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Singular

Singular

U2-S02. Hapten design and synthesis

Hapten design and synthesis

Haptens are small molecules capable of eliciting an immune response when conjugated to a carrier protein. They serve as antigens for antibody production. The service designs and produces tailored haptens to match the target analyte, ensuring the desired features of the resulting antibody.

This process includes:

  • Selecting the most suitable position on a drug molecule to attach a linker, maximizing specificity, sensitivity, and immunogenicity of the immunogen
  • Performing total synthesis to create the hapten with a linker when the parent drug molecule lacks a functional group suitable for conjugation synthesis.
  • Designing and synthesizing the linker with the optimal length.

Customer benefits

Some specific advantages that customers gain by utilizing this service include:

  • Adaptation of haptens to meet specific customer needs.
  • Production of highly specific and  antibodies.
  • Added value in research and development by obtaining personalized immunological tools.
  • Essential for organizations involved in drug discovery, diagnostics, and therapy.

Target customer

Target customer Researchers, scientists, and professionals involved in research and development in various fields including food safety and environmental control, biomedicine, diagnostics, drug discovery, and therapeutic development.

Additional information

Selected references:

  • E. Montagut, J. Raya, M.-T. Martín Gómez, L. Vilaplana, B. Rodríguez-Urretavizcaya, M.-P. Marco. An Immunochemical Approach to detect the Quorum Sensing-Regulated Virulence Factor 2-Heptyl-4-Quinoline N-Oxide (HQNO) produced by Pseudomonas aeruginosa Clinical Isolates. Microbiol. Spect., 10(4), 1-12, 2022.
  • B. Rodriguez-Urretavizcaya, N. Pascual, C. Pastells, M. T. Martin-Gomez, Ll. Vilaplana, M.-P. Marco. Diagnostic and Stratification of Pseudomonas aeruginosa Infected Patients by Immunochemical Quantitative Determination of Pyocyanin from Clinical Bacterial Isolates. Frontiers in Cell. Infect. Microbiol., 11, 786929, 2021. DOI: 10.3389/fcimb.2021.786929.
  • J. Marrugo-Ramírez, M. Rodríguez-Núñez, M.-P Marco, M. Mir, J. Samitier. Kynurenic Acid Electrochemical Immunosensor: Blood-Based Diagnosis of Alzheimer’s Disease. Biosensors, 11(1), 20, 2021.
  • E. J. Montagut, Ll. Vilaplana, M.T. Martin-Gómez, M.-P. Marco. A High Throughput Immunochemical Method to Assess 2-Heptyl-4-Quinolone Quorum Sensing Molecule as Potential Biomarker. ACS Infect. Dis., 6(12), 3237-3246, 2020.
  • M. Broto, R. McCabe, R. Galve, M.-P. Marco. A high-specificity immunoassay for the therapeutic drug monitoring of ciclophosphamide. Analyst, 144, 5172-5178, 2019.
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U27-S01. Remote access to HPC

Remote access to HPC

The HPC service allows remote access to High Performance Computing, Massive Parallel Processing, Mass Storage and different software applications. Designed to meet the demands of projects requiring exceptional computational performance, our service provides users with the flexibility and power to address a wide variety of challenges. It responds to the increasing complexity of simulations carried out by the most advanced research projects.

Customer benefits

The “Remote Access to Infrastructure with Massively Parallel Processing in HPC” service offers our clients distinctive advantages that not only meet their requirements but also add significant value to their Research and Development projects. 

  • Exceptional Performance: We provide our clients with access to cutting-edge HPC infrastructure, ensuring exceptional computational performance. 
  • Flexibility for Various Applications: Our service is generic and highly adaptable, satisfying a wide variety of R&D applications. 
  • Elimination of Geographic Restrictions: By offering secure remote access to our infrastructure, we eliminate geographic limitations.

Essential Scenarios:

  • Cutting-edge Scientific Research: Our service is essential for projects that require significant computational power, such as detailed molecular dynamics simulations, biomedical and biochemical modeling, simulations of all types, etc. 
  • Development of High-Performance Algorithms: our service is crucial for testing and optimizing high-performance algorithms, ensuring efficient execution in production environments. 
  • Complex Data Analysis and Big Data: In projects that involve the analysis of large data sets, from genomic sequencing to artificial intelligence, our service allows for massively parallel processing, improving the speed and accuracy of the analysis.

