Román Picazo‐Frutos

ORCID: 0000-0002-6190-1975
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About
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Research Areas
  • Advanced NMR Techniques and Applications
  • Atomic and Subatomic Physics Research
  • Solid-state spectroscopy and crystallography
  • NMR spectroscopy and applications
  • Advanced MRI Techniques and Applications
  • Electron Spin Resonance Studies
  • Quantum, superfluid, helium dynamics
  • Inorganic Fluorides and Related Compounds
  • Quantum optics and atomic interactions
  • Photoreceptor and optogenetics research
  • Magneto-Optical Properties and Applications

Johannes Gutenberg University Mainz
2019-2025

Helmholtz Institute Mainz
2019-2025

GSI Helmholtz Centre for Heavy Ion Research
2020-2025

Czech Academy of Sciences, Institute of Physics
2024

University of Applied Sciences Mainz
2021

We present a versatile method for the preparation of hyperpolarized [1-13C]fumarate as contrast agent preclinical in vivo MRI, using parahydrogen-induced polarization (PHIP). To benchmark this process, we compared prototype PHIP polarizer to state-of-the-art dissolution dynamic nuclear (d-DNP) system. found comparable polarization, volume, and concentration levels prepared solutions, while effort is significantly lower which can provide dose every 10 min, opposed around 90 min d-DNP systems....

10.1021/jacs.2c13830 article EN Journal of the American Chemical Society 2023-03-01

As a complement to conventional high-field nuclear magnetic resonance (NMR), zero- and ultralow-field (ZULF) NMR has important applications in chemical analysis fundamental physics. Breakthroughs this field are being thwarted part by intrinsic susceptibility noise. This study uses two-channel atomic magnetometer eliminate common-mode approach could promote the engineering of portable ZULF-NMR system, provide sensitive method probe frontiers physics, such as exotic spin-dependent interactions...

10.1103/physrevapplied.11.024005 article EN Physical Review Applied 2019-02-04

We demonstrate that heterogeneous/biphasic chemical reactions can be monitored with high spectroscopic resolution using zero-field nuclear magnetic resonance spectroscopy. This is possible because susceptibility broadening negligible at ultralow fields. show the two-step hydrogenation of dimethyl acetylenedicarboxylate para-enriched hydrogen gas in conventional glass NMR tubes, as well a titanium tube. The low frequency signals ensure there no significant signal attenuation arising from...

10.1002/anie.202006266 article EN cc-by-nc Angewandte Chemie International Edition 2020-06-08

The field of magnetic resonance imaging with hyperpolarized contrast agents is rapidly expanding, and parahydrogen-induced polarization (PHIP) emerging as an inexpensive easy-to-implement method for generating the required biomolecules. Hydrogenative PHIP delivers proton spin order to a substrate via chemical addition H2 in spin-singlet state, but prior it typically necessary transfer heteronucleus (usually 13C) molecule. Adiabatic ultralow manipulations can be used induce transfer, this...

10.1039/d0cp06581a article EN cc-by Physical Chemistry Chemical Physics 2021-01-01

Zero- to ultralow-field nuclear magnetic resonance (ZULF NMR) is a rapidly developing form of spectroscopy that provides rich spectroscopic information in the absence large fields. However, signal acquisition still requires mechanism for generating bulk moment detection, and currently used methods only apply limited pool chemicals or come at prohibitively high cost. We demonstrate parahydrogen-based SABRE (signal amplification by reversible exchange)-Relay method can be as more general means...

10.1126/sciadv.abp9242 article EN cc-by-nc Science Advances 2022-07-20

Although reliable rechargeable batteries represent a key transformative technology for electric vehicles, portable electronics, and renewable energy, there are few nondestructive diagnostic techniques compatible with realistic commercial cell enclosures. Many battery failures result from the loss or chemical degradation of electrolyte. In this work, we present measurements through enclosures that allow quantification electrolyte amount composition. The study employs instrumentation developed...

10.26434/chemrxiv-2024-32xj9-v3 preprint EN cc-by-nc-nd 2025-01-02

Zero- to ultralow-field (ZULF) nuclear magnetic resonance (NMR) provides ac- cess untruncated spin-spin interactions and—with its simplified instrumentation demands—emerges as a promising tool for chemical fingerprinting and fundamental physics. However, ZULF NMR J-spectra typically suffer from poor signal-to-noise ra- tios (SNRs) due the low natural abundance of many heteronuclei. In this work we employ hyperpolarization via Signal Amplification by Reversible Exchange (SABRE) various...

