Current Research

List of Publications

Current Research

2025

Urinary Metabolic Biomarkers of Attentional Control in Children With Attention-Deficit/Hyperactivity Disorder: A Dimensional Approach Through 1H NMR-Based Metabolomics

Ana del Mar Salmerón, Pilar Fernández-Martín, Rocío Rodríguez-Herrera, Francisco Manuel Arrabal-Campos, Ana Cristina Abreu, Ignacio Fernández and Pilar Flores

NMR in Biomedicine, 2025, 38, e70088. 10.1002/nbm.70088

URL: https://doi.org/10.1002/nbm.70088

Regularized Kaczmarz Solvers for Robust Inverse Laplace Transforms

Marta González-Lázaro, Eduardo Viciana, Víctor Valdivieso, Ignacio Fernández and Francisco Manuel Arrabal-Campos

Mathematics, 2025, 13, 2166. 10.3390/math13132166

URL: https://doi.org/10.3390/math13132166

Design and characterization of a multifunctional Ag/Ag(I)-coated olive stone material for enhanced preservation and antibacterial protection

Arantxa Forte-Castro, Juana M. Pérez, Miguel A. Domene, Karina Ovejero-Paredes, Marco Filice and Ignacio Fernández

Food Packaging and Shelf Life, 2025, 49, 101526. 10.1016/j.fpsl.2025.101526

URL: https://doi.org/10.1016/j.fpsl.2025.101526

Metabolic Profiling of Tomato Plants Infected with Tomato Brown Rugose Fruit Virus: Insights into Plant Defense Mechanisms and Potential Prebiotic Interventions

Ana del Mar Salmerón, Ana Cristina Abreu, Ana Isabel Tristán, Silvia Fernández, Juan Enrique Gázquez-Expósito, Fernando Pérez-Martín, Carlos Meza-Tapia, Francisco Javier del Águila-Capel, Ignacio Fernández

ACS Agricultural Science & Technology, 2025, 5, 714–724. 10.1021/acsagscitech.4c00557

URL: https://doi.org/10.1021/acsagscitech.4c00557

Exploring the NMR Metabolic Landscape of Chrysochromulina rotalis: The Impact of Photobioreactor Configurations and Culture Conditions

Ana Cristina Abreu, Adrián Macías-de la Rosa, Ana Isabel Tristán, Lorenzo López-Rosales, Ana del Mar Salmerón, Asterio Sánchez-Mirón, Francisco García-Camacho, María del Carmen Cerón-García and Ignacio Fernández

Journal of Agriculture and Food Chemistry, 2025, 73, 8660–8674. 10.1021/acs.jafc.5c00160

URL: https://doi.org/10.1021/acs.jafc.5c00160

Concentration-independent molecular weight determination of polymers via diffusion NMR: A universal approach across solvents

Francisco Manuel Arrabal-Campos, Marta González-Lázaro, Juana M. Pérez, Juan A. Martínez Lao, and Ignacio Fernández

European Polymer Journal, 2025, 226, 113710. 10.1016/j.eurpolymj.2024.113710

URL: https://doi.org/10.1016/j.eurpolymj.2024.113710

Novel NMR-Based Approach to Reveal the ‘Metabolic Fingerprint’ of Cytotoxic Gold Drugs in Cancer Cells

Veronica Ghini, Ana Isabel Tristán, Giorgio Di Paco, Lara Massai, Michele Mannelli, Tania Gamberi, Ignacio Fernández, Antonio Rosato, Paola Turano and Luigi Messori

Journal of Proteome Research, 2025, 24, 813–823. 10.1021/acs.jproteome.4c00904

URL: https://doi.org/10.1021/acs.jproteome.4c00904

2024

From Nutritional Patterns to Behavior: High-Fat Diet Influences on Inhibitory Control, Brain Gene Expression, and Metabolomics in Rats

Diego Ruiz-Sobremazas, Ana Cristina Abreu, Ángeles Prados-Pardo, Elena Martín-González, Ana Isabel Tristán, Ignacio Fernández, Margarita Moreno and Santiago Mora

ACS Chemical Neuroscience, 2024, 15, 4369−4382. 10.1021/acschemneuro.4c00297

URL: https://doi.org/10.1021/acschemneuro.4c00297

New Copper(I) oxide biocatalyst based on functionalized olive stone for the synthesis of 1,4-disubstituted-1,2,3-triazoles under very mild conditions

Arantxa Forte-Castro, Juana M. Pérez, Celia García-Mañas, Gracia García-García, Pedro Urquiza, Tania Romacho and Ignacio Fernández

Sustainable Chemistry and Pharmacy, 2024, 42, 101832. 10.1016/j.scp.2024.101832

URL: https://doi.org/10.1016/j.scp.2024.101832

Electrospun nanofibers for localized drug release of a neuroprotective natural extract of Usnea ghattensis

María de la Cabeza Fernández, Marta Sánchez, Laura Lozano-Chamizo, Ana Cristina Abreu, Ana Anguís-Morillas, Padreep K Divakar, Marzia Marciello, Marco Filice, Victor Gonzalez-Rumayor, Ignacio Fernández, Rafael Contreras-Cáceres and Pilar Gómez-Serranillos

European Journal of Pharmaceutics and Biopharmaceutics, 2024, 205, 114552. 10.1016/j.ejpb.2024.114552

URL: https://doi.org/10.1016/j.ejpb.2024.114552

Metabolomic profiling of COVID-19 using serum and urine samples in intensive care and medical ward cohorts

Ana Isabel Tristán, Cristina Jiménez-Luna, Ana Cristina Abreu, Francisco Manuel Arrabal-Campos, Ana del Mar Salmerón, Firma Isabel Rodríguez, Manuel Ángel Rodríguez Maresca, Antonio Bernardino García, Consolación Melguizo, Jose Prados and Ignacio Fernández

Scientific Reports, 2024, 14, 23713 . 10.1038/s41598-024-74641-9

URL: https://doi.org/10.1038/s41598-024-74641-9

Exhausted plant cell culture media as potential biostimulants to enhance plant growth and nitrogen use efficiency in tomatoes under optimal and reduced nitrogen supply

Claudio Cannata, Federico Basile, Emanuele La Bella, Stefania Arciello, Ana Cristina Abreu, Ignacio Fernández, Cherubino Leonardi and Rosario Paolo Mauro

