List of Publications

Current Research


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

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

Talanta, 2021, na, na.    10.1016/j.talanta.2021.122344

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, na, na.    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


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

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, ASAP, .    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

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

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

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

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.

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.

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.

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.


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

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

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

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

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.

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.

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

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

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.

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


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, , .    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

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

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

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.

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, , -.    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, , -.    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.

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, , -.    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, 0, null.    10.1021/acs.cgd.7b01443


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

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.

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

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

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, 0, null.    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

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


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

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

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

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

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.

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


(Iminophosphoranyl)(thiophosphoranyl)methane rare-earth borohydride complexes: synthesis, structures and polymerization catalysis

Schmid M, Oña-Burgos P, Guillaume SM, Roesky PW.

Dalton Trans., 2015, 44, 12338-12348.    10.1039/C4DT04034A

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

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


Coinage Metal Complexes of Tris(pyrazolyl)methanide-Based Redox-Active Metalloligands

González-Gallardo S, Kuzu I, Oña-Burgos P, Wolfer T, Wang C, Klinkhammer KW, Klopper W, Bräse S, Breher F.

Organometallics, 2014, 33, 941-951.    10.1021/om4010498

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

A metallacyclic alkyl-amido carbene complex (MCAAC)

Trapp I, González-Gallardo S, Hohnstein S, Garnier D, Oña-Burgos P, Breher F.

Dalton Trans., 2014, 43, 4313-4319.    10.1039/C3DT52591K


Chiral Rare Earth Borohydride Complexes Supported by Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization of rac-Lactide

Kratsch J, Kuzdrowska M, Schmid M, Kazeminejad N, Kaub C, Oña-Burgos P, Guillaume SM, Roesky PW.

Organometallics, 2013, 32, 1230-1238.    10.1021/om301011v

Electronic effects of triarylphosphines in metal-free hydrogen activation: a kinetic and computational study

Greb L, Tussing S, Schirmer B, Oña-Burgos P, Kaupmees K, Lokov M, Leito I, Grimme S, Paradies J.

Chem. Sci., 2013, 4, 2788-2796.    10.1039/C3SC50347J

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

Heterobimetallic Cuprates Consisting of a Redox-Switchable, Silicon-Based Metalloligand: Synthesis, Structures, and Electronic Properties

Styra S, González-Gallardo S, Armbruster F, Oña-Burgos P, Moos E, Vonderach M, Weis P, Hampe O, Grün A, Schmitt Y.

Chemistry -- A European Journal, 2013, 19, 8436--8446.    10.1002/chem.201300586

Homoleptic Tetrakis(silyl) Complexes of Pd0 and Pt0 Featuring Metal-Centred Heterocubane Structures: Evidence for the Existence of the Corresponding Mononuclear PdI and PtI Complexes

Armbruster F, Augenstein T, Oña-Burgos P, Breher F.

Chemistry -- A European Journal, 2013, 19, 17899--17906.    10.1002/chem.201303299

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

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