10.26434/chemrxiv-2025-h53bc preprint EN cc-by 2025-02-18

Zero- to ultralow-field nuclear magnetic resonance (ZULF NMR) allows molecular structure elucidation via measurement of electron-mediated spin-spin J-couplings. This study examines zero-field J-spectra from molecules with quadrupolar nuclei, exemplified by solutions various isotopologues ammonium cations. The spectra reveal differences between upon extracting precise J-coupling values pulse-acquire measurements. A primary isotope effect, △J=γ14N/γ15NJ15NH-J14NH≈-58 mHz, is deduced analysis...

10.1038/s41467-024-48390-2 article EN cc-by Nature Communications 2024-05-27

We demonstrate that enzyme-catalyzed reactions can be observed in zero- and low-field NMR experiments by combining recent advances parahydrogen-based hyperpolarization methods with state-of-the-art magnetometry. Specifically, we investigated two model biological processes: the conversion of fumarate into malate, which is used vivo as a marker cell necrosis, pyruvate lactate, most widely studied metabolic process hyperpolarization-enhanced imaging. In addition to this, constructed...

10.1021/acs.analchem.3c02087 article EN cc-by-nc-nd Analytical Chemistry 2023-12-04

Rechargeable batteries represent a key transformative technology for electric vehicles, portable electronics, and renewable energy. Despite enormous developments in battery research, there are few nondestructive diagnostic techniques compatible with realistic commercial cell enclosures. Many failures result from the loss or chemical degradation of electrolyte. Here we show measurements through enclosures that allow quantification electrolyte amount, composition, potentially degradation. This...

10.26434/chemrxiv-2024-32xj9 preprint EN cc-by-nc-nd 2024-08-13

Zero- to ultralow-field nuclear magnetic resonance is a modality of experiment which does not require strong superconducting magnets. Contrary conventional high-field resonance, it has the advantage allowing high-resolution detection magnetism through metal as well within heterogeneous media. To achieve high sensitivity, common couple zero-field with hyperpolarization techniques. date, most technique parahydrogen-induced polarization, only compatible small number compounds. In this article,...

10.1021/acs.analchem.2c02649 article EN Analytical Chemistry 2022-12-23

Photochemically induced dynamic nuclear polarization (photo-CIDNP) enables spin ordering by irradiating samples with light. Polarized spins are conventionally detected via high-field chemical-shift-resolved NMR (above 0.1 T). In this Letter, we demonstrate in situ low-field photo-CIDNP measurements using a magnetically shielded fast-field-cycling setup detecting Larmor precession atomic magnetometers. For solutions comprising mM concentrations of the photochemically polarized molecules,...

10.1021/acs.jpclett.3c01310 article EN The Journal of Physical Chemistry Letters 2023-07-24

10.31857/s0044451024100134 article EN Журнал Экспериментальной и Теоретической Физики 2024-11-01

We show that catalyst-free aqueous solutions of hyperpolarized [1- 13 C]succinate can be produced using parahydrogen-induced polarization (PHIP) and a combination homogeneous heterogeneous catalytic hydrogenation reactions.

10.1039/d3cc01803b article EN cc-by-nc Chemical Communications 2023-01-01

Abstract We demonstrate that heterogeneous/biphasic chemical reactions can be monitored with high spectroscopic resolution using zero‐field nuclear magnetic resonance spectroscopy. This is possible because susceptibility broadening negligible at ultralow fields. show the two‐step hydrogenation of dimethyl acetylenedicarboxylate para‐enriched hydrogen gas in conventional glass NMR tubes, as well a titanium tube. The low frequency signals ensure there no significant signal attenuation arising...

10.1002/ange.202006266 article EN cc-by-nc Angewandte Chemie 2020-06-08

Zero- to ultralow-field nuclear magnetic resonance (ZULF NMR) is a rapidly developing form of spectroscopy that drastically reduces the size and expense portable devices with NMR capabilities. However, signal acquisition still requires mechanism for orienting spins (e.g., generating bulk moment detection), currently employed methods only apply limited pool chemicals or come at prohibitively high cost. Here, we demonstrate parahydrogen-based SABRE-relay method (SABRE = Signal Amplification by...

