Lanthanides as NMR/MRI temperature sensors and probes of moderately fast molecular dynamics in aqueous medium: A dependence of activation energy of racemization in complexes of diethylenetriaminepentaacetat on lanthanide ion

Sergey P. Babailov

    Research output: Contribution to journalArticle

    5 Citations (Scopus)

    Abstract

    In solution, [Ln(H2O)n(dtpa)]2− chelates undergo a dynamic exchange between two enantiomers. The free energy of activation of intramolecular dynamics (for complexes of Pr to Ho) slightly increases with decreasing radius of the lanthanide cation. According to analysis of the paramagnetic lanthanide induced shifts (LIS) in NMR spectra, the structure of [Ho(H2O)n(dtpa)]2− in solution is similar to the related model found in the crystal state. It was found that complexes [Ln(H2O)n(dtpa)]2− may be used (due to the substantial temperature dependence of LIS) as NMR thermometric sensors for controlling the local temperature in aqueous medium. The investigated coordination compounds are suggested to apply as thermo-sensing contrast reagent for MRI diagnostics of cancer and inflammation.

    Original languageEnglish
    Pages (from-to)108-111
    Number of pages4
    JournalSensors and Actuators, B: Chemical
    Volume251
    DOIs
    Publication statusPublished - 1 Nov 2017

    Fingerprint

    temperature probes
    Lanthanoid Series Elements
    temperature sensors
    Temperature sensors
    Rare earth elements
    Magnetic resonance imaging
    Molecular dynamics
    Activation energy
    Nuclear magnetic resonance
    Ions
    molecular dynamics
    activation energy
    nuclear magnetic resonance
    shift
    enantiomers
    chelates
    reagents
    ions
    Enantiomers
    cancer

    Keywords

    • Conformation dynamics
    • DTPA
    • Free energy of activation
    • Lanthanide complexes
    • Lanthanide-induced shifts in NMR spectra
    • NMR/MRI temperature sensor

    ASJC Scopus subject areas

    • Electronic, Optical and Magnetic Materials
    • Instrumentation
    • Condensed Matter Physics
    • Surfaces, Coatings and Films
    • Metals and Alloys
    • Materials Chemistry
    • Electrical and Electronic Engineering

    Cite this

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    title = "Lanthanides as NMR/MRI temperature sensors and probes of moderately fast molecular dynamics in aqueous medium: A dependence of activation energy of racemization in complexes of diethylenetriaminepentaacetat on lanthanide ion",
    abstract = "In solution, [Ln(H2O)n(dtpa)]2− chelates undergo a dynamic exchange between two enantiomers. The free energy of activation of intramolecular dynamics (for complexes of Pr to Ho) slightly increases with decreasing radius of the lanthanide cation. According to analysis of the paramagnetic lanthanide induced shifts (LIS) in NMR spectra, the structure of [Ho(H2O)n(dtpa)]2− in solution is similar to the related model found in the crystal state. It was found that complexes [Ln(H2O)n(dtpa)]2− may be used (due to the substantial temperature dependence of LIS) as NMR thermometric sensors for controlling the local temperature in aqueous medium. The investigated coordination compounds are suggested to apply as thermo-sensing contrast reagent for MRI diagnostics of cancer and inflammation.",
    keywords = "Conformation dynamics, DTPA, Free energy of activation, Lanthanide complexes, Lanthanide-induced shifts in NMR spectra, NMR/MRI temperature sensor",
    author = "Babailov, {Sergey P.}",
    year = "2017",
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    language = "English",
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    TY - JOUR

    T1 - Lanthanides as NMR/MRI temperature sensors and probes of moderately fast molecular dynamics in aqueous medium

    T2 - A dependence of activation energy of racemization in complexes of diethylenetriaminepentaacetat on lanthanide ion

    AU - Babailov, Sergey P.

    PY - 2017/11/1

    Y1 - 2017/11/1

    N2 - In solution, [Ln(H2O)n(dtpa)]2− chelates undergo a dynamic exchange between two enantiomers. The free energy of activation of intramolecular dynamics (for complexes of Pr to Ho) slightly increases with decreasing radius of the lanthanide cation. According to analysis of the paramagnetic lanthanide induced shifts (LIS) in NMR spectra, the structure of [Ho(H2O)n(dtpa)]2− in solution is similar to the related model found in the crystal state. It was found that complexes [Ln(H2O)n(dtpa)]2− may be used (due to the substantial temperature dependence of LIS) as NMR thermometric sensors for controlling the local temperature in aqueous medium. The investigated coordination compounds are suggested to apply as thermo-sensing contrast reagent for MRI diagnostics of cancer and inflammation.

    AB - In solution, [Ln(H2O)n(dtpa)]2− chelates undergo a dynamic exchange between two enantiomers. The free energy of activation of intramolecular dynamics (for complexes of Pr to Ho) slightly increases with decreasing radius of the lanthanide cation. According to analysis of the paramagnetic lanthanide induced shifts (LIS) in NMR spectra, the structure of [Ho(H2O)n(dtpa)]2− in solution is similar to the related model found in the crystal state. It was found that complexes [Ln(H2O)n(dtpa)]2− may be used (due to the substantial temperature dependence of LIS) as NMR thermometric sensors for controlling the local temperature in aqueous medium. The investigated coordination compounds are suggested to apply as thermo-sensing contrast reagent for MRI diagnostics of cancer and inflammation.

    KW - Conformation dynamics

    KW - DTPA

    KW - Free energy of activation

    KW - Lanthanide complexes

    KW - Lanthanide-induced shifts in NMR spectra

    KW - NMR/MRI temperature sensor

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    JO - Sensors and Actuators, B: Chemical

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