Proton Exchange in a Paramagnetic Chemical Exchange Saturation Transfer Agent from Experimental Studies andab InitioMetadynamics Simulation
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چکیده
منابع مشابه
Proton Exchange in a Paramagnetic Chemical Exchange Saturation Transfer Agent from Experimental Studies and ab Initio Metadynamics Simulation.
The proton-exchange process between water and a carbamate has been studied experimentally and theoretically in a lanthanide-based paramagnetic chemical exchange saturation transfer agent endowed with potential multimodality detection capabilities (optical imaging, or T1 MRI for the Gd(III) analogue). In addition to an in-depth structural analysis by a combined approach (using X-ray crystallogra...
متن کاملResponsive paramagnetic chemical exchange saturation transfer MRI contrast agents
Molecular imaging research has shown great potential to assess the molecular compositions of tissues and provide critical information for clinical diagnoses [1]. These noninvasive assessments of molecular compositions may provide earlier diagnoses of pathologies, may predict therapeutic effects before the therapy is initiated and may provide earlier assessments of therapeutic effects soon after...
متن کاملAnalytical determination of the chemical exchange saturation transfer (CEST) contrast in molecular magnetic resonance imaging
Magnetic resonance based on molecular imaging allows tracing contrast agents thereby facilitating early diagnosis of diseases in a non-invasive fashion that enhances the soft tissue with high spatial resolution. Recently, the exchange of protons between the contrast agent and water, known as the chemical exchange saturation transfer (CEST) effect, has been measured by applying a suitable pulse ...
متن کاملpCEST: Positive contrast using Chemical Exchange Saturation Transfer.
Chemical Exchange Saturation Transfer (CEST) contrast utilizes selective pre-saturation of a small pool of exchanging protons and subsequent detection of the decrease in bulk water signal. The CEST contrast is negative and requires detection of small signal change in the presence of a strong background signal. Here we develop a Positive CEST (pCEST) detection scheme utilizing the analogous natu...
متن کاملA Quantum Mechanical Study of Structural and Electronic Dilution Effects in Paramagnetic Chemical Exchange Saturation Transfer Agents.
We present a computational study of the effect of chemical modifications of the meta and para substituents in the coordinating pendant arm of a modified 1,4,7,10-tetraazacyclododecane-N, N', N″, N‴-tetraamide (DOTAM) ligand on the Chemical Exchange Saturation Transfer (CEST) signal. Magnetic Resonance Imaging (MRI) is currently one of the most widely used techniques available. MRI has led to a ...
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ژورنال
عنوان ژورنال: Inorganic Chemistry
سال: 2017
ISSN: 0020-1669,1520-510X
DOI: 10.1021/acs.inorgchem.6b02773