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Hyperpolarized ⁸⁹Y-EDTMP complex as a chemical shift-based NMR sensor for pH at the physiological range.

ABSTRACT: Yttrium (III) complexes are interesting due to the similarity of their chemistry with gadolinium complexes that are used as contrast agents in nuclear magnetic resonance (NMR) spectroscopy or imaging (MRI). While most of the paramagnetic Gd³⁺-based MRI contrast agents are T₁ or T₂ relaxation-based sensors such as Gd³⁺-complexes for zinc or pH detection, a number of diamagnetic Y³⁺-complexes rely on changes in the chemical shift for potential quantitative MRI in biological milieu. ⁸⁹Y, however, is a challenging nucleus to work with in conventional NMR or MRI due to its inherently low sensitivity and relatively long T₁ relaxation time. This insensitivity problem in ⁸⁹Y-based complexes can be circumvented with the use of dissolution dynamic nuclear polarization (DNP) which allows for several thousand-fold enhancement of the NMR or MRI signal relative to thermal equilibrium signal. Herein, we report on the feasibility of using hyperpolarized ⁸⁹Y-complexes with phosphonated open-chain ligands, ⁸⁹Y-EDTMP and ⁸⁹Y-DTPMP, as potential chemical shift-based pH NMR sensors. Our DNP-NMR data show that hyperpolarized ⁸⁹Y-DTPMP has an apparent pK_a ~ 7.01 with a 4 ppm-wide chemical shift dispersion with the signal disappearing at pH below 6.2. On the other hand, pH titration data on hyperpolarized ⁸⁹Y-EDTMP show that it has an apparent pK_a of pH 6.7 and a 16-ppm wide chemical shift dispersion at pH 5-9 range. In comparison, the previously reported hyperpolarized pH NMR sensor ⁸⁹Y-DOTP has a pK_a of 7.64 and ~ 10-ppm wide chemical shift dispersion at pH 4-9 range. Overall, our data suggest that hyperpolarized ⁸⁹Y-EDTMP is better than hyperpolarized ⁸⁹Y-DOTP in terms of pH sensing capability at the physiological range.

SUBMITTER: Wang Q

PROVIDER: S-EPMC7895333 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature

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Hyperpolarized 89Y-EDTMP complex as a chemical shift-based NMR sensor for pH at the physiological range.

Wang Qing Q Parish Christopher C Niedbalski Peter P Ratnakar James J Kovacs Zoltan Z Lumata Lloyd L

Journal of magnetic resonance (San Diego, Calif. : 1997) 20200929

Yttrium (III) complexes are interesting due to the similarity of their chemistry with gadolinium complexes that are used as contrast agents in nuclear magnetic resonance (NMR) spectroscopy or imaging (MRI). While most of the paramagnetic Gd3+-based MRI contrast agents are T1 or T2 relaxation-based sensors such as Gd3+-complexes for zinc or pH detection, a number of diamagnetic Y3+-complexes rely on changes in the chemical shift for potential ...[more]

PMID: 33039915

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Project description:PurposeA multiecho, field of view (FOV)-oversampled k-t spiral acquisition and direct iterative decomposition of water and fat with echo asymmetry and least-squares estimation reconstruction is demonstrated to improve the stability of hyperpolarized 13 C magnetic resonance spectroscopic imaging (MRSI) in the presence of signal ambiguities attributed to low-SNR (signal-to-noise-ratio) species, local uncertainties in metabolite peaks, and echo-to-echo signal inconsistencies.Theoryk-t spiral acquisitions redistribute readout points to be more densely spaced radially in k-space by acquiring an FOV and matrix that are oversampled by η. These more densely spaced spiral turns constitute effective intraspiral echoes and can supplement conventional interspiral echoes to improve spectral separation and reduce spectral cross-talk to better resolve 13 C-labeled species for spectroscopic imaging.MethodsDigital simulations and imaging phantom experiments were performed for a range of interspiral echo spacings and η using multiecho, k-t spiral acquisitions. Image spectral cross-talk artifacts were evaluated both qualitatively and quantitatively as the percent error in measured metabolite ratios. In vivo murine experiments evaluated the feasibility of multiecho, k-t spiral [1-13 C]pyruvate MRSI to reduce spectral cross-talk for 3 scenarios of different expected reconstruction stability.ResultsDigital simulations and imaging phantom experiments both demonstrated reduced or comparable image spectral cross-talk and percent errors in measured metabolite ratios with increasing η and better choices of echo spacings. In vivo images displayed markedly reduced spectral cross-talk in lactate images acquired with η = 7 versus η = 1.ConclusionThe precision of hyperpolarized 13 C metabolic imaging and quantification in the presence of low-SNR species, local uncertainties in metabolite resonances, and echo-to-echo signal inconsistencies can be improved with the use of FOV-oversampled k-t spiral acquisitions.

Dataset Information

Hyperpolarized ⁸⁹Y-EDTMP complex as a chemical shift-based NMR sensor for pH at the physiological range.

Publications

Hyperpolarized <sup>89</sup>Y-EDTMP complex as a chemical shift-based NMR sensor for pH at the physiological range.

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