Journal of Plant Nutrition and Soil Science, 2024, 2024, 780–791. 10.1002/jpln.202300464

URL: https://doi.org/10.1002/jpln.202300464

Exopolysaccharides as bio-based rheology modifiers from microalgae produced on dairy industry waste: Towards a circular bioeconomy approach

Luiggi Cavalcanti Pessôa, Solaima Belachqer-El Attar, Ana Sánchez-Zurano, Martina Ciardi, Ainoa Morillas-España, Cristina Ruiz-Martínez, Ignacio Fernández, Francisco M. Arrabal-Campos, Luiz A.M. Pontes, Jania Betania Alves da Silva, Lucas Guimarães Cardoso, Carolina Oliveira de Souza, Gabriel Acién and Denilson de Jesus Assis

International Journal of Biological Macromolecules, 2024, 279, 135246. 10.1016/j.ijbiomac.2024.135246

URL: https://doi.org/10.1016/j.ijbiomac.2024.135246

Development of an Earth-Field Nuclear Magnetic Resonance Spectrometer: Paving the Way for AI-Enhanced Low-Field Nuclear Magnetic Resonance Technology

Eduardo Viciana, Juan A. Martínez-Lao, Emilio López-Lao, Ignacio Fernández and Francisco M. Arrabal-Campos

Sensors, 2024, 24, 5537. 10.3390/s24175537

URL: https://doi.org/10.3390/s24175537

Sustainable synthesis and characterization of cobalt-based biocatalysts from olive stone waste for enhanced curing of unsaturated polyester resins

Melissa Olmedo-Navarro, Juana M. Pérez and Ignacio Fernández

Polymer, 2024, 311, 127481. 10.1016/j.polymer.2024.127481

URL: https://doi.org/10.1016/j.polymer.2024.127481

Functionalized olive wood shell stone as a new revalorized agri-food waste active in organocatalysis

Juana M. Pérez, Cristina Ruiz-Martínez, Ana Belén Ruiz-Muelle, Bernardo Sánchez-Sevilla, Antonio Rodríguez-Diéguez, Manuel S. Romero-Cano and Ignacio Fernández

Environmental Technology & Innovation, 2024, 36, 103740. 10.1016/j.eti.2024.103740

URL: https://doi.org/10.1016/j.eti.2024.103740

Exploring microbiota-gut-brain axis biomarkers linked to autism spectrum disorder in prenatally chlorpyrifos-exposed Fmr1 knock-out and wild-type male rats

Ana M. Salmerón, Cristian Pérez-Fernández, Ana C. Abreu, Silvia Fernández, Ana I. Tristán, Diego Ruiz-Sobremazas, María Cabré, Laia Guardia-Escote, Ignacio Fernández and Fernando Sánchez-Santed

Toxicology, 2024, 506, 153871. 10.1016/j.tox.2024.153871

URL: https://doi.org/10.1016/j.tox.2024.153871

Structure and Solution Behavior of Rare-Earth-Metal Complexes with Tripodal N-Donor Ligands

Perrine M. R. Wingering, Felix Krämer, Melina E. A. Dilanas, Cristina Ruiz-Martínez, Ignacio Fernández and Frank Breher

Chemistry A European Journal, 2024, 30, e202400781. 10.1002/chem.202400781

URL: https://doi.org/10.1002/chem.202400781

Morphological effect on Core@shell AuAg nanoparticles for detecting p-aminothiophenol dimerization by surface-enhanced Raman spectroscopy

María de la Cabeza Fernández, Alexis Alvear-Jiménez, Arantxa Forte-Castro, Rafael Contreras-Cáceres, María Rosa López-Ramírez

Journal of Raman Spectroscopy, 2024, 55, 855-869 . 10.1002/jrs.6677

URL: https://doi.org/10.1002/jrs.6677

Synthesis, Characterization, and Catalytic Performance of a New Heterobimetallic Y/Tb Metal–Organic Framework with High Catalytic Activity

Mireya E. López-Vargas, Juana M. Pérez, Estitxu Echenique-Errandonea, Arantxa Forte-Castro, Sara Rojas, José M. Seco, Antonio Rodríguez-Diéguez, Iñigo J. Vitorica-Yrezabal, and Ignacio Fernández

ACS Omega, 2024, 9, 26549–26559. 10.1021/acsomega.4c03109

URL: https://doi.org/10.1021/acsomega.4c03109

Floral attractants and rewards to pollinators in Mangifera indica L.

M. Sánchez, Ana Cristina Abreu, Ana Isabel Tristán,Y. Velásquez, Ignacio Fernández and J. Cuevas

Scientia Horticulturae, 2024, 332, 113180. 10.1016/j.scienta.2024.113180

URL: https://doi.org/10.1016/j.scienta.2024.113180

High degree of silanization of olive wood shell stone and its use in polyester biocomposites

Melissa Olmedo-Navarro, Juana M. Pérez, Natalia Gutiérrez-Segura, Bernardo Sánchez-Sevilla, Yolanda Soriano-Jerez, Diego A. Alonso, Mari Carmen Cerón and Ignacio Fernández

RSC Sustainability, 2024, 2, 1030-1039. 10.1039/d3su00475a

URL: https://doi.org/10.1039/D3SU00475A

Green Synthesis of Highly Monodisperse and Spherical Ag Nanoparticles by a Combination of Teucrium ramosissimum Desf. (Lamiaceae) Extracts with Emphasis on the Stabilizing and Capping Biomolecules

Rim Bouhaje, Ana C. Abreu, Silvia Fernández, Mohamed Bayrem-Ghedira, Leila Chekir-Ghedira, Ignacio Fernández, and Rafael Contreras-Caceres

ACS Sustainable Chemistry & Engineering, 2024, 12, 4132–4145. 10.1021/acssuschemeng.3c07504

URL: https://doi.org/10.1021/acssuschemeng.3c07504

Synthesis and Structure Characterization of L-Prolinol Derived Chiral Eutectic Mixtures as Sustainable Solvents in Asymmetric Organocatalysis

José Antonio Ñíguez Elena, Sarah Jayne Burlingham, Rafael Chinchilla, Juana M. Pérez, Ignacio Fernández and Diego A. Alonso

