The Fe3Al/TiC feedstock powder was produced via agglomeration and sintering, resulting in a homogeneous distribution of TiC particles around the Fe3Al matrix. Coatings were deposited onto AISI 316L stainless steel substrates and characterized using X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Energy-Dispersive X-ray Spectroscopy (EDX), as well as adhesion and erosion tests. The results indicate that CGS coatings exhibit lower oxidation levels, whereas HVOF coatings demonstrate superior adhesion and hardness due to their denser microstructure and greater particle deformation. Hardness increased with the incorporation of TiC. Erosion testing revealed that CGS coatings performed better, attributed to their reduced brittleness compared to HVOF coatings. These findings highlight the potential of Fe3Al/TiC coatings for high-temperature and wear-resistant applications. Moreover, the study demonstrates that comparable performance can be achieved using CGS as with HVOF for depositing Fe3Al/TiC intermetallic coatings.
Low-carbon cementitious material from municipal solid waste incineration bottom ash for street furniture and outdoor paving: A circular economy perspective.
(Univerzitet u Beogradu, 2026-02-16) Cuspoca, Fabian; Mañosa Bover, Jofre; Rosell, Joan Ramon; Faneca, Gerard; Chimenos Ribera, Josep Ma.
This study investigates the feasibility of employing municipal solid waste incineration bottom ash (WBA) as the sole precursor for producing alkali-activated binders (AAWBA), with the aim of developing low-carbon mortars and concretes for nonstructural urban applications within a circular-economy framework. The precursor, originally in the 8-30 mm particle-size fraction reported in previous studies, was milled to obtain material below 125 µm. A series of activation conditions was examined by varying the NaOH concentration, the NaOH-to-sodium-silicate ratio, and the liquid-to-solid ratio, together with three precursor particle-size ranges (≤63 µm, 90-100 µm, and 100-125 µm). The optimal formulation (1:4/0.6/4 M; 90-100 µm) achieved satisfactory mechanical performance in paste form and developed a dense microstructure characterised by the formation of C-(A)-S-H/N-A-S-H gels, as evidenced by TGA, FT-IR, and SEM analyses. As a proof of concept, this binder was used to manufacture a full-scale concrete pedestrian paving element, which exhibited adequate mechanical performance for outdoor pedestrian use at 28 days. Leaching and ecotoxicity tests indicated low metal release and no significant toxic effects, thereby demonstrating the environmental safety of the material and its potential contribution to more sustainable construction systems.
Biotemplating of Metal–Organic Framework Nanocrystals for Applications in Small-Scale Robotics
(Wiley-VCH, 2021-12-07) Terzopoulou, Anastasia; Palacios-Corella, Mario; Franco, Carlos; Sevim, Semih; Dysli, Thomas; Mushtaq, Fajer; Romero-Angel, María; Martí-Gastaldo, Carlos; Gong, De; Cai, Jun; Chen, Xiang-Zhong; Pumera, Martin; deMello, Andrew J.; Nelson, Bradley J.; Pané, Salvador; Puigmartí-Luis, Josep
Biotemplating is a powerful approach for manufacturing small-scale devices. Here, the assembly of metal-organic framework (MOF) nanocrystals onto biotemplated magnetic helical structures on the cyanobacterium Spirulina platensis is reported. It is demonstrated that the authors' approach is universal and can be used to equip biotemplated structures with different functional MOF systems. The successful assembly of MOF nanocrystals on magnetically coated helical biotemplates is achieved by decorating the magnetic surface with gelatin, a naturally occurring macromolecule with synthon moieties that allows anchoring of the MOF nanocrystals via electrostatic interactions. Furthermore, as gelatin is a thermally responsive material, it can serve to free the magnetic biotemplates from the MOF nanocrystal cargoes. As such, the systems can be used as highly integrated magnetically driven microrobots with multiple functionalities. To this end, the potential of these composite helical architectures is demonstrated as MOF-based small-scale robots with applications in biomedicine and environmental remediation.
A critical review over the electrochemical disinfection of bacteria in synthetic and real wastewaters using a boron-doped diamond anode
(Elsevier, 2021-08-01) Martínez-Huitle, Carlos Alberto; Brillas, Enric
Inadequate access to clean water and sanitation are the most relevant problems afflicting developing and industrialized nations. Global water scarcity is expected to grow worse in the coming decades and this has motivated the scientific community to identify new, safe, and robust water disinfection technologies at lower cost and with less energy, diminishing the use of chemicals and impact on the environment. Usually, conventional methods of water treatment can solve this problem satisfactorily, such as chlorination, but, sometimes, they can be chemically, energetically, and operationally intensive. Therefore, the science and technology has encouraged the development of other alternative disinfection technologies. In this frame, electrochemical disinfection or electrodisinfection is currently experiencing a renaissance due to the tremendous contributions of novel electrocatalytic materials as well as the use of electric current as an inexpensive and suitable reagent to drive the inactivation of waterborne pathogens, avoiding conventional chemical oxidizers or reducing agents. Electrodisinfection has a significant technical impact, because it can be easily scaled up or design small–portable devices, benefiting from advantages such as versatility, environmental compatibility, automation, inherent safety, and potential cost effectiveness among others. Diamond films emerge as a novel and sustainable solution to electrogenerate powerful oxidants for effectively controlling waterborne pathogens in drinking water. The overarching goal of this critical review is to evidence the importance of diamond electrochemical methods as alternative for the eradication of waterborne infectious agents from public and drinking waters. The mechanisms of bacteria inactivation, and the fundamentals and applications of electrochemical oxidation with diamond to disinfect synthetic and real waters and wastewaters are exhaustively discussed. The use of hybrid and sequential processes involving electrochemical oxidation with other techniques, as well as endodontic and food control applications, are also analyzed. A section remarking the future challenges of electrodisinfection with diamond is finally presented.
