Proyecto de Investigación: SIMULACIONES EXPERIMENTALES DE QUIMICA PREBIOTICA: CONTRIBUCIONES, BIO-FIRMAS Y PROTOCOLOS PARA EL RETORNO DE MUESTRAS DE MARTE
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PID2022-140180OB-C22
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Publicaciones
Strong parameter hierarchy in the interstellar phosphorus chemical network
(Frontiers in Bioscience Publications, 2025-07-30) Marina, Fernández-Ruz; Jimenez-Serra, Izaskun; Castro, Mario; Ruiz-Bermejo, Marta; Aguirre, Jacobo; European Research Council (ERC); Ministerio de Ciencia e Innovación (MICINN); Consejo Superior de Investigaciones Científicas (CSIC)
Phosphorus-bearing molecules are fundamental for life on Earth, yet their astrochemical origins remain poorly understood. Their formation in the interstellar medium has been challenging to elucidate due to limited spectroscopic detections and the reliance on theoretical models that depend on numerous kinetic parameters whose values are very uncertain. Multi-parameter models often suffer from “sloppiness”, where many parameter combinations exhibit negligible influence on model outcomes, while a few dominate system behavior. In this study, we introduce the Fisher Information Spectral Reduction (FISR) algorithm, a novel and computationally efficient method to reduce the complexity of such sloppy models. Our approach exposes the strong parameter hierarchy governing these systems by identifying and eliminating parameters associated with insensitive directions in the parameter space. Applying this methodology to the phosphorus astrochemistry network, we reduce the number of reaction rate coefficients from 14 to 3, pinpointing the key reactions and kinetic parameters responsible for forming PO and PN, the main phosphorus-bearing molecules typically detected in interstellar space. The simplified model retains its predictive accuracy, offering deeper insights into the mechanisms driving phosphorus chemistry in the interstellar medium. This methodology is applicable to multi-parameter models of any kind and, specifically in astrochemistry, facilitates the development of simpler, more realistic and interpretable models to effectively guide targeted observational efforts.
Rapid SARS-CoV-2 sensing through oxygen reduction reaction catalysed by Au@Pt/Au core@shell nanoparticles
(Elsevier, 2024-12-01) Martínez-Periñán, Emiliano; Palomares-Albarrán, María; Toyos-Rodríguez, Celia; Mateo Marti, Eva; Pariente, Félix; Escosura-Muñiz, Alfredo de la; Gutiérrez-Sánchez, Cristina; Revenga-Parra, Mónica; Lorenzo, Encarnación; Agencia Estatal de Investigación (España); Ministerio de Ciencia e Innovación (MICINN); Comunidad de Madrid
The development of rapid, accurate, sensitive, and low-cost diagnostic methods for COVID-19 detection in real-time is the unique way to control infection sources and monitor illness progression. In this work, we propose an electrochemical biosensor for the rapid and accuracy diagnosis of COVID-19, through the determination of ORF1ab specific sequence. The biosensor is based on the immobilization of a thiolated sequence partially complementary (domain 1) to ORF1ab on gold screen-printed electrodes and the use of bifunctional Au@Pt/Au core@shell nanoparticles modified with a second thiolated sequence partially complementary to ORF1ab (domain 2) as electrochemical indicator of the hybridization of DNA sequences. The synthesized Au@Pt/Au nanoparticles consist of an Au core, a shell of Pt (Au@Pt NPs), that provides an excellent electrocatalytic activity toward the oxygen reduction reaction (ORR) even after formation of hybrid biomaterials by modification, through the Au protuberances growth on the NPs surface, with an oligonucleotide with recognition ability. The ORR electrochemical activity, enhanced by the label element (Au@Pt/Au NPs), has been employed, for the first time, as indicator of the hybridization event. Based on this strategy, target sequences of the SARS-CoV-2 virus have been detected with a detection limit of 32 pM. The selectivity of the biosensor was confirmed by analysing ORF1ab sequence in the presence of DNA sequences from other viruses. The biosensor has been successfully applied to the direct detection of the virus in non-amplified samples of nasopharyngeal swabs from infected and non-infected patients. Results compare well with those obtained through RT-qPCR but our method is more rapid since does not need any amplification process.