RSC Sustainability, 2024, 2, 499-509. 10.1039/D3SU00349C

URL: https://doi.org/10.1039/D3SU00349C

2023

Crystal, Solution, and Computational Study of the Structure of Ortho-Lithium N,N-Diisopropyl-P,P-Diphenylphosphinothioic Amide

Eva Belmonte Sánchez, Jesús García López, Yolanda Navarro, María José Iglesias, Ignacio Fernández, and Fernando López-Ortiz

Chemistry A European Journal, 2023, 2023, e202303785. 10.1002/chem.202303785

URL: https://doi.org/10.1002/chem.202303785

Role of dynamic surface tension of silicone polyether surfactant-based silicone coatings on protein adsorption: An insight on the ‘ambiguous’ interfacial properties of Fouling Release Coatings

Yolanda Soriano-Jerez, Elliot Gourlaouen, Ouassim Zeriouh, María del Carmen Cerón-García, Francisco M. Arrabal-Campos, Cristina Ruiz-Martínez, Ignacio Fernández, Juan José Gallardo-Rodríguez, Francisco García-Camacho, Emilio Molina-Grima, Christine Bressy

Progress in Organic Coatings, 2023, 186, 108079. 10.1016/j.porgcoat.2023.108079

URL: https://doi.org/10.1016/j.porgcoat.2023.108079

Functionalization and Properties of Olive Wood Shell Stone and Its Use in Polyester Biocomposites

Bernardo Sánchez-Sevilla, Melissa Olmedo-Navarro, Juana M. Pérez, Juan A. Martínez-Lao and Ignacio Fernández

ChemistrySelect, 2023, 8, e202300348. doi.org/10.1002/slct.202300348

URL: https://doi.org/10.1002/slct.202300348

Physiological and metabolomic responses of the ethylene insensitive squash mutant etr2b to drought

Jessica Iglesias-Moya, Ana Cristina Abreu, Sonsoles Alonso, María Trinidad Torres-García, Cecilia Martínez, Ignacio Fernández and Manuel Jamilena

Plant Science, 2023, 336, 111853. 10.1016/j.plantsci.2023.111853

URL: https://doi.org/10.1016/j.plantsci.2023.111853

A step forward in sustainable pesticide production from Amphidinium carterae biomass via photobioreactor cultivation with urea as a nitrogen source

A. Molina-Miras, Ana C. Abreu, L. López Rosales, M. C. Cerón-García, A. Sánchez-Mirón, Ignacio Fernández and F. García-Camacho

Bioresource Technology, 2023, 387, 129643. 10.1016/j.biortech.2023.129643

URL: https://doi.org/10.1016/j.biortech.2023.129643

Synthesis, Crystal Structures, and Ion Pairing of κ6N Complexes with Rare-Earth Elements in the Solid State and in Solution

Perrine M. R. Wingering, Silvia Hohnstein, Felix Krämer, Melina E. A. Dilanas, Cristina Ruiz-Martínez, Ignacio Fernández and Frank Breher

Chemistry A European Journal, 2023, e202301529, 1-14. 10.1002/chem.202301529

URL: https://doi.org/10.1002/chem.202301529

Thermoplastic starch/polyvinyl alcohol blends modification by citric acid–glycerol polyesters

Jennifer M. Castro, Mercedes G. Montalbán, Noelia Martínez-Pérez, Daniel Domene-López, Juana M. Pérez, Francisco M. Arrabal-Campos, Ignacio Fernández, Ignacio Martín-Gullón and Juan C. García-Quesada

International Journal of Biological Macromolecules, 2023, 244, 125478. 10.1016/j.ijbiomac.2023.125478

URL: https://doi.org/10.1016/j.ijbiomac.2023.125478

Serum nuclear magnetic resonance metabolomics analysis of human metastatic colorectal cancer: Biomarkers and pathway analysis

Ana Isabel Tristán, Encarnación González-Flores, Ana del Mar Salmerón, Ana Cristina Abreu, Octavio Caba, Cristina Jiménez-Luna, Consolación Melguizo, José Prados and Ignacio Fernández

NMR in Biomedicine, 2023, e4935, 1-17. 10.1002/nbm.4935

URL: https://doi.org/10.1002/nbm.4935

Implantable Electrospun Nanofibers with Wound-Healing Capabilities in the Reduction of Pressure Ulcers

Rim Bouhaje, Ana Cristina Abreu, Salima Selmi, Christoph Gerke, Ahlem Bellalah, Alexis Alvear-Jiménez, Laura Lozano Chamizo, Marzia Marciello, Gonzalo Villaverde, Ana Isabel Tristán, Leila Chekir-Ghedira, Ignacio Fernández, and Rafael Contreras-Caceres

ACS Applied Polymer Materials, 2023, 5, 429–440. 10.1021/acsapm.2c01585

URL: https://doi.org/10.1021/acsapm.2c01585

Lithium anthraquinoids as catalysts in the ROP of lactide and caprolactone into cyclic polymers

Cristina Ruiz Martínez, Juana M. Pérez, Francisco M. Arrabal-Campos, Antonio Rodríguez-Diéguez, Duane Choquesillo-Lazarte, Juan A. Martínez-Lao, Manuel A. Ortuño and Ignacio Fernández

Polymer Chemistry, 2023, 14, 452-461 . 10.1039/D2PY01076C

URL: https://doi.org/10.1039/D2PY01076C

2022

Metal–Organic Frameworks Based on a Janus-Head Biquinoline Ligand as Catalysts in the Transformation of Carbonyl Compounds into Cyanohydrins and Alcohols

Juana M. Pérez, Samuel Morales-Cámara, Francisco M. García-Salas, Noelia Ruiz-Cuevas, Mireya E. López-Vargas, Duane Choquesillo-Lazarte, Javier Cepeda, Jose A. García, Víctor Karim Abdelkader-Fernández, Antonio Rodríguez-Diéguez, Sara Rojas and Ignacio Fernández

Crystal Growth & Design, 2022, 22, 7395-7404. 10.1021/acs.cgd.2c00985

URL: https://pubs.acs.org/doi/full/10.1021/acs.cgd.2c00985

Improved Performance of a Europium-based Metal-Organic Framework for Cyanosilylation of Demanding Ketones