Target customer

The service is designed to meet the specific needs of diverse user groups, allowing them to take full advantage of massively parallel processing capabilities. 

  • Scientific Researchers and Academics: We provide access to cutting-edge HPC infrastructure, allowing them to perform advanced simulations, complex modeling and data analysis at a scale that goes beyond the capabilities of conventional systems. 
  • High Performance Software Development Teams: Intensive algorithms and high-performance applications, we offer a scalable platform that facilitates extensive testing and optimization to ensure optimal performance. 
  • Biomedical Research Institutions: can leverage our infrastructure for the analysis of large data sets, detailed simulations and complex studies, driving significant advances in the understanding of diseases and the development of therapies. 
  • Artificial Intelligence and Machine Learning teams: can leverage our infrastructure for training complex models and analyzing massive data sets.

Additional information

The HPC service has more than 3260 cores and 5920 parallel processing threads, 26TB of RAM, 264TB NVMe and 400TB HDD of shared storage, all connected by a 100Gbps backbone network. In addition, we currently offer 251,392 CUDA cores, 720GB graphics memory, 1,179.42 peak FP16 TFLOPS, and 828.6 peak FP32 TFLOPS.

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U27-S02. Software installation on demand

Software installation on demand

This Unit offers an exceptional software installation service that is not present in our infrastructure. We study each case to try to find the best solution, as long as it fits the technical characteristics, both hardware and software of the Unit.

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U27-S03. Biomedical signals processing

Biomedical signals processing

In our continued commitment to providing advanced solutions in High-Performance Computing (HPC), we are proud to present our specialized service in “Biomedical Signal Processing”. This service harnesses the power of high-performance computing to facilitate the analysis and interpretation of biomedical signals, offering advanced solutions for a variety of clinical and research scenarios.
The HPC service allows remote access to High Performance Computing, Massive Parallel Processing, Mass Storage and different software applications. It responds to the increasing complexity of simulations carried out by the most advanced research projects.

Customer benefits

The “Biomedical Signal Processing” service offers our clients specific advantages by providing access to our advanced High-Performance Computing (HPC) infrastructure, adding significant value to your Research and Development (R&D) activities. Focusing on the critical scenarios in where our service becomes essential, we highlight the following advantages: 

  • Validation of Theoretical Models: We allow researchers to validate and adjust theoretical organ models through detailed simulations, using computing power to compare theoretical results with experimental data. 
  • Custom Algorithm Development: Researchers and scientists can leverage HPC infrastructure to develop and refine custom signal processing algorithms tailored to their specific research objectives. 
  • Analysis of Large Data Sets: For projects involving the analysis of large data sets of biomedical signals, we offer the processing power necessary to perform detailed evaluations and extract meaningful patterns.

Target customer

Access to our HPC infrastructure is designed to meet the needs of diverse user groups, allowing them to perform specialized calculations and experiments in the field of biomedical signal processing.

  • Researchers and Scientists: We offer biomedical engineering  researchers access to HPC resources to perform advanced simulations, validate theoretical models and explore new perspectives in the diagnosis and treatment of cardiac diseases.
  • Biomedical Algorithm Developers: For those focused on developing and refining specific signal processing algorithms, we provide the necessary infrastructure to implement and evaluate custom algorithms.
  • Healthcare Professionals and Biomedical Engineers: Healthcare professionals and biomedical engineers can use our HPC platform to analyze and process large signal data sets, improving efficiency in the analysis of clinical information and the development of advanced medical technologies.
  • Biomedical Technology Companies: We provide them with the ability to test and validate their products in simulated environments, optimizing the performance and precision of their solutions.

Additional information

The HPC service has more than 3260 cores and 5920 parallel processing threads, 26TB of RAM, 264TB NVMe and 400TB HDD of shared storage, all connected by a 100Gbps backbone network. In addition, we currently offer 251,392 CUDA cores, 720GB graphics memory, 1,179.42 peak FP16 TFLOPS, and 828.6 peak FP32 TFLOPS.

