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Molecules
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Emerging Horizons of Hyperpolarization in Chemistry and Biomedicine
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Emerging Horizons of Hyperpolarization in Chemistry and Biomedicine

A special issue of Molecules (ISSN 1420-3049).

Deadline for manuscript submissions: 31 August 2026 | Viewed by 4208

Special Issue Editor

Dr. Roman Shchepin

E-Mail Website
Guest Editor
South Dakota School of Mines & Technology, Rapid City, SD 57701, USA
Interests: parahydrogen-related hyperpolarization; organic synthesis, particularly isotopic enrichment with stable magnetic isotopes; instrumentation development for hyperpolarization NMR, NQR, and other related areas; drought and salinity mitigation

Special Issue Information

Dear Colleagues,

Hyperpolarization techniques provide a dramatic increase in the sensitivity of nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) and have widespread applications in chemistry and biomedical imaging.

This Special Issue will be focused on research that improves accessibility, decreases the entrance barrier, and further expands horizons of hyperpolarization’s implementation in chemistry and biomedicine. Applications of hyperpolarization in chemistry and biomedicine, and novel synthetic methodologies related to any hyperpolarization techniques, are welcome.

Dr. Roman Shchepin
Guest Editor

Manuscript Submission Information

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • hyperpolarization
  • NMR
  • MRI
  • low cost
  • SABRE
  • PHIP
  • d-DNP
  • isotopic enrichment

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Published Papers (3 papers)

