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.

Original language	English
Pages (from-to)	108-111
Number of pages	4
Journal	Sensors and Actuators, B: Chemical
Volume	251
DOIs	https://doi.org/10.1016/j.snb.2017.05.033
Publication status	Published - 1 Nov 2017

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

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10.1016/j.snb.2017.05.033

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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. / Babailov, Sergey P.

In: Sensors and Actuators, B: Chemical, Vol. 251, 01.11.2017, p. 108-111.

Research output: Contribution to journal › Article › peer-review

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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.}",

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

AU - Babailov, Sergey P.

PY - 2017/11/1

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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.

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KW - Lanthanide-induced shifts in NMR spectra

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