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U27-S04. Modeling of the functional behaviour of tissues and organs

Modeling of the functional behaviour of tissues and organs

In our continued commitment to providing advanced solutions in High-Performance Computing (HPC), we are pleased to introduce our “Modeling the Functional Behavior of Tissues and Organs” service. This service leverages the power of high-performance computing, massively parallel processing, mass storage and different software applications to provide detailed and accurate analysis of the functional dynamics of tissues and organs.

Customer benefits

Our service significantly reduces work times, moving simulation processes from weeks to days. Additionally, it enables the simulation of different scenarios and parameters simultaneously.

  • Precision and Reliability: Our High-Performance Computing (HPC)-based simulations provide an unmatched level of precision and reliability in modeling the behavior of tissues and organs. This ensures reliable results and high-quality data to inform critical research decisions. 
  • Effective Optimization: By addressing the complexities of biological processes, our service facilitates the optimization of intervention strategies. Organizations can make precise adjustments to treatments and procedures, reducing costs and improving the effectiveness of therapeutic approaches. 
  • Risk Reduction in Development: Through virtual simulations of medical scenarios, organizations can identify and mitigate risks before practical implementation. This is essential in Research and Development, where error reduction and continuous improvement are imperative.

Target customer

Our “Modeling of the Functional Behavior of Tissues and Organs” service is designed to meet the specific needs of various stakeholders engaged in Research and Development, offering solutions adapted to the particular demands of the following key audience:

  • Biomedical and Scientific Researchers: providing them with advanced tools to thoroughly understand the functional behavior of tissues and organs. We facilitate detailed analysis of complex data and simulation of relevant scenarios to drive significant advances in scientific knowledge.
  • Pharmaceutical and Biotechnology Companies: making it easier to obtain detailed information on the response of tissues to specific compounds, accelerating the development process and improving success rates in creating effective treatments.
  • Health Professionals and Clinicians: personalized medicine, facilitating the personalization of treatments, allowing health professionals to adapt interventions according to the individual characteristics of patients. This is particularly valuable in optimizing therapeutic protocols and improving clinical outcomes.
  • Academic Research Institutions: essential for academics and students engaged in the exploration and understanding of biological processes.

Additional information

The HPC service has more than 3260 cores and 5920 parallel processing threads, 26TB of RAM, 264TB NVMe and 400TB HDD of shared storage, all connected by a 100Gbps backbone network. In addition, we currently have 251,392 CUDA cores, 720GB graphics memory, 1,179.42 peak FP16 TFLOPS, and 828.6 peak FP32 TFLOPS.

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U25-S03. NMR spectrometer 400 MHz with HRMAS/CPMAS probes (Onsite&Remote) OUTSTANDING

NMR spectrometer 400 MHz with HRMAS/CPMAS probes (Onsite&Remote) OUTSTANDING

400 MHz: AVANCE III console, probes 4mm HRMAS BBI 1H/13C/31P/D, with Z-gradients, 4mm MAS VTN 1H/BB for solid-state, and BCU Xtreme unit for sample temperature control

Customer benefits

HRMAS allows for high-resolution NMR spectra of semi-solid and solid samples by spinning the sample at the magic angle, which minimizes broadening due to sample heterogeneity and anisotropic interactions. Also, potential for characterization of polymers, catalysts, porous materials, and nanomaterials, providing insights into molecular structure, dynamics, and interactions. CPMAS NMR is particularly useful for studying crystalline materials, including organic and inorganic compounds, minerals, and pharmaceuticals. It provides information about chemical composition, crystal structure, and molecular dynamics.

Target customer

Researchers or companies with needs to study solid or semisolid samples regarding structure, characterization, interactions or composition.