Juana M. Pérez, Estitxu Echenique-Errandonea, Sara Rojas, Duane Choquesillo-Lazarte, José M. Seco, Mireya E. López-Vargas, Antonio Rodríguez-Diéguez and Ignacio Fernández

ChemCatChem, 2022, 14, e202200967. 10.1002/cctc.202200967

URL: https://doi.org/10.1002/cctc.202200967

Accurate detection of perchlorate in epoxy resins via chlorine-35 quantitative quadrupolar NMR (qQNMR)

Ana Belén Ruiz-Muelle, Felipe Lestón-Cabeo and Ignacio Fernández

Analyst, 2022, 147, 5075-5081. 10.1039/D2AN00759B

URL: https://doi.org/10.1039/D2AN00759B

Effective Method for a Graphene Oxide with Impressive Selectivity in Carboxyl Groups

Iluminada Rodríguez-Pastor, Adelia López-Pérez, María D. Romero-Sánchez, Juana M. Pérez, Ignacio Fernández and Ignacio Martin-Gullon

Nanomaterials, 2022, 12, 3112. 10.3390/nano12183112

URL: https://doi.org/10.3390/nano12183112

A Mixed Heterobimetallic Y/Eu-MOF for the Cyanosilylation and Hydroboration of Carbonyls

Estitxu Echenique-Errandonea, Mireya E. López-Vargas, Juana M. Pérez, Sara Rojas, Duane Choquesillo-Lazarte, José M. Seco, Ignacio Fernández and Antonio Rodríguez-Diéguez

Catalyst, 2022, 12, 299. 10.3390/catal12030299

URL: https://doi.org/10.3390/catal12030299

NMR-based Metabolomics and Fatty Acid Profiles to Unravel Biomarkers in Preclinical Animal Models of Compulsive Behavior

Ana C. Abreu, Santiago Mora, Ana Isabel Tristán, Elena Martín-González, Ángeles Prados-Pardo, Margarita Moreno and Ignacio Fernández

Journal of Proteome Research, 2022, 21, 612 – 622. 10.1021/acs.jproteome.1c00857

URL: https://doi.org/10.1021/acs.jproteome.1c00857

Catalytic Performance and Electrophoretic Behavior of an Yttrium–Organic Framework Based on a Tricarboxylic Asymmetric Alkyne

Juana M. Pérez, Sara Rojas, Amalia García-García, Helena Montes-Andrés, Cristina Ruiz Martínez, Manuel S. Romero-Cano, Duane Choquesillo-Lazarte, Víctor Karim Abdelkader-Fernández, Manuel Pérez-Mendoza, Javier Cepeda, Antonio Rodríguez-Diéguez and Ignacio Fernández

Inorganic Chemistry, 2022, 61, 1377–1384. 10.1021/acs.inorgchem.1c02864

URL: https://doi.org/10.1021/acs.inorgchem.1c02864

Serum Colorectal Cancer Biomarkers Unraveled by NMR Metabolomics: Past, Present, and Future

Ana M. Salmerón, Ana I. Tristán, Ana C. Abreu and Ignacio Fernández

Analytical Chemistry, 2022, 94, 417-430. 10.1021/acs.analchem.1c04360

URL: https://doi.org/10.1021/acs.analchem.1c04360

Quantitative Quadrupolar NMR (qQNMR) via nitrogen-14 for the accurate control of L-carnitine in food supplements

Ana Belén Ruiz-Muelle, Concepción Díaz Navarro and Ignacio Fernández

Journal of Pharmaceutical and Biomedical Analysis, 2022, 210, 114548. 10.1016/j.jpba.2021.114548

URL: https://doi.org/10.1016/j.jpba.2021.114548

2021

Synthesis of a Biodegradable PLA: NMR Signal Deconvolution and End-Group Analysis

Juana M. Pérez, Cristina Ruiz and Ignacio Fernández

Journal of Chemical Education, 2021, 99, 1000-1007. 10.1021/acs.jchemed.1c00824

URL: https://doi.org/10.1021/acs.jchemed.1c00824

Evaluation of ORAC, IR and NMR metabolomics for predicting ripening stage and variety in melon (Cucumis melo L.)

Ana Isabel Tristán, Ana Cristina Abreu, Luis Manuel Aguilera-Sáez, Araceli Peña, Andrés Conesa-Bueno and Ignacio Fernández

Food Chemistry, 2021, 372, 131263. 10.1016/j.foodchem.2021.131263

URL: https://doi.org/10.1016/j.foodchem.2021.131263

Synthesis of high molecular weight L-Polylactic acid (PLA) by reactive extrusion at a pilot plant scale: influence of 1,12-dodecanediol and di(trimethylol propane) as initiators

Sandra Viamonte-Aristizábal, Amador García-Sancho, Francisco M. Arrabal Campos, Juan A. Martínez-Lao and Ignacio Fernández

European Polymer Journal, 2021, 161, 110818. 10.1016/j.eurpolymj.2021.110818

URL: https://doi.org/10.1016/j.eurpolymj.2021.110818

An integrated approach for the efficient separation of specialty compounds from biomass of the marine microalgae Amphidinium carterae

M. López-Rodríguez, M. C. Cerón-García, L. López-Rosales, E. Navarro-López, A. Sánchez Mirón, A. Molina-Miras, A. C. Abreu, Ignacio Fernández and F. García-Camacho

Bioresource Technology, 2021, 342, 125922. j.biortech.2021.125922

URL: https://doi.org/10.1016/j.biortech.2021.125922

A novel yttrium-based metal–organic framework for the efficient solvent-free catalytic synthesis of cyanohydrin silyl ethers

Estitxu Echenique-Errandonea, Juana M. Pérez, Sara Rojas, Javier Cepeda, José M. Seco, Ignacio Fernández and Antonio Rodríguez-Diéguez

Dalton Transactions, 2021, 50, 11720-11724. 10.1039/D1DT01953H

URL: https://doi.org/10.1039/D1DT01953H

Cyclic polylactide synthesis initiated by a lithium anthraquinoid: understanding the selectivity through DFT and diffusion NMR

Cristina Ruiz Martínez, Juana M. Pérez, Francisco M. Arrabal-Campos, María Batuecas, Manuel A. Ortuño and Ignacio Fernández

Polymer Chemistry, 2021, 12, 4083-4092. 10.1039/D1PY00547B

URL: https://doi.org/10.1039/D1PY00547B

Solution NMR in human embryo culture media as an option for assessment of embryo implantation potential