Synthesis of 2D porous crystalline materials in simulated microgravity
(Wiley-VCH, 2021-06-04) Contreras-Pereda, Noemí; Rodríguez-San-Miguel, David; Franco, Carlos; Sevim, Semih; Vale, João Pedro; Solano, Eduardo; Fong, Wye-Khay; Giudice, Alessandra Del; Galantini, Luciano; Pfattner, Raphael; Pané, Salvador; Sotto Mayor, Tiago; Ruiz-Molina, Daniel; Puigmartí-Luis, Josep
To date, crystallization studies conducted in space laboratories, which are prohibitively costly and unsuitable to most research laboratories, have shown the valuable effects of microgravity during crystal growth and morphogenesis. Herein, an easy and highly efficient method is shown to achieve space-like experimentation conditions on Earth employing custom-made microfluidic devices to fabricate 2D porous crystalline molecular frameworks. It is confirmed that experimentation under these simulated microgravity conditions has unprecedented effects on the orientation, compactness and crack-free generation of 2D porous crystalline molecular frameworks as well as in their integration and crystal morphogenesis. It is believed that this work will provide a new 'playground' to chemists, physicists, and materials scientists that desire to process unprecedented 2D functional materials and devices.
Recycling of Plastics in the Automotive Sector and Methods of Removing Paint for Its Revalorization: A Critical Review
(MDPI, 2024-10-28) Zambrano Membrives, Carla; Tamarit, Pablo; Fernández Renna, Ana Inés; Barreneche, Camila
The presence of plastics in the automotive industry is increasingly significant due to their lightweight nature, which contributes to reducing fuel consumption and CO2 emissions while improving versatility and mechanical properties. Polypropylene (PP) and other polyolefins are among the most commonly used materials, especially for components such as bumpers. The use of composite materials, i.e., a combination of different polymers, improves the properties through synergistic effects, thereby also improving the performance of the final product. In the automotive industry, PP reinforced with 20% talc or CaCO3 is commonly used. The mechanical recycling of polypropylene bumpers is the most common type of recycling. However, challenges arise during this process, such as the presence of impurities like paint, chemical contaminants from previous use, and polymeric impurities from different polymers mixed into the polymer matrix, among others. Paint affects both the aesthetic quality and the mechanical and intrinsic properties of the recycled material. This review aims to analyze the main methods reported in the literature, focusing on those with low environmental impact. Furthermore, these methods are classified according to their capacity, effectiveness, substrate damage, environmental hazards, and economic feasibility. It also aims to offer a comprehensive overview of the mechanical recycling of plastic waste in the automotive industry.
Discrete Element Method Optimization Simulation of Planetary Ball Mills Operating Conditions
(AIDIC-The Italian Association of Chemical Engineering, 2024-12-30) Cabello, Rúben; Han, Jingli; Plesu Popescu, Alexandra Elena; Bonet i Ruiz, Jordi; Clave, Genís; Barreneche, Camila; Dosta Parras, Sergi
Planetary mills have garnered significant attention in various fields of material science, nanotechnology, and engineering due to their ability to finely grind and mix materials at the nanoscale. The study of such mills is often performed by using empirical approaches for the optimization of experimental conditions. Modeling is possible based on simple physics involving the interaction of DEM (Discrete Element Method) simulations, offering the possibility of studying planetary mills with a much deeper understanding of the process. This study focuses on the numerical characterization of planetary ball mills in terms of different parameters such as angular velocity, number of balls, and ball size. The influence of such parameters on the energy spectra of the mill is then found via DEM simulation, which is very useful information for modeling the breakage or adhesion processes inside a mill or scaling up such experimental mills to industrial processes. Results show that from all the useful power, 65.4 % and 54.0 % go into ball-wall shearing collisions for both 1 cm and 0.3 cm balls. At around 0.5 cm balls, there seems to be a minimum as only 46.7 % goes into ball-wall shear collisions. Despite this, those types of collisions take more power than any other for all the cases studied, being a ball size that is closer to the optimal value. This research, then, acts as a bridge between lab-scale conditions, which are easier and more cost-effective to optimize, and large-scale production, where optimization tends to be costly and difficult. The presentstudy provides an understanding of the tools required to produce novel nanomaterials
Operando XPS and NEXAFS to link the OER mechanism with the fast electro-oxidation of organic pollutants on a porous NiMnO3–rGO anode
(Royal Society of Chemistry, 2025-10-30) Mirehbar, K.; Kumar, Samika; Sirés Sadornil, Ignacio; Sánchez, J.S.; Held, Georg; Palma, J.; Lado, J.J.