References

  • Jiménez-Xarrié E, et al. In vivo and ex vivo magnetic resonance spectroscopy of the infarct and the subventricular zone in experimental stroke. J Cereb Blood Flow Metab. 2015 May;35(5):828-34. doi: 10.1038/jcbfm.2014.257. Epub 2015 Jan 21. PMID: 25605287; PMCID: PMC4420856.
  • Delgado-Goñi T, et al. Assessment of a 1H high-resolution magic angle spinning NMR spectroscopy procedure for free sugars quantification in intact plant tissue. Planta. 2013 Aug;238(2):397-413. doi: 10.1007/s00425-013-1924-y. Epub 2013 Jul 4. PMID: 23824526.
  • Martín-Sitjar J, et al. Influence of the spinning rate in the HR-MAS pattern of mobile lipids in C6 glioma cells and in artificial oil bodies. MAGMA. 2012 Dec;25(6):487-96. doi: 10.1007/s10334-012-0327-6. Epub 2012 Jul 20. PMID: 23011574.
  • Valverde-Saubí D, et al. Short-term temperature effect on the HRMAS spectra of human brain tumor biopsies and their pattern recognition analysis. MAGMA. 2010 Sep;23(4):203-15. doi: 10.1007/s10334-010-0218-7. Epub 2010 Jun 13. PMID: 20549297.
  • Simões RV, et al. 1H-MRSI pattern perturbation in a mouse glioma: the effects of acute hyperglycemia and moderate hypothermia. NMR Biomed. 2010 Jan;23(1):23-33. doi: 10.1002/nbm.1421. PMID: 19670263.
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U25-S05. Preclinical horizontal spectrometer Biospec 7T (Onsite&Remote) OUTSTANDING

Preclinical horizontal spectrometer Biospec 7T (Onsite&Remote) OUTSTANDING

7T Bruker BioSpec 70/30 USR MR system (Bruker BioSpin GmbH, Karlsruhe, Germany) equipped with a BGA12 mini-imaging gradient insert (maximum amplitude: 400 mT/m and slew rate: 5500 T/m/s). Capability for magnetic resonance imaging and spectroscopy of small animals (e.g. mouse, rat) and studies of model solutions (e.g. new contrast agents). Also capabilities for advanced imaging techniques such as diffusion and perfusion weighted images and fractional anisotropy. Coupled with anaesthetic equipment and vital signs monitoring for in vivo experiments.

Customer benefits

Noninvasive studies of anatomy and biochemical environment depending on the organ. Studies of physiological and pathological anatomy changes with a high resolution level. Magnetic resonance is not based on ionizing radiation and can be performed as many times as needed. Assessment of new therapeutic agents efficacy and novel contrast agents potential. T1, T2 and T2* maps measurement.

Target customer

Research groups or companies working with preclinical models, novel therapeutic or contrast agents, characterization of novel preclinical models based in cancer, inflammatory or neurological diseases.

References

  • Zhang S, et al. Metal-Free Radical Dendrimers as MRI Contrast Agents for Glioblastoma Diagnosis: Ex Vivo and In Vivo Approaches. Biomacromolecules. 2022 Jul 11;23(7):2767-2777. doi: 10.1021/acs.biomac.2c00088. Epub 2022 Jun 24. PMID: 35749573; PMCID: PMC9277593.
  • García-Pardo J, et al. Bioinspired Theranostic Coordination Polymer Nanoparticles for Intranasal Dopamine Replacement in Parkinson’s Disease. ACS Nano. 2021 May 25;15(5):8592-8609. doi: 10.1021/acsnano.1c00453. Epub 2021 Apr 22. PMID: 33885286; PMCID: PMC8558863.
  • Wu S, et al. Anti-tumour immune response in GL261 glioblastoma generated by Temozolomide Immune-Enhancing Metronomic Schedule monitored with MRSI-based nosological images. NMR Biomed. 2020 Apr;33(4):e4229. doi: 10.1002/nbm.4229. Epub 2020 Jan 11. PMID: 31926117.
  • Güell-Bosch J, et al. Progression of Alzheimer’s disease and effect of scFv-h3D6 immunotherapy in the 3xTg-AD mouse model: An in vivo longitudinal study using Magnetic Resonance Imaging and Spectroscopy. NMR Biomed. 2020 May;33(5):e4263. doi: 10.1002/nbm.4263. Epub 2020 Feb 17. PMID: 32067292.
  • Suárez-García S, et al. Dual T1/ T2 Nanoscale Coordination Polymers as Novel Contrast Agents for MRI: A Preclinical Study for Brain Tumor. ACS Appl Mater Interfaces. 2018 Nov 14;10(45):38819-38832. doi: 10.1021/acsami.8b15594. Epub 2018 Nov 1. PMID: 30351897.
  • Lope-Piedrafita, S. (2018). Diffusion Tensor Imaging (DTI). In: García Martín, M., López Larrubia, P. (eds) Preclinical MRI. Methods in Molecular Biology, vol 1718. Humana Press, New York, NY. doi: 10.1007/978-1-4939-7531-0_7
  • Arias-Ramos N, et al. Metabolomics of Therapy Response in Preclinical Glioblastoma: A Multi-Slice MRSI-Based Volumetric Analysis for Noninvasive Assessment of Temozolomide Treatment. Metabolites. 2017 May 18;7(2):20. doi: 10.3390/metabo7020020. PMID: 28524099; PMCID: PMC5487991.
  • Jiménez-Xarrié E, et al. Brain metabolic pattern analysis using a magnetic resonance spectra classification software in experimental stroke. BMC Neurosci. 2017 Jan 13;18(1):13. doi: 10.1186/s12868-016-0328-x. PMID: 28086802; PMCID: PMC5237280.
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U25-S06. Dynamic nuclear polarizer HyperSense® (Onsite&Remote) OUTSTANDING