Ana M. Salmerón, Ana Cristina Abreu, Miguel Vilches‐Ferrón and Ignacio Fernández

NMR in Biomedicine, 2021, 34, e4536. 10.1002/nbm.4536

URL: https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/nbm.4536

Quantitative Quadrupolar NMR (qQNMR) using Nitrogen-14 for the determination of choline in complex matrixes

Ana B. Ruiz-Muelle, Paula García-Moreno and Ignacio Fernández

Talanta, 2021, 230, 122344. 10.1016/j.talanta.2021.122344

URL: https://www.sciencedirect.com/science/article/pii/S0039914021002654

NMR-Based Metabolomics Approach to Explore Brain Metabolic Changes Induced by Prenatal Exposure to Autism-Inducing Chemicals

Ana Cristina Abreu, Miguel Morales Navas, Cristian Perez Fernández, Fernando Sánchez-Santed and Ignacio Fernández

ACS Chemical Biology, 2021, 16, 753–765. 10.1021/acschembio.1c00053

URL: https://doi.org/10.1021/acschembio.1c00053

Synthesis of Cannabinoids: “In Water” and “On Water” Approaches: Influence of SDS Micelles

José F. Quílez del Moral and Cristina Ruiz Martínez and Helena Pérez del Pulgar and Juan Eduardo Martín González and Ignacio Fernández and José Luis López-Pérez and Alejandro Fernández-Arteaga and Alejandro F. Barrero

The Journal Of Organic Chemistry, 2021, 86, 3344–3355. 10.1021/acs.joc.0c02698

URL: https://doi.org/10.1021/acs.joc.0c02698

2020

Unraveling the Active Biomolecules Responsible for the Sustainable Synthesis of Nanoscale Silver Particles through Nuclear Magnetic Resonance Metabolomics

David Asmat-Campos, Ana C Abreu, Manuel S Romero-Cano, Josué Urquiaga-Zavaleta, Rafael Contreras-Cáceres, Daniel Delfín-Narciso, Luisa Juárez-Cortijo, Renny Nazario-Naveda, Roger Rengifo-Penadillos, Ignacio Fernández

ACS Sustainable Chemistry & Engineering, 2020, 8, 17816-17827. 10.1021/acssuschemeng.0c06903

URL: https://doi.org/10.1021/acssuschemeng.0c06903

Donor Functionalized Iron(II) N-Heterocyclic Carbene Complexes in Transfer Hydrogenation Reactions

Rita Lopes, Álvaro Raya-Barón, Paula M Robalo, Carolina Vinagreiro, Sónia Barroso, Maria J. Romao, Ignacio Fernández, Mariette M. Pereira, Beatriz Royo

European Journal of Inorganic Chemistry, 2020, 1, 22-29. 10.1002/ejic.202000868

URL: https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/ejic.202000868

NMR Metabolomics Applied on the Discrimination of Variables Influencing Tomato (Solanum lycopersicum)

Ana Cristina Abreu and Ignacio Fernández

Molecules, 2020, 25, 3738. 10.3390/molecules25163738

URL: https://www.mdpi.com/1420-3049/25/16/3738

Accelerating role of deaggregation agents in lithium-catalysed hydrosilylation of carbonyl compounds

Ruiz C, Raya-Barón Á, Ortuño MA, Fernandez I.

Dalton Trans., 2020, 49, 7932-7937. 10.1039/D0DT01540G

URL: http://dx.doi.org/10.1039/D0DT01540G

Virtual Issue on New Tools and Methods in Physical Chemistry Research

Anne B. McCoy

The Journal of Physical Chemistry A, 2020, 124, 4323-4324. 10.1021/acs.jpca.0c04262

URL: https://doi.org/10.1021/acs.jpca.0c04262

Designing Single-Molecule Magnets as Drugs with Dual Anti-Inflammatory and Anti-Diabetic Effects

Arturo Navas, Fatin Jannus, Belén Fernández, Javier Cepeda, Marta Medina O’Donnell, Luis Díaz-Ruiz, Cristina Sánchez-González, Juan Llopis, JoséM. Seco, E. Rufino-Palomares, José Antonio Lupiáñez, Santiago Gómez-Ruiz, José Luis Quiles, Maurizio Battino, Duane Choquesillo-Lazarte, Ana Belén Ruiz-Muelle, Ignacio Fernández, Fernando Reyes-Zurita and Antonio Rodríguez-Diéguez

International Journal of Molecular Sciences, 2020, 21, 3146. 10.3390/ijms21093146

URL: https://www.mdpi.com/1422-0067/21/9/3146

Medium and long-term effects of low doses of Chlorpyrifos during the postnatal, preweaning developmental stage on sociability, dominance, gut microbiota and plasma metabolites

Perez-Fernandez C, Morales-Navas M, Aguilera-Sáez LManuel, Abreu ACristina, Guardia-Escote L, Fernández I, Garrido-Cárdenas JAntonio, Colomina MTeresa, Giménez E, Sánchez-Santed F.

Environmental Research, 2020, 184, 109341. https://doi.org/10.1016/j.envres.2020.109341

URL: http://www.sciencedirect.com/science/article/pii/S0013935120302346

Improved extraction of bioactive compounds from biomass of the marine dinoflagellate microalga Amphidinium carterae

López-Rodríguez M, Cerón-García M.C, López-Rosales L, Navarro-López E, Mirón A. Sánchez, Molina-Miras A, Abreu A. C, Fernández I, García-Camacho F.