10.26434/chemrxiv-2022-1njs9 preprint EN cc-by-nc-nd 2022-03-09

Although reliable rechargeable batteries represent a key transformative technology for electric vehicles, portable electronics, and renewable energy, there are few nondestructive diagnostic techniques compatible with realistic commercial cell enclosures. Many battery failures result from the loss or chemical degradation of electrolyte. In this work, we present measurements through enclosures that allow quantification electrolyte amount composition. The study employs instrumentation developed...

10.26434/chemrxiv-2024-32xj9-v2 preprint EN cc-by-nc-nd 2024-12-26

Photochemically induced dynamic nuclear polarization (photo-CIDNP) enables spin ordering by irradiating samples with light. Polarized spins are conventionally detected via high-field chemical shift-resolved NMR (above 0.1 T), however, of particular importance CIDNP processes occurring at relatively low fields (<50 mT). In this paper, we demonstrate in situ low-field photo-CIDNP measurements using shielded fast-field-cycling combined audio-frequency detection Larmor precession atomic...

10.26434/chemrxiv-2023-zhcvp preprint EN cc-by-nc 2023-04-13

Zero- to ultralow-field nuclear magnetic resonance is a modality of experiment which does not require strong superconducting magnets. Contrary conventional high-field resonance, it has the advantage allowing high resolution detection magnetism through metal as well within heterogeneous media. To achieve sensitivity, common couple zero-field with hyperpolarization techniques. date, most technique parahydrogen-induced polarization, only compatible small number compounds. In this article, we...

10.26434/chemrxiv-2022-f8t03-v2 preprint EN cc-by 2022-06-14

Zero- to ultralow-field nuclear magnetic resonance (ZULF NMR) is a powerful version of NMR that allows studying molecules and their transformations in the regime dominated by intrinsic spin-spin interactions. While spin dynamics at zero field can be probed indirectly - via shuttling sample underwent evolution high-field spectrometer for detection J-spectra also measured directly using non-inductive sensors, example, atomic magnetometers. To date, no zero-field featuring coupling quadrupolar...

10.48550/arxiv.2011.05618 preprint EN cc-by-nc-nd arXiv (Cornell University) 2020-01-01

Zero- to ultralow-field nuclear magnetic resonance is a modality of experiment which does not require strong superconducting magnets. Contrary conventional high-field resonance, it has the advantage allowing high resolution detection magnetism through metal as well within heterogeneous media. To achieve sensitivity, common couple zero-field with hyperpolarization techniques. date, most technique parahydrogen induced polarization, only compatible small number compounds. In this article, we...

10.26434/chemrxiv-2022-f8t03 preprint EN cc-by 2022-02-16

State-of-the-art magnetic resonance imaging uses hyperpolarized molecules to track metabolism in vivo, but large superconducting magnets are required, and the strong fields largely preclude measurement presence of conductive materials magnify problems susceptibility inhomogeneity. Operating at zero low field circumvents these limitations, until now has not been possible due limited sensitivity. We show that zero- low-field nuclear can be used for probing two important metabolic reactions:...

10.48550/arxiv.2205.12380 preprint EN cc-by arXiv (Cornell University) 2022-01-01

We show that catalyst-free aqueous solutions of hyperpolarized [1-13C]succinate can be produced using parahydrogen-induced polarization (PHIP) and a combination homogeneous heterogeneous catalytic hydrogenation reactions. generate [1-13C]fumarate at 23% 13C via PHIP with ruthenium catalyst, subsequently remove the toxic catalyst reaction side products purification procedure. Following this, we perform second to convert fumarate into succinate solid Pd/Al2O3 catalyst. The is filtered off...

10.26434/chemrxiv-2023-lvv6m preprint EN cc-by-nc 2023-04-21

The combination of a powerful and broadly applicable nuclear hyperpolarization technique with emerging (near-)zero-field modalities offer novel opportunities in broad range magnetic resonance spectroscopy imaging applications, including biomedical diagnostics, monitoring catalytic reactions within metal reactors many others. These are discussed along roadmap for future developments.

10.48550/arxiv.2307.06973 preprint EN cc-by arXiv (Cornell University) 2023-01-01
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