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Molecular dynamics study on the interfacial properties of mixtures of monomers of polyvinylpyrrolidone (PVP)-based battery binders on graphene and graphite surfaces
Gutiérrez Vega, Alberto
; Aparicio Martínez, Santiago; Pekarovicova, Alexandra; Wu, Qingliu; Atilhan, Mert
(2023-07, AIP Publishing)Artículo -
Insights on the adsorption mechanism of different polyvinylpyrrolidone (PVP)-based battery binders on 2D-materials for LiPF6-Ec-Emc electrolyte via molecular simulations
Wu, Qingliu; Pekarovicova, Alexandra; Aparicio Martínez, Santiago; Gutiérrez Vega, Alberto; Atilhan, Mert
(2024-11, Elsevier)Artículo -
Insights into Carvone: Fatty Acid Hydrophobic NADES for Alkane Solubilization
Aguilar Cuesta, Nuria; Benito, Cristina; Martel Martín, Sonia; Gutiérrez Vega, Alberto; Rozas Azcona, Sara; Marcos Villa, Pedro A.; Bol Arreba, Alfredo; Atilhan, Mert; Aparicio Martínez, Santiago
(2024-12, ACS Publications)Artículo -
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Tailoring Deep Eutectic Solvents: The Role of Hydrated Metal Salts in Modifying Structural Organization and Macroscopic Performance
Pérez Durán, Guadalupe; Hossain, Hamza I.; Muñoz Quintana, Enrique; Castillo Felix, Luis Antonio; Paul, Supti; Aparicio Martínez, Santiago; Gutiérrez Vega, Alberto; Iglesias Silva, Gustavo A.; Atilhan, Mert
(2026-07, ACS Publications)Artículo -
Polarity-Driven Selective Adsorption of Quercetin on Kaolinite: An Integrated DFT and Monte Carlo Study
Ayad, Abdelilah; El Himri, Abdelouahad; Harrou, Achraf; Benali, Mohammed; Dira, Abdelouassia; Aparicio Martínez, Santiago; Gutiérrez Vega, Alberto; Soldera, Armand; Gharibi, Elkhadir
(2026-01, MDPI)Artículo -
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Competitive Hydrogen-Bond Partitioning in Deep Eutectic Solvents: From Cooperative Charge Spreading to Structure–Property Design Rules
Huerta Sainz, Sergio de la; Santamaría, Sara; Escobedo Monge, María Antonieta; Trenzado, José L.; Diez Cabanes, Valentin; Gutiérrez Vega, Alberto; Marcos Villa, Pedro A.; Bol Arreba, Alfredo; Atilhan, Mert; Aparicio Martínez, Santiago
(2026-07, ACS Publications)Artículo -
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A three-tier in silico toxicology framework for formulated essential-oil nanocapsules: integrating molecular hazard, release kinetics and nano-bioavailability for safe-and-sustainable-by-design assessment
Huerta Sainz, Sergio de la; Diez Cabanes, Valentin; Gutiérrez Vega, Alberto; Martel Martín, Sonia; Fernández Pampín, Natalia; Rumbo Lorenzo, Carlos; Marcos Villa, Pedro A.; Bol Arreba, Alfredo; Marson, Domenico; Laurini, Erik; Aparicio Martínez, Santiago
(2026-09, Elsevier)Artículo -
Thymol-Based Natural Deep Eutectic Solvents under Pressure: A Novel Platform for Green Solvents
Ozkilinc, Ozge; Bol Arreba, Alfredo; Soler, Miguel Angel; Fogolari, Federico; Aparicio Martínez, Santiago
(2025-09, American Chemical Society)Artículo -
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Molecular mechanisms of β-cyclodextrin solubilization in natural deep eutectic solvents: A quantum chemical investigation
Huerta Sainz, Sergio de la; Escobedo Monge, María Antonieta; Escobedo-Monge, Marlene Fabiola; Bol Arreba, Alfredo; Marcos Villa, Pedro A.; Atilhan, Mert; Aparicio Martínez, Santiago
(2026-02, Elsevier)Artículo -
Nature's tool kit: Designing biocompatible and affordable NADES for sustainable extraction of plant bioactives
Huerta Sainz, Sergio de la; Escobedo Monge, María Antonieta; Marcos Villa, Pedro A.; Esteban-Ollo, José Antonio; Montejo-Gil, Laura; Conde-Rioll, María; Atilhan, Mert; Bol Arreba, Alfredo; Aparicio Martínez, Santiago
(2025-03, Elsevier)Artículo -
Beyond the blend: Unveiling the thermophysical fingerprints of hydrated choline chloride deep eutectic systems with bio-derived and synthetic hydrogen bond donors
Alcalde García, Rafael T.; Huerta Sainz, Sergio de la; Diez Cabanes, Valentin; Escobedo Monge, María Antonieta; Trenzado, José Luis; Atilhan, Mert; Bol Arreba, Alfredo; Aparicio Martínez, Santiago
(2025-11, Elsevier)Artículo -
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Rational Design of Eco-Friendly Deep Eutectic Solvent Systems for the Recovery of High-Value Phytosterol Compounds
Escobedo Monge, María Antonieta; Huerta Sainz, Sergio de la; Marcos Villa, Pedro A.; Esteban-Ollo, José Antonio; Montejo-Gil, Laura; Conde-Rioll, María; Atilhan, Mert; Bol Arreba, Alfredo; Aparicio Martínez, Santiago
(2025-06, Springer)Artículo -
A paradigm for natural eutectic solvents based on fatty acids: Molecular interactions and toxicological considerations
Martel Martín, Sonia; Di Pietro, Maria Enrica; Gutiérrez Vega, Alberto; Aguilar Cuesta, Nuria; Bol Arreba, Alfredo; Aparicio Martínez, Santiago; Matroodi, Fatima; Rossi, Barbara; Mele, Andrea
(2024-11, Elsevier)Artículo