Breaking the Barrier to Slow Water Exchange Rates for Optimal Magnetic Resonance Detection of paraCEST Agents

W. Shirangi Fernando; André F. Martins; Piyu Zhao; Yunkou Wu; Garry E. Kiefer; Carlos Platas-Iglesias; A. Dean Sherry

doi:10.1021/acs.inorgchem.5b02850

Breaking the Barrier to Slow Water Exchange Rates for Optimal Magnetic Resonance Detection of paraCEST Agents

W. Shirangi Fernando, André F. Martins, Piyu Zhao, Yunkou Wu, Garry E. Kiefer, Carlos Platas-Iglesias, A. Dean Sherry

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

28 Scopus citations

Abstract

EuDOTA-tetraamide complexes as paraCEST agents offer an attractive platform for designing biological sensors and responsive agents. The early versions of these agents showed low sensitivity at temperature and power levels suitable for in vivo applications partly due to non-optimal water exchange rates. Here we report two new EuDOTA derivatives having glutamyl-phosphonate side arms that display the slowest water exchange rates of any other paraCEST agent reported so far. The advantages of such systems are demonstrated experimentally both in vitro and in vivo and DFT calculations were performed to help understand the physical-chemical reasons for this interesting behavior.

Original language	English (US)
Pages (from-to)	3007-3014
Number of pages	8
Journal	Inorganic Chemistry
Volume	55
Issue number	6
DOIs	https://doi.org/10.1021/acs.inorgchem.5b02850
State	Published - Mar 21 2016

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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abstract = "EuDOTA-tetraamide complexes as paraCEST agents offer an attractive platform for designing biological sensors and responsive agents. The early versions of these agents showed low sensitivity at temperature and power levels suitable for in vivo applications partly due to non-optimal water exchange rates. Here we report two new EuDOTA derivatives having glutamyl-phosphonate side arms that display the slowest water exchange rates of any other paraCEST agent reported so far. The advantages of such systems are demonstrated experimentally both in vitro and in vivo and DFT calculations were performed to help understand the physical-chemical reasons for this interesting behavior.",

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AU - Kiefer, Garry E.

AU - Platas-Iglesias, Carlos

AU - Sherry, A. Dean

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AB - EuDOTA-tetraamide complexes as paraCEST agents offer an attractive platform for designing biological sensors and responsive agents. The early versions of these agents showed low sensitivity at temperature and power levels suitable for in vivo applications partly due to non-optimal water exchange rates. Here we report two new EuDOTA derivatives having glutamyl-phosphonate side arms that display the slowest water exchange rates of any other paraCEST agent reported so far. The advantages of such systems are demonstrated experimentally both in vitro and in vivo and DFT calculations were performed to help understand the physical-chemical reasons for this interesting behavior.

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Breaking the Barrier to Slow Water Exchange Rates for Optimal Magnetic Resonance Detection of paraCEST Agents

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