Bioresource Technology, 2020, 313, 123518. https://doi.org/10.1016/j.biortech.2020.123518

URL: http://www.sciencedirect.com/science/article/pii/S0960852420307902

Chapter 2 - Nuclear magnetic resonance to study bacterial biofilms structure, formation, and resilience

Ana C. Abreu and Ignacio Fernández

Recent Trends in Biofilm Science and Technology, 2020, n/a, 23-70. https://doi.org/10.1016/B978-0-12-819497-3.00002-7

URL: http://www.sciencedirect.com/science/article/pii/B9780128194973000027

In vitro evaluation of leishmanicidal properties of a new family of monodimensional coordination polymers based on diclofenac ligand

Amalia García-García, José M. Méndez-Arriaga, Rubén Martín-Escolano, Javier Cepeda, Santiago Gómez-Ruiz, Alfonso Salinas-Castillo, José M. Seco, Manuel Sánchez-Moreno, Duane Choquesillo-Lazarte, Ana Belén Ruiz-Muelle, Ignacio Fernández, Clotilde Marín, Antonio Rodríguez-Diéguez

Polyhedron, 2020, 184, 114570. https://doi.org/10.1016/j.poly.2020.114570

URL: http://www.sciencedirect.com/science/article/pii/S0277538720302278

2019

Production of Amphidinols and Other Bioproducts of Interest by the Marine Microalga Amphidinium carterae Unraveled by Nuclear Magnetic Resonance Metabolomics Approach Coupled to Multivariate Data Analysis

Abreu ACristina, Molina-Miras A, Aguilera-Sáez LM, López-Rosales L, Cerón-García Mdel Carmen, Sánchez-Mirón A, Olmo-García L, Carrasco-Pancorbo A, García-Camacho F, Molina-Grima E.

Journal of Agricultural and Food Chemistry, 2019, 67, 9667-9682. 10.1021/acs.jafc.9b02821

URL: https://doi.org/10.1021/acs.jafc.9b02821

NMR Metabolomics as an Effective Tool To Unravel the Effect of Light Intensity and Temperature on the Composition of the Marine Microalgae Isochrysis galbana

Aguilera-Saez LManuel, Abreu ACristina, Camacho-Rodríguez J, González-López CVictoria, Cerón-García Mdel Carmen, Fernandez I.

Journal of Agricultural and Food Chemistry, 2019, 67, 3879-3889. 10.1021/acs.jafc.8b06840

URL: https://doi.org/10.1021/acs.jafc.8b06840

Algebraic Reconstruction Technique for Diffusion NMR Experiments. Application to the Molecular Weight Prediction of Polymers

Arrabal-Campos FM, Aguilera-Sáez LM, Fernandez I.

The Journal of Physical Chemistry A, 2019, 123, 943-950. 10.1021/acs.jpca.8b08584

URL: https://doi.org/10.1021/acs.jpca.8b08584

Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties

Ruiz C, García-Valdivia AA, Fernández B, Cepeda J, Oyarzabal I, Abas E, Laguna M, García JÁngel, Fernandez I, San Sebastian E

CrystEngComm, 2019, 21, 3881-3890. 10.1039/C9CE00292H

URL: http://dx.doi.org/10.1039/C9CE00292H

Hybrid surfaces active in catalysis based on gold nanoparticles modified with redox-active pendants and polymer brushes

Ruiz-Muelle ABelén, Kuttner C, Alarcón-Fernández C, López-Romero JManuel, Uhlmann P, Contreras-Cáceres R, Fernández I.

Applied Surface Science, 2019, 496, 143598. https://doi.org/10.1016/j.apsusc.2019.143598

URL: http://www.sciencedirect.com/science/article/pii/S0169433219323955

Chapter Three - Diffusion NMR spectroscopy applied to coordination and organometallic compounds

Álvaro Raya-Barón, P. Oña and Ignacio Fernández

Annual Reports on NMR Spectroscopy, 2019, 98, 125-191. https://doi.org/10.1016/bs.arnmr.2019.04.004

URL: http://www.sciencedirect.com/science/article/pii/S0066410319300158

A diffusion NMR method for the prediction of the weight-average molecular weight of globular proteins in aqueous media of different viscosities

Arrabal-Campos FM, Aguilera-Sáez LM, Fernandez I.

Anal. Methods, 2019, 11, 142-147. 10.1039/C8AY01817K

URL: http://dx.doi.org/10.1039/C8AY01817K

Iron-Catalyzed Homogeneous Hydrosilylation of Ketones and Aldehydes: Advances and Mechanistic Perspective

Raya-Barón Á, Oña-Burgos P, Fernandez I.

ACS Catalysis, 2019, 0, 5400-5417. 10.1021/acscatal.9b00201

URL: https://doi.org/10.1021/acscatal.9b00201

Use of multivariate NMR analysis in the content prediction of hemicellulose, cellulose and lignin in greenhouse crop residues

Aguilera-Sáez LM, Arrabal-Campos FM, Callejón-Ferre ÁJ, Medina MDSuárez, Fernández I.

Phytochemistry, 2019, 158, 110 - 119. https://doi.org/10.1016/j.phytochem.2018.11.013

URL: http://www.sciencedirect.com/science/article/pii/S0031942218305181

Effect of a Shading Mesh on the Metabolic, Nutritional, and Defense Profiles of Harvested Greenhouse-Grown Organic Tomato Fruits and Leaves Revealed by NMR Metabolomics

Abreu Ana, Marín P, Aguilera-Saez Luis Manuel, Tristán Isabel, Peña A, Oliveira I, Simões M, Valera D and Ignacio Fernandez

Journal of Agricultural and Food Chemistry, 2019, 67, 12972–12985. 10.1021/acs.jafc.9b05657

URL: https://doi.org/10.1021/acs.jafc.9b05657

2018

Bioactive Compounds from Theobroma cacao: Effect of Isolation and Safety Evaluation

Cádiz-Gurrea Mde la Luz, Nieves IFernández, Saez LManuel Agu, Fernández-Arroyo S, Legeai-Mallet L, Bouaziz M, Segura-Carretero A.

Plant Foods for Human Nutrition, 2018, 74, 40–46. 10.1007/s11130-018-0694-x

URL: https://doi.org/10.1007/s11130-018-0694-x

Characterization of bioactive compounds of Annona cherimola L. leaves using a combined approach based on HPLC-ESI-TOF-MS and NMR

Díaz-de-Cerio E, Aguilera-Saez LManuel, Gómez-Caravaca AMaría, Verardo V, Fernández-Gutiérrez A, Fernandez I, Arráez-Román D.

Analytical and Bioanalytical Chemistry, 2018, 410, 3607--3619. 10.1007/s00216-018-1051-5

URL: https://doi.org/10.1007/s00216-018-1051-5

Hydrosilylation of Carbonyl Compounds Catalyzed through a Lithiated Hydrazone Derivative

Raya-Barón Á, Oña-Burgos P, Rodríguez-Diéguez A, Fernandez I.

