NMR estimation of the activation energy of conformational dynamics in the [Dy(DOTA)]− complex: Energetic manifestation of the gadolinium break

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NMR estimation of the activation energy of conformational dynamics in the [Dy(DOTA)]⁻ complex: Energetic manifestation of the gadolinium break. / Zapolotsky, E. N.; Pershina, E. A.; Babailov, S. P.

In: Polyhedron, Vol. 225, 116071, 01.10.2022.

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

BibTeX

@article{791bf72fe0a34e8f8eea8d34d4ab7428,

title = "NMR estimation of the activation energy of conformational dynamics in the [Dy(DOTA)]− complex: Energetic manifestation of the gadolinium break",

abstract = "The conformational dynamics of the paramagnetic complex [Dy(H2O)n(DOTA)]− has been studied by dynamic 1H NMR within the framework of the signal bandshape analysis technique taking into account the temperature variation of the lanthanide-induced shifts (LIS). The corresponding values of the free energy of activation ΔG≠298 were 68 kJ/mol for the SAP → TSAP transformation process, and 60 kJ/mol for the reverse transition (TSAP → SAP). In the series of [Ln(H2O)n(DOTA)]− complexes from praseodymium to lutetium, there is first a monotonic increase in the free energy of activation ΔG≠298 of the conformational transition up to Dy, then there is a gradual decrease in the activation barrier (as a manifestation of the gadolinium break effect).",

keywords = "Conformational dynamics, DOTA, Dynamic NMR, Dysprosium, Lanthanide paramagnetic complexes",

author = "Zapolotsky, {E. N.} and Pershina, {E. A.} and Babailov, {S. P.}",

note = "Funding Information: This work was supported by the Russian Science Foundation (research project no. 20-63-46026 ). Publisher Copyright: {\textcopyright} 2022",

year = "2022",

month = oct,

day = "1",

doi = "10.1016/j.poly.2022.116071",

language = "English",

volume = "225",

journal = "Polyhedron",

issn = "0277-5387",

publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - NMR estimation of the activation energy of conformational dynamics in the [Dy(DOTA)]− complex: Energetic manifestation of the gadolinium break

AU - Zapolotsky, E. N.

AU - Pershina, E. A.

AU - Babailov, S. P.

PY - 2022/10/1

Y1 - 2022/10/1

N2 - The conformational dynamics of the paramagnetic complex [Dy(H2O)n(DOTA)]− has been studied by dynamic 1H NMR within the framework of the signal bandshape analysis technique taking into account the temperature variation of the lanthanide-induced shifts (LIS). The corresponding values of the free energy of activation ΔG≠298 were 68 kJ/mol for the SAP → TSAP transformation process, and 60 kJ/mol for the reverse transition (TSAP → SAP). In the series of [Ln(H2O)n(DOTA)]− complexes from praseodymium to lutetium, there is first a monotonic increase in the free energy of activation ΔG≠298 of the conformational transition up to Dy, then there is a gradual decrease in the activation barrier (as a manifestation of the gadolinium break effect).

AB - The conformational dynamics of the paramagnetic complex [Dy(H2O)n(DOTA)]− has been studied by dynamic 1H NMR within the framework of the signal bandshape analysis technique taking into account the temperature variation of the lanthanide-induced shifts (LIS). The corresponding values of the free energy of activation ΔG≠298 were 68 kJ/mol for the SAP → TSAP transformation process, and 60 kJ/mol for the reverse transition (TSAP → SAP). In the series of [Ln(H2O)n(DOTA)]− complexes from praseodymium to lutetium, there is first a monotonic increase in the free energy of activation ΔG≠298 of the conformational transition up to Dy, then there is a gradual decrease in the activation barrier (as a manifestation of the gadolinium break effect).

KW - Conformational dynamics

KW - DOTA

KW - Dynamic NMR

KW - Dysprosium

KW - Lanthanide paramagnetic complexes

UR - http://www.scopus.com/inward/record.url?scp=85135364321&partnerID=8YFLogxK

U2 - 10.1016/j.poly.2022.116071

DO - 10.1016/j.poly.2022.116071

M3 - Article

AN - SCOPUS:85135364321

VL - 225

JO - Polyhedron

JF - Polyhedron

SN - 0277-5387

M1 - 116071

ER -

ID: 36779167