Electro-oxidation is one of the most promising and eco-friendly technologies for water decontamination. However, its industrial application is still limited by the high cost, poor faradaic efficiency, low durability, and potential toxicity of common high-power oxidation anodes. These challenges have been addressed by developing a novel composite comprising a mixed metal oxide (NiMnO3) and reduced graphene oxide (rGO). The NiMnO3–rGO anode allowed the fast and complete removal of phenol. Among different highly porous substrates, graphite felt (GF) led to the highest energy efficiency, since the GF/ NiMnO3–rGO anode yielded 100% phenol removal within only 30 min at a current density as low as 10 mA cm−2, which was accompanied by 85% COD removal at 120 min. This anode demonstrated excellent stability, maintaining 100% phenol removal efficiency across five consecutive cycles while also showing low energy consumption (60–65 Wh (kg COD)−1). Operando X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS) analysis provided mechanistic insights. It is demonstrated that rGO shifts the *OH production pathway towards the lattice oxygen mechanism (LOM), in contrast to the adsorbate evolution mechanism (AEM) observed for NiMnO3 alone. This mechanistic shift supports the enhanced stability and sustained electrocatalytic activity, contributing to the high performance of the GF/ NiMnO3–rGO composite anode in the context of a more sustainable technology for treating organic contaminants.
Molecular dynamics simulation of temperature and concentration distribution at liquid-gas interface during liquid air storage process
(Elsevier, 2025-06-01) You, Zhanping; Cheng, Menghan; Ma, C.; Xiao, Yufei; Zhao, Xuemin; Barreneche, Camila; She, X.
To address global challenge of climate changes, renewable energy has been fully developed in recent years. However, renewable energy is usually intermittent which makes it challenging for application. Liquid air energy storage can effectively store intermittent energy with promising prospects. Liquid air is a mixture composed of N2, O2 and Ar with different evaporation temperatures. It is assumed to form temperature and concentration stratification during storage and thus causes safety challenge. To address this issue, molecular dynamics (MD) simulation method is used to study the temperature and concentration distribution characteristics in liquid air. The results show that the system temperature remains constant at 94 K with no temperature stratification during storage. However, the concentration of liquid air changes along vertical direction (z axis): the oxygen concentration remains stable around 21 % as z is 0–60 Å, rises to 22.1 % as z is from 60 to 70 Å and drops to 0 % as z is above 80 Å. The thin and short stratification phenomenon occurs at the gas-liquid interface region. In addition, a higher heat flux leads to a higher evaporation rate and a larger oxygen concentration. As the heat flux increases from 0.0 to 2.4 W/m2, evaporation rate rises from 0.13 to 0.2 % and the oxygen concentration at the liquid-gas interface reaches 22.3 %. Thus, concentration stratification exists during liquid air storage and should be treated carefully. This paper provides an insight into the temperature and concentration distribution of liquid air during storage and is significant for safety improvement and development of liquid air energy storage
Review on properties, physics, and fabrication of two-dimensional material-based metal-matrix composites (2DMMCs) for heat transfer systems
(Elsevier, 2025-04-23) Lee, Hyojung; Lordejani, Amir Ardeshiri; van Goor, Leonore; Jurov, Andrea; Koutsioukis, Apostolos; Ruan, Siyuan; Santhosh, Neelakandan M.; Zarei, Fatemeh; Barreneche, Camila; Cvelbar, Uroš; Dosta Parras, Sergi; Geurts, Bernard J.; Guagliano, Mario; Jafari, Davoud; Nicolosi, Valeria; Yin, Shuo; Zavašnik, Janez; Bagherifard, Sara; Lupoi, Rocco; Wits, Wessel W.
In the exploration of new materials development, 2D materials have received much attention due to their outstanding properties in terms of e.g. strength, and electrical and thermal conductivities. Graphene and boron nitride, amongst other 2D materials, are renowned for their exceptional thermal conductivity. In this review, we examine the properties, physics, and fabrication techniques of 2D material-based metal-matrix composites (2DMMCs) with a specific focus on heat transfer systems. The on-going demand for better electronic cooling systems in combination with advancements in mass production techniques of 2D materials facilitates the application of 2DMMCs in heat transfer systems. However, currently, the thermal behaviour of 2DMMCs remains largely uncategorized, strengthening the timely context of this review. Next to recent research progress, material properties, production techniques and strategies for improving thermal conductivity of 2DMMCs are addressed in this work. Methods to reliably assess the thermal conductivity of 2D enhanced materials are discussed alongside the fabrication techniques for 2D-material feedstocks for 2DMMCs production. Also, current limitations in the heat transfer capabilities of 2DMMCs, alongside prospects for enhancing thermal properties through emerging technologies, such as additive manufacturing, are addressed.

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