Organometallics, 2018, 37, 2682-2689. 10.1021/acs.organomet.8b00315

URL: https://doi.org/10.1021/acs.organomet.8b00315

NMR-Based Metabolomics Approach To Study the Influence of Different Conditions of Water Irrigation and Greenhouse Ventilation on Zucchini Crops

Abreu ACristina, Aguilera-Saez LManuel, Peña A, García-Valverde M, Marín P, Valera DL, Fernandez I.

Journal of Agricultural and Food Chemistry, 2018, 66, 8422-8432. 10.1021/acs.jafc.8b02590

URL: https://doi.org/10.1021/acs.jafc.8b02590

Au@p4VP core@shell pH-sensitive nanocomposites suitable for drug entrapment

Clara-Rahola J, Moscoso A, Ruiz-Muelle ABelén, Laurenti M, Formanek P, Lopez-Romero JM, Fernández I, J. Diaz F, Rubio-Retama J, Fery A.

Journal of Colloid and Interface Science, 2018, 514, 704 - 714. https://doi.org/10.1016/j.jcis.2017.12.072

URL: http://www.sciencedirect.com/science/article/pii/S0021979717314637

Design and synthesis of a family of 1D-lanthanide-coordination polymers showing luminescence and slow relaxation of the magnetization

Ruiz-Muelle ABelén, García-García A, García-Valdivia AA, Oyarzabal I, Cepeda J, Seco JM, Colacio E, Rodríguez-Diéguez A, Fernandez I.

Dalton Trans., 2018, 47, 12783-12794. 10.1039/C8DT02592D

URL: http://dx.doi.org/10.1039/C8DT02592D

A new anthraquinoid ligand for the iron-catalyzed hydrosilylation of carbonyl compounds at room temperature: new insights and kinetics

Raya-Barón Á, Galdeano-Ruano CP, Oña-Burgos P, Rodríguez-Diéguez A, Langer R, Lopez-Ruiz R, Romero-Gonzalez R, Kuzu I, Fernandez I.

Dalton Trans., 2018, 47, 7272-7281. 10.1039/C8DT01123K

URL: http://dx.doi.org/10.1039/C8DT01123K

Polyacrylic acid polymer brushes as substrates for the incorporation of anthraquinone derivatives. Unprecedented application of decorated polymer brushes on organocatalysis

Ruiz-Muelle ABelén, Contreras-Cáceres R, Oña-Burgos P, Rodríguez-Dieguez A, López-Romero JManuel, Fernández I.

Applied Surface Science, 2018, 428, 566 - 578. https://doi.org/10.1016/j.apsusc.2017.09.150

URL: http://www.sciencedirect.com/science/article/pii/S0169433217327988

Pushing the frontiers: boron-11 NMR as a method for quantitative boron analysis and its application to determine boric acid in commercial biocides

Aguilera-Saez LManuel, Belmonte-Sanchez JRaul, Romero-Gonzalez R, Vidal JLuis Marti, Arrebola FJavier, Frenich AGarrido, Fernandez I.

Analyst, 2018, 143, 4707-4714 . 10.1039/C8AN00505B

URL: http://dx.doi.org/10.1039/C8AN00505B

Modulating Anticancer Potential by Modifying the Structural Properties of a Family of Zinc Metal--Organic Chains Based on 4-Nitro-1H-pyrazole

Fernández B, Fernandez I, Cepeda J, Medina-O’Donnell M, Rufino-Palomares EE, Raya-Barón Á, Gómez-Ruiz S, Pérez-Jiménez A, Lupiáñez JAntonio, Reyes-Zurita FJ.

Crystal Growth & Design, 2017, 18, 969–978. 10.1021/acs.cgd.7b01443

URL: http://dx.doi.org/10.1021/acs.cgd.7b01443

2017

Covalent immobilization of dysprosium-based metal-organic chains on silicon-based polymer brush surfaces

Ruiz-Muelle ABelén, Rodríguez-Diéguez A, Contreras-Caceres R, Fernandez I.

New J. Chem., 2017, 41, 7007-7011. 10.1039/C7NJ00683G

URL: http://dx.doi.org/10.1039/C7NJ00683G

MCM-41 as novel solid phase sorbent for the pre-concentration of pesticides in environmental waters and determination by microflow liquid chromatography-quadrupole linear ion trap mass spectrometry

García M.D.Gil, Dahane S., Arrabal-Campos F.M., SocíasViciana M.M., García M.A., Fernández I., M. Galera M.

Microchemical Journal, 2017, 134, 181-190. https://doi.org/10.1016/j.microc.2017.06.008

URL: http://www.sciencedirect.com/science/article/pii/S0026265X17302060

Building "My First NMRviewer'': A Project Incorporating Coding and Programming Tasks in the Undergraduate Chemistry Curricula

Arrabal-Campos FM, Cortés-Villena A, Fernandez I.

Journal of Chemical Education, 2017, 94, 1372-1376. 10.1021/acs.jchemed.7b00304

URL: http://dx.doi.org/10.1021/acs.jchemed.7b00304

Dinuclear Coordination Compounds Based on a 5-Nitropicolinic Carboxylate Ligand with Single-Molecule Magnet Behavior

Raya-Barón Á, Oyarzabal I, Arrabal-Campos FM, Seco JManuel, Rodríguez-Diéguez A, Fernandez I.

Inorganic Chemistry, 2017, 56, 8768-8775. 10.1021/acs.inorgchem.7b00388

URL: http://dx.doi.org/10.1021/acs.inorgchem.7b00388

Modulating Anticancer Potential by Modifying the Structural Properties of a Family of Zinc Metal--Organic Chains Based on 4-Nitro-1H-pyrazole

Fernández B, Fernandez I, Cepeda J, Medina-O’Donnell M, Rufino-Palomares EE, Raya-Barón Á, Gómez-Ruiz S, Pérez-Jiménez A, Lupiáñez JAntonio, Reyes-Zurita FJ.

Crystal Growth & Design, 2017, 18, 969–978. 10.1021/acs.cgd.7b01443

URL: http://dx.doi.org/10.1021/acs.cgd.7b01443

The metabolic pathway of flonicamid in oranges using an orthogonal approach based on high-resolution mass spectrometry and nuclear magnetic resonance

Lopez-Ruiz R., Ruiz-Muelle A.B, Romero-Gonzalez R., Fernández I., Vidal J.LMartine, A. Frenich G.

