NUCLEAR MAGNETIC RESONANCE (NMR)
Scientific Supervisor: Yolanda Pérez
The primary role of the NMR Facility is to provide research support to IQAC staff and students; however, its services are available to anybody. Staff of the NMR Facility provide a range of consulting services, technical assistance and training.
Yolanda Pérez
Scientific Supervisor
yolanda.perez@iqac.csic.es
The Facility has the following lines of expertise:
- Small Molecule Analysis
- Structural Characterization
- Mixture Analysis/Diffusion NMR
- Quantitative Analysis
- Dynamics studies
- Protein and Peptide studies
- Structural studies
- Double/Triple resonance experiments for peptides/small proteins.
- Characterization of protein-small molecule interactions
- protein-observed experiments
- ligand-observed experiments
- Structural studies
- NMR spectra of cells, cell extracts, and metabolomics-by-NMR.
Routine analysis
Typical experiments, which are offered as examples of routine analysis, include:
- 1H NMR experiments, including basic processing and integration.
- 31P NMR, 13C NMR and 19F experiments.
- Simple 1H-1H and 1H-13C 2D experiments, such as COSY, NOESY, HSQC, HMBC, …
Advanced Studies
- Structure elucidation and quality control in synthetic chemistry by solution 1D/2D-NMR.
- Implementation of newly developed NMR methods
- NMR-based drug screening.
- NMR spectra of cells, cell extracts, and metabolomics-by-NMR.
- Diffusion experiments and DOSY.
- Double/Triple resonance experiments for peptides/small proteins.
Accessing our Services
- 24/7 access to NMR spectrometers and software (Routine Analysis)
- Collaborative research opportunities through Facility Staff (Advanced Studies)
- Facility staff will provide NMR service (data interpretations, recommendations) for a fee to any person or organization.
Available Equipment and Resources
Bruker Ascend 400 MHz (9.4 T field strength) with a room-temperature iProbe probe and SampleXPress 60-charger
This is the NMR system for automated homo and heteronuclear spectra acquisition. The spectrometer is equipped with an AVANCE NEO console, a room-temperature iProbe probe, a BCU-I for temperature control and a SampleXPress charger with 60 positions. The spectrometer uses TopSpin 4.1 software on a Linux Workstation.
This NMR system was purchased with financial support from FEDER EQC2018-004579-P grant.
Bruker AVANCEIIIHD 500 MHz (11.7440 T field strength) with TCI Cryoprobe and SampleXPressLite 18-charger.
This system is the NMR spectrometer of choice for more demanding samples and is highly suited for metabolomics studies, the study of complex biomolecules like small proteins, peptides and nucleic acids, and routine 1H and 13C NMR experiments on small molecules when tiny amounts of material are available. The spectrometer is equipped with a three-channel AVANCEIIIHD console, z-gradients (55 G/cm) and an inverse detection TCI (1H, 13C and 15N) cryoprobe, with 1H and 13C direct detection, 13C and 15N indirect-detection. The spectrometer uses Topspin 3.7 software on a Linux Workstation.
This NMR system was purchased with financial support from MINECO-FEDER CSIC13-4E-2076 grant.
The NMR Facility uses and supports a range of software applications for data processing and report preparation: TOPSPIN, MestRENova, MSpin, CCPN, Bruker Amix/BBIOREFCODE, ChemOffice, …
Publications
- Pseudopeptidic host adaptation in peptide recognition unveiled by ion mobility mass spectrometry-
Lucia Tapia, Yolanda Pérez, Jordi Solà, Santiago V. Luis, Ignacio Alfonso and Cristian Vicent
Analyst, 2022,147, 5546-5556
- Dynamic Combinatorial Optimization of In Vitro and In Vivo Heparin Antidotes-
Daniel Carbajo, Yolanda Pérez, Marta Guerra-Rebollo, Eva Prats, Jordi Bujons, and Ignacio Alfonso
J. Med. Chem. 2022, 65, 4865−4877
- pH‐Dependent Chloride Transport by Pseudopeptidic Cages for the Selective Killing of Cancer Cells in Acidic Microenvironments-
Tapia, L., Pérez, Y., Bolte, M., Casas, J., Solà, J., Quesada, R., Alfonso, I.
Angewandte Chemie - International Edition, 58 (36), pp. 12465-12468. 2019
- Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples-
Puig-Castellvi, F., Perez, Y., Piña, B. Tauler, R. and Alfonso, I.
Chem Commun. 54 (25), 3090-3093, 2018.
- Reversible Self-Assembly of Water-Soluble Gold (I) Complexes-
Aguiló, E., Moro, A..J., Gavara, R., Alfonso, I., Perez, Y., Zaccaria, F., Rodriguez, L.
Inorg Chem. 57(3), 1017-1028, 2018.
- Structural study of a new HIV‐1 entry inhibitor and interaction with the HIV‐1 fusion peptide in dodecylphosphocholine micelles-
Perez, Y., Gomara, M.J., Yuste, E., Gomez-Gutierrez, P., Perez, J.J, Haro, I. Chemistry-A European J. 23(48), 11703-11713, 2017.
- The Unique Domain Forms a Fuzzy Intramolecular Complex in Src Family Kinases-
Arbesu, M., Maffei, M., Cordeiro, T.N., Teixeira, J.M.C., Perez, Y., Bernado, P., Roche, S. , Pons, M. Structure 15, 630-640, 2017.
- Cationic peptides and Peptidomimetics bind glycosaminoglycans as potential Sema3A pathway inhibitors-
Corredor, M., Bonet, R., Moure, A., Domingo, C., Bujons, J., Alfonso, I., Perez, Y. and Messeguer, A. Biophys J. 110 (6), 1291-1303, 2016.
- Supramolecular protection from the enzymatic tyrosine phosphorylation in a polypeptide-
Faggi, E., Perez, Y., Luis, S.V. and Alfonso, I. Chem Commun. 52 (52), 8142-8145, 2016.
- Galacto configured N-aminoaziridines: a new type of irreversible inhibitor of β-galactosidases-
Alcaide, A., Trapero, A., Perez, Y. and Llebaria A.
Org & biomolec chem 13 (20), 5690-5697, 2015. - Conjugation of cell-penetrating peptides with poly (lactic-co-glycolic acid)-polyethylene glycol nanoparticles improves ocular drug delivery-
Vasconcelos, A., Vega, E., Perez, Y., Gomara, M.J., Garcia, M.L. and Haro, I. Int J Nanomedicine 10, 609-631, 2015.
- A cyclic GB virus C derived peptide with anti-HIV-1 activity targets the fusion peptide of HIV-1-
Galatola, R., Vasconcelos, A., Perez, Y., Cruz, A., Pujol, M., Alsina, M.A., Gomara, M.J. and Haro, I.
Eur J Med Chem. 2014 86, 589-604.
- Lipid binding by the Unique and SH3 domains of c-Src suggests a new regulatory mechanism-
Perez, Y., Maffei, M., Igea, A., Amata, I., Gairí, M., Nebreda, A.R., Bernadó, P. and Pons, M. Scientific reports 3, 1295, 2013.
- Lipid binding by disordered proteins-
Perez, Y., Maffei, M., Amata, I., Arbesu, M. and Pons, M. Protocol Exchange 10, 2013.
IQAC
Institut de Química Avançada de Catalunya
c/ Jordi Girona 18-26
08034 Barcelona - Spain
Ph: +34 93 400 61 00
Fax: +34 93 204 59 04