镧系化合物与聚氨基聚羧酸盐配合物作为未来核磁共振/核磁共振诊断探针:分子结构、动力学和顺磁性的特性

IF 2.3 4区 化学 Q2 Agricultural and Biological Sciences Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2021-11-11 DOI:10.1007/s10847-021-01112-3
Eugeny N. Zapolotsky, Yanyang Qu, Sergey P. Babailov
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引用次数: 17

摘要

具有聚氨基聚羧酸(PAPC)配体的顺磁性镧系配合物在医学磁共振成像(MRI)和发光材料中作为松弛剂的潜在应用引起了相当大的关注,同时由于其具有热力学稳定性,在水介质中具有良好的溶解度和中等毒性,因此有望用作研究生物聚合物性质的顺磁标记。在过去的几十年里,核磁共振方法已经被用来确定顺磁性Ln化合物的物理和化学性质。对溶解Ln配合物的顺磁核磁共振镧系元素诱导位移(LISs)的研究,以及能带形状随温度的函数分析,使人们有可能获得有关其结构、分子内和分子间动力学以及顺磁性质的有价值的信息。本文主要从以下几个方面进行综述:首先,利用核磁共振技术研究了多氨基-聚羧酸配体DOTA、EDTA、DTPA等镧系配合物及其衍生物的分子内动力学过程;其次,分析了EDTA、DOTA、DTPA及其衍生物配合物的分子动力学活化能随温度和ph的变化规律。此外,本文首次分析了多齿配体配合物分子动力学活化能随镧系阳离子原子序数的变化规律,发现了镧系离子收缩作用导致的分子动力学活化能的单调变化。值得注意的是,这种现象是相当普遍的,将来也可能出现在与其他多齿配体、双齿配体和单齿配体的镧系配合物的许多其他系列中。在未来,有可能预测某些镧系配合物的性质依赖于镧系阳离子的离子半径在综述中提出的方法。本文还介绍了动态核磁共振作为广泛用于分子动力学过程分析的主要研究方法,以及基于核磁共振弛豫光谱和LIS分析的结构研究。
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Lanthanide complexes with polyaminopolycarboxylates as prospective NMR/MRI diagnostic probes: peculiarities of molecular structure, dynamics and paramagnetic properties

The paramagnetic lanthanide complexes with polyaminopolycarboxylate (PAPC) ligands attract considerable attention from the standpoint of potential applications thereof as relaxation agents used in medical magnetic resonance imaging (MRI) and in luminescent materials, as well as owing to promising use thereof as paramagnetic labels for studying the properties of biopolymers since they exhibit thermodynamic stability, good solubility in aqueous media and moderate toxicity. For the last decades, the NMR methods have been used to determine the physical and chemical properties of paramagnetic Ln compounds. The studies concerning paramagnetic NMR lanthanide-induced shifts (LISs) in dissolved Ln complexes, as well as the analysis of band shape as a function of temperature make it possible to obtain valuable information on the structure, intra- and intermolecular dynamics and paramagnetic properties thereof. This review is devoted solely to the following features: firstly, the processes of intramolecular dynamics of lanthanide complexes with polyamino-polycarboxylate ligands such as DOTA, EDTA and DTPA and their derivatives studied by NMR; secondly, the LISs of lanthanide complexes with EDTA, DOTA, DTPA and some of their derivatives depending on temperature and pH. Moreover, in this review, for the first time, the dependence of the activation energy of molecular dynamics in complexes with polydentate ligands on the atomic number of the lanthanide cation is analyzed and a monotonic change in energy is detected, which is due to the effect of lanthanide contraction. It should be noted that this phenomenon is quite general and may also appear in the future in many other series of lanthanide complexes with both other multidentate ligands and with bidentate and monodentate ligands. In the future, it is possible to predict the dependence of the properties of certain lanthanide complexes on the ionic radius of the lanthanide cation based on the approaches presented in the review. In this review, we have also presented the dynamic NMR as the main research method widely used to analyze the processes of molecular dynamics, and the structural studies based on the NMR relaxation spectroscopy and LIS analysis.

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来源期刊
CiteScore
3.30
自引率
8.70%
发文量
0
审稿时长
3-8 weeks
期刊介绍: The Journal of Inclusion Phenomena and Macrocyclic Chemistry is the premier interdisciplinary publication reporting on original research into all aspects of host-guest systems. Examples of specific areas of interest are: the preparation and characterization of new hosts and new host-guest systems, especially those involving macrocyclic ligands; crystallographic, spectroscopic, thermodynamic and theoretical studies; applications in chromatography and inclusion polymerization; enzyme modelling; molecular recognition and catalysis by inclusion compounds; intercalates in biological and non-biological systems, cyclodextrin complexes and their applications in the agriculture, flavoring, food and pharmaceutical industries; synthesis, characterization and applications of zeolites. The journal publishes primarily reports of original research and preliminary communications, provided the latter represent a significant advance in the understanding of inclusion science. Critical reviews dealing with recent advances in the field are a periodic feature of the journal.
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