Dynamic nuclear polarizer HyperSense® (Onsite&Remote) OUTSTANDING

Sheltered magnet of 3.35T. Integrated microwave source Elva-1™ VCOM-10, frequency ≈ 94 GHz. BOC Edwards™ E2M80 Series Vacuum Pump. Sample dissolution and automatic transfer system from polarizer to Bruker 600 MHz spectrometer

Customer benefits

DNP significantly boosts the sensitivity of NMR experiments, enabling the detection of nuclei present at low concentrations or in low abundance compared to conventional NMR techniques. It can be used in metabolomics studies to analyze metabolic pathways, identify metabolites, and investigate metabolic fluxes in biological samples such as tissues, cells, and biofluids. Provides real-time monitoring of chemical reactions and kinetics, providing valuable information about reaction mechanisms, intermediate species, and reaction rates.

Target customer

Researchers or companies with needs to enhance sensitivity and elucidate metabolic pathways or changes occurred during therapy, for example, changes in the glycolytic metabolism within tumor cells. Polarized samples can be used for further in vitro or in vivo experiments depending on the information needed.

References

  • Monteagudo E, Virgili A, Parella T, Pérez-Trujillo M. Chiral Recognition by Dissolution DNP NMR Spectroscopy of 13C-Labeled dl-Methionine. Anal Chem. 2017 May 2;89(9):4939-4944. doi: 10.1021/acs.analchem.7b00156. Epub 2017 Apr 21. PMID: 28394124.
  • Chavarria L, Romero-Giménez J, Monteagudo E, Lope-Piedrafita S, Cordoba J. Real-time assessment of ¹³C metabolism reveals an early lactate increase in the brain of rats with acute liver failure. NMR Biomed. 2015 Jan;28(1):17-23. doi: 10.1002/nbm.3226. Epub 2014 Oct 10. PMID: 25303736.
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U25-S07. Focused Microwave Fixation System (Onsite&Remote) OUTSTANDING

Focused Microwave Fixation System (Onsite&Remote) OUTSTANDING

Muromachi Focused Microwave Fixation System 5KW-6402C. The system is configured to mouse (TAW-174A Applicator Head for WJM-28 Mouse Holder). Capable of fast euthanization (miliseconds range) of mice, and also to halt postmortem metabolism in cell suspensions and biopsy samples, allowing further examination without the need of low temperatures to avoid postmortem changes.

Customer benefits

Halting postmortem metabolism may allow for different long-term studies such as 13C NMR (natural abundance), 2D NMR acquisitions, and also to use physiological temperatures without any postmortem deterioration. Still, the halted sample is still valid for histopathological examination if needed.

Target customer

Customers that work with systems subjected to fast postmortem changes which could make detailed studies challenging without the use of extreme, non-physiological conditions.

