https://hdl.handle.net/10259/3925 Sun, 19 Apr 2026 09:38:10 GMT 2026-04-19T09:38:10Z https://hdl.handle.net/10259/11472 A five-indicator methodology for early-stage sustainable selection of metal scraps and raw materials: Application in the steel industry Carreira Barral, Israel; García-Moral, Ana; Iñigo Martínez, María Emilia; Díez Hernández, Julieta; Ibáñez Porras, Jesús; Alonso-Terán, Mario; Fuente Gamero, Patricia de la; Barros García, Rocío; Martel Martín, Sonia This work proposes a straightforward methodology for integrating the environmental, economic, social, criticality and circularity dimensions as normalised indicators into a single equation, yielding a sustainability index, and demonstrates its applicability in the context of the steelmaking industry. This new approach, designed for early development stages and based on the elemental composition of the input materials (metal scraps and raw materials), allows the identification of those within a dataset that are of greatest concern according to their sustainability index and facilitates decision-making regarding their use in alloy production. A sensitivity analysis, with 11 studied scenarios, was conducted to evaluate the influence of the five indicators on the outcome, assigning different weights to them. The developed strategy, compatible with the Safe and Sustainable by Design framework, was successfully applied to a family of 207 materials of varying qualities. A set of raw materials, including both ferroalloys and pure elements, was identified as the most worrying group from the sustainability viewpoint, in line with previous works (e.g., ferroniobium, ferrotungsten, pure cobalt and pure copper), thereby validating the described framework. However, metal scraps should, whenever feasible, be prioritised, as their recovery would reduce the reliance on mineral resources. Consequently, a number of them are presented as alternatives to the least sustainable raw materials according to their sustainability indexes. The application of this methodology provides a holistic view of sustainability and enables rapid decisions regarding which products from a given set are more suitable for use, based on their index values and stakeholder needs. Mon, 01 Jun 2026 00:00:00 GMT https://hdl.handle.net/10259/11472 2026-06-01T00:00:00Z https://hdl.handle.net/10259/10644 Asymmetric Synthesis of Highly Substituted Spiro[2H‐pyrrole‐2,3‐Succinimide] Derivatives by Copper‐Catalyzed Post‐Ugi Reactions Gómez Ayuso, Javier; Carreira Barral, Israel; Quesada Pato, Roberto; García Valverde, María Herein we present a novel one-pot methodology for the synthesis of enantioenriched 2H-pyrrolespirosuccinimides by copper-catalyzed reactions on Ugi adducts derived from enantiopure α-alkylbenzyl amines through a chirality transfer process. We have proposed a mechanism, supported by density functional theory (DFT) calculations, where a hydrogen radical-shuttle (HRS) process explains the chemical and stereochemical results. This work demonstrates the efficient stereoselective synthesis of structurally unique, highly functionalized nitrogen heterocyclic systems using simple protocols and affordable starting materials. Thu, 01 May 2025 00:00:00 GMT https://hdl.handle.net/10259/10644 2025-05-01T00:00:00Z https://hdl.handle.net/10259/10513 Driving sustainability at early-stage innovation in production of zinc oxide nanoparticles Carreira Barral, Israel; Díez Hernández, Julieta; Igos, Elorri; Saidani, Michael; Ding, Tianran; Ramos da Silva, Tiago; Monteiro, Helena; Stingl, Andreas; Farias, Patricia M. A.; Cardozo, Olavo; Ibáñez Porras, Jesús; García-Moral, Ana; Tamayo Ramos, Juan Antonio; Rumbo Lorenzo, Carlos; Barros García, Rocío; Martel Martín, Sonia Despite its industrial relevance and the methods that have been described for its synthesis, little is known about the performance of the production processes of ZnO nanoparticles (ZnO NPs), either pure or doped, from the sustainability perspective. The Safe-and-Sustainable-by-Design (SSbD) framework brings to this context an excellent opportunity to 1) evaluate the impacts of chemical processes from the safety and sustainability perspectives, and 2) design and test safety and sustainability strategies to study and optimise these key aspects in early innovation stages. This work aims at assessing the production of ZnO NPs using this approach, testing the sustainability of the materials, designed and produced by Phornano, an Austrian SME, under this