Determination of molecular hydration in solution via changes in magnetic anisotropy

Marcus J. Giansiracusa; Michele Vonci; Yasmin L. Whyatt; Carys Williams; Kevin Mason; David Parker; Eric J. L. McInnes; Nicholas F. Chilton

doi:10.1039/d3cc00601h

Determination of molecular hydration in solution via changes in magnetic anisotropy

Marcus J. Giansiracusa
, Michele Vonci
, Yasmin L. Whyatt
, Carys Williams
, Kevin Mason
, David Parker^*
, Eric J. L. McInnes^*
, Nicholas F. Chilton^*

^*Corresponding author for this work

Department of Chemistry

Research output: Contribution to journal › Journal article › peer-review

Abstract

The hydration behaviour of coordination complexes is important for understanding their roles as bio-imaging agents. Determination of hydration is difficult, and various optical and NMR-based techniques have been used. Here we use EPR spectroscopy to unambiguously demonstrate that a t-butyl-pyridyl-functionalised Er^III DOTA derivative coordinates water, while its methylphosphinate analogue does not.

Original language	English
Pages (from-to)	4531-4534
Number of pages	4
Journal	Chemical Communications
Volume	59
Issue number	30
DOIs	https://doi.org/10.1039/d3cc00601h
Publication status	Published - 18 Apr 2023

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10.1039/d3cc00601h

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title = "Determination of molecular hydration in solution via changes in magnetic anisotropy",

abstract = "The hydration behaviour of coordination complexes is important for understanding their roles as bio-imaging agents. Determination of hydration is difficult, and various optical and NMR-based techniques have been used. Here we use EPR spectroscopy to unambiguously demonstrate that a t-butyl-pyridyl-functionalised ErIII DOTA derivative coordinates water, while its methylphosphinate analogue does not.",

author = "Giansiracusa, \{Marcus J.\} and Michele Vonci and Whyatt, \{Yasmin L.\} and Carys Williams and Kevin Mason and David Parker and McInnes, \{Eric J. L.\} and Chilton, \{Nicholas F.\}",

note = "Funding information: We thank EPSRC (EP/N007034/1), The Royal Society (URF191320) and the ERC (ERC-2019-STG-851504) for funding. We thank the Computational Shared Facility at The University of Manchester for access to the CSF3. We thank the EPSRC EPR National Facility for access to EPR spectroscopy (EP/W014521/1 and EP/V035231/1). The data that support the findings of this study are openly available in FigShare at https://doi.org/10.48420/21740702. Publisher Copyright: {\textcopyright} The Royal Society of Chemistry 2023",

year = "2023",

month = apr,

day = "18",

doi = "10.1039/d3cc00601h",

language = "English",

volume = "59",

pages = "4531--4534",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "30",

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TY - JOUR

T1 - Determination of molecular hydration in solution via changes in magnetic anisotropy

AU - Giansiracusa, Marcus J.

AU - Vonci, Michele

AU - Whyatt, Yasmin L.

AU - Williams, Carys

AU - Mason, Kevin

AU - Parker, David

AU - McInnes, Eric J. L.

AU - Chilton, Nicholas F.

N1 - Funding information: We thank EPSRC (EP/N007034/1), The Royal Society (URF191320) and the ERC (ERC-2019-STG-851504) for funding. We thank the Computational Shared Facility at The University of Manchester for access to the CSF3. We thank the EPSRC EPR National Facility for access to EPR spectroscopy (EP/W014521/1 and EP/V035231/1). The data that support the findings of this study are openly available in FigShare at https://doi.org/10.48420/21740702. Publisher Copyright: © The Royal Society of Chemistry 2023

PY - 2023/4/18

Y1 - 2023/4/18

N2 - The hydration behaviour of coordination complexes is important for understanding their roles as bio-imaging agents. Determination of hydration is difficult, and various optical and NMR-based techniques have been used. Here we use EPR spectroscopy to unambiguously demonstrate that a t-butyl-pyridyl-functionalised ErIII DOTA derivative coordinates water, while its methylphosphinate analogue does not.

AB - The hydration behaviour of coordination complexes is important for understanding their roles as bio-imaging agents. Determination of hydration is difficult, and various optical and NMR-based techniques have been used. Here we use EPR spectroscopy to unambiguously demonstrate that a t-butyl-pyridyl-functionalised ErIII DOTA derivative coordinates water, while its methylphosphinate analogue does not.

UR - https://www.scopus.com/pages/publications/85151847553

U2 - 10.1039/d3cc00601h

DO - 10.1039/d3cc00601h

M3 - Journal article

C2 - 36975615

SN - 1359-7345

VL - 59

SP - 4531

EP - 4534

JO - Chemical Communications

JF - Chemical Communications

IS - 30

ER -

Determination of molecular hydration in solution via changes in magnetic anisotropy

Abstract

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