000306517 001__ 306517
000306517 005__ 20251212125553.0
000306517 0247_ $$2doi$$a10.1021/acs.jpcb.5c05015
000306517 0247_ $$2pmid$$apmid:41273337
000306517 0247_ $$2ISSN$$a1520-6106
000306517 0247_ $$2ISSN$$a1520-5207
000306517 037__ $$aDKFZ-2025-02582
000306517 041__ $$aEnglish
000306517 082__ $$a530
000306517 1001_ $$00000-0002-9475-0851$$aAdelabu, Isaiah$$b0
000306517 245__ $$aMultidimensional pH-Temperature Mapping of SABRE-SHEATH 13C Hyperpolarization of [1-13C]Pyruvate.
000306517 260__ $$aWashington, DC$$bAmerical Chemical Society$$c2025
000306517 3367_ $$2DRIVER$$aarticle
000306517 3367_ $$2DataCite$$aOutput Types/Journal article
000306517 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1765540520_396855
000306517 3367_ $$2BibTeX$$aARTICLE
000306517 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000306517 3367_ $$00$$2EndNote$$aJournal Article
000306517 500__ $$aJ. Phys. Chem. B 2025, 129, 12401−12409
000306517 520__ $$aHyperpolarized [1-13C]pyruvate has emerged as a next-generation molecular probe for in vivo metabolic flux imaging in deep tissue. This molecular contrast agent is now under evaluation in over 50 clinical trials, according to clinicaltrials.gov. Hyperpolarized [1-13C]pyruvate is produced through dissolution dynamic nuclear polarization (d-DNP) for clinical research use. This remarkable hyperpolarization technique is regarded as expensive (>2 M equipment cost) and slow (1 h production). One alternative hyperpolarization technique called Signal Amplification By Reversible Exchange (SABRE) in SHield Enables Alignment Transfer to Heteronuclei (SABRE-SHEATH) has recently garnered substantial attention for production of hyperpolarized [1-13C]pyruvate quickly (in 1 min) and inexpensively (<$20K equipment). It has been successfully demonstrated in vivo for metabolic imaging of cancer. This technique relies on the simultaneous chemical exchange of parahydrogen, acting as a source of nuclear spin order, and [1-13C]pyruvate on a Ir-IMes polarization transfer catalyst at ∼0.4 μm magnetic field. The SABRE catalyst forms two kinds of complexes with parahydrogen-derived hydrides, pyruvate, and dimethyl sulfoxide, acting as a critically important coligand; however, only the complex that binds pyruvate in an equatorial position can release hyperpolarized [1-13C]pyruvate into the solution to enable bulk HP [1-13C]pyruvate production for use in molecular imaging and other applications. Here, we investigate the interplay of pH and temperature with the SABRE-SHEATH hyperpolarization of [1-13C]pyruvate. Temperature and pH modulate this process in remarkable and complementary ways, greatly affecting pyruvate exchange and 13C relaxation dynamics. The overall process is optimal at pH (methanol) of 6.5-7.7 and a temperature of 6 °C: indeed, the catalyst-bound pyruvate exhibits high 13C polarization levels in excess of 25%. The 13C polarization results are additionally supported by 13C relaxation dynamics at a polarization field of 0.4 microtesla. These results provide deeper understanding of the SABRE-SHEATH process and pave the way to further improve the efficiency of the hyperpolarization technique.
000306517 536__ $$0G:(DE-HGF)POF4-899$$a899 - ohne Topic (POF4-899)$$cPOF4-899$$fPOF IV$$x0
000306517 588__ $$aDataset connected to CrossRef, PubMed, , Journals: inrepo02.dkfz.de
000306517 7001_ $$aGyesi, Joseph$$b1
000306517 7001_ $$aChowdhury, Md Raduanul H$$b2
000306517 7001_ $$aOladun, Clementinah$$b3
000306517 7001_ $$aNantogma, Shiraz$$b4
000306517 7001_ $$aForen, Grant$$b5
000306517 7001_ $$aSamoilenko, Anna$$b6
000306517 7001_ $$00000-0003-4903-1724$$aEttedgui, Jessica$$b7
000306517 7001_ $$aSwenson, Rolf E$$b8
000306517 7001_ $$aKrishna, Murali C$$b9
000306517 7001_ $$00000-0003-3202-9812$$aTomHon, Patrick$$b10
000306517 7001_ $$00000-0001-6779-9978$$aTheis, Thomas$$b11
000306517 7001_ $$ade Maissin, Henri$$b12
000306517 7001_ $$0P:(DE-He78)17e270765cb79a4a3b19014bbb1095bb$$aSchmidt, Andreas$$b13$$udkfz
000306517 7001_ $$00000-0001-6079-5077$$aGoodson, Boyd M$$b14
000306517 7001_ $$aScofield, Sydney$$b15
000306517 7001_ $$aStilgenbauer, Lukas$$b16
000306517 7001_ $$aSadagurski, Marianna$$b17
000306517 7001_ $$00000-0002-8745-8801$$aChekmenev, Eduard Y$$b18
000306517 773__ $$0PERI:(DE-600)2006039-7$$a10.1021/acs.jpcb.5c05015$$gp. acs.jpcb.5c05015$$p12401−12409$$tThe journal of physical chemistry / B$$v129$$x1520-6106$$y2025
000306517 909CO $$ooai:inrepo02.dkfz.de:306517$$pVDB
000306517 9101_ $$0I:(DE-588b)2036810-0$$6P:(DE-He78)17e270765cb79a4a3b19014bbb1095bb$$aDeutsches Krebsforschungszentrum$$b13$$kDKFZ
000306517 9131_ $$0G:(DE-HGF)POF4-899$$1G:(DE-HGF)POF4-890$$2G:(DE-HGF)POF4-800$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$aDE-HGF$$bProgrammungebundene Forschung$$lohne Programm$$vohne Topic$$x0
000306517 9141_ $$y2025
000306517 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS$$d2024-12-20
000306517 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline$$d2024-12-20
000306517 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List$$d2024-12-20
000306517 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences$$d2024-12-20
000306517 915__ $$0StatID:(DE-HGF)0160$$2StatID$$aDBCoverage$$bEssential Science Indicators$$d2024-12-20
000306517 915__ $$0StatID:(DE-HGF)0113$$2StatID$$aWoS$$bScience Citation Index Expanded$$d2024-12-20
000306517 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection$$d2024-12-20
000306517 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bJ PHYS CHEM B : 2022$$d2024-12-20
000306517 915__ $$0StatID:(DE-HGF)0600$$2StatID$$aDBCoverage$$bEbsco Academic Search$$d2024-12-20
000306517 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bASC$$d2024-12-20
000306517 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5$$d2024-12-20
000306517 9201_ $$0I:(DE-He78)FR01-20160331$$kFR01$$lDKTK Koordinierungsstelle Freiburg$$x0
000306517 980__ $$ajournal
000306517 980__ $$aVDB
000306517 980__ $$aI:(DE-He78)FR01-20160331
000306517 980__ $$aUNRESTRICTED