scheme. Three scenarios were analysed: the original process (BS) and two alternatives resulting from the application of SSbD strategies to the former (S1 and S2). BS is a linear process in which Zn(NO3)2·6H2O, whey, water and a dopant (a Mn salt) are used as starting materials. However, obtention of the desired product entails the release of toxic fumes (SOx and NOx) to the atmosphere. S1 and its scale-up version, S2, are circular processes in which SOx emissions are avoided, due to the replacement of whey by a non-aminated starch, and NOx are transformed into HNO3, which reacts with Zn powder to produce Zn(NO3)2·6H2O; in this way, no harmful substances are freed and the zinc salt employed as a raw material in BS is generated during the manufacture of ZnO NPs. Four well-known evaluation tools were employed to achieve a holistic sustainability perspective: Environmental Life Cycle Assessment (LCA), Material Flow Cost Accounting (MFCA), Social Life Cycle Assessment (S-LCA) and Multi-Criteria Decision Analysis (MCDA), according to the standardised methodologies or the most broadly spread ones; the study was complemented with an uncertainty analysis. The results for the production of 1 kg of ZnO NPs show that the after-SSbD scenarios are remarkably more sustainable than BS: the environmental evaluation reveals that S2 outperforms BS for 10 environmental indicators, allowing a reduction of 67 % in terms of total aggregated impact (from 13.7 to 4.4 mPt); from the economic viewpoint, synthesis of ZnO NPs through S2 is around four times cheaper than that achieved via BS (512 vs 2206 €); finally, the social footprint is reduced from 159 mPt in the original process to 21 mPt in S2. MCDA of BS, S1 and S2 considering the three assessments performed confirms that S2 is, with almost 100 % probability, the best-performing alternative from the sustainability perspective, followed by S1. Overall, this work, the most complete in this field to date, contributes to the sustainable synthesis of ZnO NPs and to the methodological advance of the SSbD framework through the revision of its limitations and opportunities. Thu, 01 May 2025 00:00:00 GMT https://hdl.handle.net/10259/10513 2025-05-01T00:00:00Z https://hdl.handle.net/10259/9573 Deregulation of lactate permeability using a small-molecule transporter (Lactrans-1) disturbs intracellular pH and triggers cancer cell death Arias Betancur, Alain; Fontova Pale, Pere; Alonso Carrillo, Daniel; Carreira Barral, Israel; Duis, Janneke; García Valverde, María; Soto Cerrato, Vanessa; Quesada Pato, Roberto; Pérez Tomás, Ricardo Due to the relevance of lactic acidosis in cancer, several therapeutic strategies have been developed targeting its production and/or regulation. In this matter, inhibition approaches of key proteins such as lactate dehydrogenase or monocarboxylate transporters have showed promising results, however, metabolic plasticity and tumor heterogeneity limits their efficacy. In this study, we explored the anticancer potential of a new strategy based on disturbing lactate permeability independently of monocarboxylate transporters activity using a small molecule ionophore named Lactrans-1. Derived from click-tambjamines, Lactrans-1 facilitates transmembrane lactate transportation in liposome models and reduces cancer cell viability. The results showed that Lactrans-1 triggered both apoptosis and necrosis depending on the cell line tested, displaying a synergistic effect in combination with first-line standard chemotherapeutic cisplatin. The ability of this compound to transport outward lactate anions was confirmed in A549 and HeLa cells, two cancer cell lines having distinct rates of lactate production. In addition, through cell viability reversion experiments it was possible to establish a correlation between the amount of lactate transported and the cytotoxic effect exhibited. The movement of lactate anions was accompanied with intracellular pH disturbances that included basification of lysosomes and acidification of the cytosol and mitochondria. We also observed mitochondrial swelling, increased ROS production and activation of oxidative stress signaling pathways p38-MAPK and JNK/SAPK. Our findings provide evidence that enhancement of lactate permeability is critical for cellular pH homeostasis and effective to trigger cancer cell death, suggesting that Lactrans-1 may be a promising anticancer therapy. Fri, 01 Nov 2024 00:00:00 GMT https://hdl.handle.net/10259/9573 2024-11-01T00:00:00Z