Anal. Methods, 2017, 9, 1718-1726. 10.1039/C7AY00101K

URL: http://dx.doi.org/10.1039/C7AY00101K

Molecular weight prediction in polystyrene blends. Unprecedented use of a genetic algorithm in pulse field gradient spin echo (PGSE) NMR

Arrabal-Campos FM, Alvarez JD, Garcia-Sancho A, Fernandez I.

Soft Matter, 2017, 13, 6620-6626. 10.1039/C7SM01569K

URL: http://dx.doi.org/10.1039/C7SM01569K

2016

Efficient Hydrosilylation of Acetophenone with a New Anthraquinonic Amide-Based Iron Precatalyst

Raya-Barón Á, Ortuño MA, Oña-Burgos P, Rodríguez-Diéguez A, Langer R, Cramer CJ, Kuzu I, Fernandez I.

Organometallics, 2016, 35, 4083-4089. 10.1021/acs.organomet.6b00765

URL: http://dx.doi.org/10.1021/acs.organomet.6b00765

Flavonoid glycosides from Persea caerulea. Unraveling their interactions with SDS-micelles through matrix-assisted DOSY, PGSE, mass spectrometry, and NOESY

lvarez JMÁ, Raya-Barón Á, Nieto PM, Cuca LE, Carrasco-Pancorbo A, Fernández-Gutiérrez A, Fernandez I.

Magnetic Resonance in Chemistry, 2016, 54, 718--728. 10.1002/mrc.4434

URL: http://dx.doi.org/10.1002/mrc.4434

Difluoroborenium Cation Stabilized by Hexaphenyl-Carbodiphosphorane: A Concise Study on the Molecular and Electronic Structure of [(Ph3P)2C⇉BF2][BF4]

Münzer JE, Oña-Burgos P, Arrabal-Campos FM, Neumüller B, Tonner R, Fernandez I, Kuzu I.

European Journal of Inorganic Chemistry, 2016, 2016, 3852--3858. 10.1002/ejic.201600519

URL: http://dx.doi.org/10.1002/ejic.201600519

Unprecedented Spectroscopic and Computational Evidence for Allenyl and Propargyl Titanocene(IV) Complexes: Electrophilic Quenching of Their Metallotropic Equilibrium

Ruiz-Muelle ABelén, Oña-Burgos P, Ortuño MA, J. Oltra E, Rodríguez-García I, Fernandez I.

Chemistry -- A European Journal, 2016, 22, 2427--2439. 10.1002/chem.201504281

URL: http://dx.doi.org/10.1002/chem.201504281

Phenolic constituents of leaves from Persea caerulea Ruiz & Pav; Mez (Lauraceae)

Alvárez JM, Cuca LE, Carrasco-Pancorbo A, Ruiz-Muelle ABelén, Fernández I, Fernández-Gutiérrez A.

Biochemical Systematics and Ecology, 2016, 67, 53 - 57. http://dx.doi.org/10.1016/j.bse.2016.05.010

URL: http://www.sciencedirect.com/science/article/pii/S0305197816301089

Molecular weight prediction with no dependence on solvent viscosity. A quantitative pulse field gradient diffusion NMR approach

Arrabal-Campos FM, Oña-Burgos P, Fernandez I.

Polym. Chem., 2016, 7, 4326-4329. 10.1039/C6PY00691D

URL: http://dx.doi.org/10.1039/C6PY00691D

2015

Cover Picture: Peptoid-Ligated Pentadecanuclear Yttrium and Dysprosium Hydroxy Clusters (Chem. Eur. J. 7/2015)

Thielemann DT, Wagner AT, Lan Y, Oña-Burgos P, Fernández I, Rösch ES, Kölmel DK, Powell AK, Bräse S, Roesky PW.

Chemistry -- A European Journal, 2015, 21, 2709--2709. 10.1002/chem.201590025

URL: http://dx.doi.org/10.1002/chem.201590025

Peptoid-Ligated Pentadecanuclear Yttrium and Dysprosium Hydroxy Clusters

Thielemann DT, Wagner AT, Lan Y, Oña-Burgos P, Fernández I, Rösch ES, Kölmel DK, Powell AK, Bräse S, Roesky PW.

Chemistry -- A European Journal, 2015, 21, 2709--2709. 10.1002/chem.201590025

URL: http://dx.doi.org/10.1002/chem.201590025

2014

From Neutral to Ionic Species: Syntheses and X-ray Crystallographic and Multinuclear NMR Spectroscopic Studies of Li···P(SiMe3)--PtBu2 and Its Solvent Complexes

Sattler E, Matern E, Rothenberger A, Okrut A, Bombicz P, Fernandez I, Kovács I.

European Journal of Inorganic Chemistry, 2014, 2014, 221--232. 10.1002/ejic.201301189

URL: http://dx.doi.org/10.1002/ejic.201301189

2013

Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes

Loble MW, Oña-Burgos P, Fernandez I, Apostolidis C, Morgenstern A, Walter O, Bruchertseifer F, Kaden P, Vitova T, Rothe J.

Chem. Sci., 2013, 4, 3717-3724. 10.1039/C3SC50708D

URL: http://dx.doi.org/10.1039/C3SC50708D

On the Solution Behaviour of Benzyllithium⋅(−)-Sparteine Adducts and Related Lithium Organyls -- A Case Study on Applying 7Li,15N1H HMQC and Further NMR Methods, Including Some Investigation into Asymmetric Synthesis

Casimiro M, Oña-Burgos P, Meyer J, Styra S, Kuzu I, Breher F, Fernandez I.

Chemistry -- A European Journal, 2013, 19, 691--701. 10.1002/chem.201202346

URL: http://dx.doi.org/10.1002/chem.201202346

A novel tridentate bis(phosphinic acid)phosphine oxide based europium(iii)-selective Nafion membrane luminescent sensor

Sainz-Gonzalo F.J, Popovici C., Casimiro M., Raya-Baron A., López-Ortiz F., Fernández I., Fernandez-Sanchez J.F, Fernandez-Gutierrez A.

Analyst, 2013, 138, 6134-6143. 10.1039/C3AN00064H

URL: http://dx.doi.org/10.1039/C3AN00064H