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Research

24 pages, 3795 KB  
Article
A Controlled System for Parahydrogen Hyperpolarization Experiments
by Lorenzo Franco, Federico Floreani, Salvatore Mamone, Ahmed Mohammed Faramawy, Marco Ruzzi, Cristina Tubaro and Gabriele Stevanato
Molecules 2025, 30(21), 4299; https://doi.org/10.3390/molecules30214299 - 5 Nov 2025
Viewed by 1016
Abstract
Parahydrogen-induced hyperpolarization (PHIP), introduced nearly four decades ago, provides an elegant solution to one of the fundamental limitations of nuclear magnetic resonance (NMR)—its notoriously low sensitivity. By converting the spin order of parahydrogen into nuclear spin polarization, NMR signals can be boosted by [...] Read more.
Parahydrogen-induced hyperpolarization (PHIP), introduced nearly four decades ago, provides an elegant solution to one of the fundamental limitations of nuclear magnetic resonance (NMR)—its notoriously low sensitivity. By converting the spin order of parahydrogen into nuclear spin polarization, NMR signals can be boosted by several orders of magnitude. Here we present a portable, compact, and cost-effective setup that brings PHIP and Signal Amplification by Reversible Exchange (SABRE) experiments within easy reach, operating seamlessly across ultra-low-field (0–10 μT) and high-field (>1 T) conditions at 50% parahydrogen enrichment. The system provides precise control over bubbling pressure, temperature, and gas flow, enabling systematic studies of how these parameters shape hyperpolarization performance. Using the benchmark Chloro(1,5-cyclooctadiene)[1,3-bis(2,4,6-trimethylphenyl)imidazole-2-ylidene]iridium(I) (Ir–IMes) catalyst, we explore the catalyst activation time and response to parahydrogen flow and pressure. Polarization transfer experiments from hydrides to [1-13C]pyruvate leading to the estimation of heteronuclear J-couplings are also presented. We further demonstrate the use of Chloro(1,5-cyclooctadiene)[1,3-bis(2,6-diisopropylphenyl)imidazolidin-2-ylidene]iridium(I) (Ir–SIPr), a recently introduced catalyst that can also be used for pyruvate hyperpolarization. The proposed design is robust, reproducible, and easy to implement in any laboratory, widening the route to explore and expand the capabilities of parahydrogen-based hyperpolarization. Full article
(This article belongs to the Special Issue Emerging Horizons of Hyperpolarization in Chemistry and Biomedicine)
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13 pages, 4146 KB  
Article
Hyperpolarized Carbon-13 Metabolic Imaging Differentiates Distinctive Molecular Phenotypes in Diffuse Midline Gliomas
by Ilwoo Park, Rintaro Hashizume and Joanna Phillips
Molecules 2025, 30(21), 4175; https://doi.org/10.3390/molecules30214175 - 24 Oct 2025
Viewed by 1059
Abstract
Despite a specific histone mutation defining the unique genetic makeup, diffuse midline gliomas are heterogeneous tumors with a wide range of morphologic and molecular spectrum. We investigated the feasibility of using hyperpolarized carbon-13(13C) MR metabolic imaging to differentiate distinctive molecular features [...] Read more.
Despite a specific histone mutation defining the unique genetic makeup, diffuse midline gliomas are heterogeneous tumors with a wide range of morphologic and molecular spectrum. We investigated the feasibility of using hyperpolarized carbon-13(13C) MR metabolic imaging to differentiate distinctive molecular features from two H3K27M-mutant, biopsy-originated diffuse midline glioma xenografts. 13C MR metabolic imaging data were acquired on a 3T scanner from 12 rats that had been implanted with SF8628 or SF7761 diffuse midline glioma cells in brainstem, following injection of hyperpolarized [1-13C]pyruvate. Despite the two tumors’ similar appearance of T2-hyperintensity throughout the cerebellum and pons without contrast enhancement, 13C metabolic imaging data revealed that SF8627 had significantly higher ratios of lactate to pyruvate, lactate to total carbon, and normalized lactate than SF7761. Elevated lactate levels in SF8628 were associated with large amounts of lactate dehydrogenase (LDH)-A and carbonic anhydrase-IX staining in SF8628 compared to SF7761, which implied that the highly hypoxic condition in SF8628 appeared to contribute to the high level of LDH-A enzyme activity, which, in turn, induced the large conversion from hyperpolarized pyruvate to lactate. Our findings suggest that this advanced metabolic imaging technique may be used for the noninvasive characterization of molecular hypoxia and lactate dehydrogenase-A activity in these pediatric brainstem gliomas. Full article
(This article belongs to the Special Issue Emerging Horizons of Hyperpolarization in Chemistry and Biomedicine)
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13 pages, 1624 KB  
Article
SABRE Ir-IMes Catalysis for the Masses
by Izabelle Smith, Noah Terkildsen, Zachary Bender, Abubakar Abdurraheem, Shiraz Nantogma, Anna Samoilenko, Joseph Gyesi, Larisa M. Kovtunova, Oleg G. Salnikov, Igor V. Koptyug, Raphael Kircher, Danila A. Barskiy, Eduard Y. Chekmenev and Roman V. Shchepin
Molecules 2025, 30(18), 3837; https://doi.org/10.3390/molecules30183837 - 22 Sep 2025
Cited by 3 | Viewed by 1616
Abstract
The Signal Amplification By Reversible Exchange (SABRE) technique provides enhancement of Nuclear Magnetic Resonance (NMR) signals up to several orders of magnitude using chemical exchange of a substrate and parahydrogen on an iridium complex. Therefore, the availability of such a catalytic complex to [...] Read more.
The Signal Amplification By Reversible Exchange (SABRE) technique provides enhancement of Nuclear Magnetic Resonance (NMR) signals up to several orders of magnitude using chemical exchange of a substrate and parahydrogen on an iridium complex. Therefore, the availability of such a catalytic complex to a broader community is an absolutely vital step for dissemination of the groundbreaking SABRE methodology. The most common SABRE catalyst, which is activated in situ, is based on Ir-IMes system (IMes = 1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene). Earlier approaches for the synthesis of this catalyst often relied on specialized equipment and were limited to a comparatively small scale. This, in turn, increased the barrier of entry for new scientists to the area of SABRE hyperpolarization. Here, we present a robust, inexpensive, and easy to reproduce synthetic procedure for the preparation of this SABRE catalyst, which does not require specialized inert atmosphere equipment like a glove box or Schlenk line. The synthesis was validated on the scale of several grams vs. tens of milligrams scale in the reported approaches. The resulting SABRE catalyst, [Ir(IMes)(COD)Cl], was activated in situ and further evaluated in hyperpolarization experiments resulting in signal enhancements comparable to (or higher than) those for the catalyst prepared using Schlenk line equipment. Full article
(This article belongs to the Special Issue Emerging Horizons of Hyperpolarization in Chemistry and Biomedicine)
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