References

  • Delgado-Goñi T, Campo S, Martín-Sitjar J, Cabañas ME, San Segundo B, Arús C. Assessment of a 1H high-resolution magic angle spinning NMR spectroscopy procedure for free sugars quantification in intact plant tissue. Planta. 2013 Aug;238(2):397-413. doi: 10.1007/s00425-013-1924-y. Epub 2013 Jul 4. PMID: 23824526.
  • Davila M, Candiota AP, Pumarola M, Arus C. Minimization of spectral pattern changes during HRMAS experiments at 37 degrees celsius by prior focused microwave irradiation. MAGMA. 2012 Oct;25(5):401-10. doi: 10.1007/s10334-012-0303-1. PMID: 22286777.
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U25-S09. Access to specific software and database (Remote) OUTSTANDING

Access to specific software and database (Remote) OUTSTANDING

Possibility of access to specific software developed in-house (postprocessing of MR spectroscopy data, conversion of spectroscopic data to canonical format, software for automated classification of MR spectroscopic data, decision support systems), provided disclaimer and agreement are signed. Databases with patient MR imaging and spectroscopic data, as well as epidemiological data from two multicentric european projects.

Customer benefits

Curated databases with a high quality level data for further studies. Software no currently available in public repositories. Interaction with researchers specialized in MR data.

Target customer

Customers willing to apply automated classification to their MR spectroscopic data, or willing to apply their methods to different clinically sound datasets.

References

  • Ungan G, et al. Using Single-Voxel Magnetic Resonance Spectroscopy Data Acquired at 1.5T to Classify Multivoxel Data at 3T: A Proof-of-Concept Study. Cancers (Basel). 2023 Jul 21;15(14):3709. doi: 10.3390/cancers15143709. PMID: 37509372; PMCID: PMC10377805.
  • Hernández-Villegas Y, et al. Extraction of artefactual MRS patterns from a large database using non-negative matrix factorization. NMR Biomed. 2022 Apr;35(4):e4193. doi: 10.1002/nbm.4193. Epub 2019 Dec 2. PMID: 31793715.
  • Hellström J, et al. Evaluation of the INTERPRET decision-support system: can it improve the diagnostic value of magnetic resonance spectroscopy of the brain? Neuroradiology. 2019 Jan;61(1):43-53. doi: 10.1007/s00234-018-2129-7. Epub 2018 Nov 15. PMID: 30443796; PMCID: PMC6336758.
  • Julià-Sapé M, et al. Classification of brain tumours from MR spectra: the INTERPRET collaboration and its outcomes. NMR Biomed. 2016 Mar;29(3):371. doi: 10.1002/nbm.3483. Epub 2015 Dec 22. Erratum for: NMR Biomed. 2015 Dec;28(12):1772-87. Tate, Rosemary A [Corrected to Tate, A Rosemary]. PMID: 26915795.
  • Mocioiu V, et al. From raw data to data-analysis for magnetic resonance spectroscopy–the missing link: jMRUI2XML. BMC Bioinformatics. 2015 Nov 9;16:378. doi: 10.1186/s12859-015-0796-5. PMID: 26552737; PMCID: PMC4640235.
  • Ortega-Martorell S, et al. SpectraClassifier 1.0: a user friendly, automated MRS-based classifier-development system. BMC Bioinformatics. 2010 Feb 24;11:106. doi: 10.1186/1471-2105-11-106. PMID: 20181285; PMCID: PMC2846905.
  • Pérez-Ruiz A, et al. The INTERPRET Decision-Support System version 3.0 for evaluation of Magnetic Resonance Spectroscopy data from human brain tumours and other abnormal brain masses. BMC Bioinformatics. 2010 Nov 29;11:581. doi: 10.1186/1471-2105-11-581. PMID: 21114820; PMCID: PMC3004884.
  • Luts J, et al. A combined MRI and MRSI based multiclass system for brain tumour recognition using LS-SVMs with class probabilities and feature selection. Artif Intell Med. 2007 Jun;40(2):87-102. doi: 10.1016/j.artmed.2007.02.002. Epub 2007 Apr 26. PMID: 17466495.
  • Julià-Sapé M, et al. A multi-centre, web-accessible and quality control-checked database of in vivo MR spectra of brain tumour patients. MAGMA. 2006 Feb;19(1):22-33. doi: 10.1007/s10334-005-0023-x. Epub 2006 Feb 14. PMID: 16477436.

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