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Metal-Ligand Recognition Index Determination by NMR Proton Relaxation Study

Bonechi, Claudia ; Donati, Alessandro ; Tamasi, Gabriella ; Pardini, Alessio ; Volpi, Vanessa ; Leone, Gemma ; Consumi, Marco ; Magnani, Agnese ; Rossi, Claudio

Molecules (Basel, Switzerland), 2019-03, Vol.24 (6), p.1050 [Peer Reviewed Journal]

Switzerland: MDPI AG

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Title:
Metal-Ligand Recognition Index Determination by NMR Proton Relaxation Study
Author: Bonechi, Claudia ; Donati, Alessandro ; Tamasi, Gabriella ; Pardini, Alessio ; Volpi, Vanessa ; Leone, Gemma ; Consumi, Marco ; Magnani, Agnese ; Rossi, Claudio
Subjects: 1H-NMR ; Copper ; Copper compounds ; copper(II) ; Crystal structure ; Diamagnetism ; Equilibrium ; Inflammation ; Interaction parameters ; Ligands ; metal ion recognition index ; Metal ions ; NMR spectroscopy ; paramagnetic systems ; Piroxicam ; Recognition ; Regression analysis ; Spin-lattice relaxation
Is Part Of: Molecules (Basel, Switzerland), 2019-03, Vol.24 (6), p.1050
Notes: ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
Description: In this study, we developed and validated a new proposed parameter quantifying the interaction strength between natural and/or synthetic molecules with paramagnetic metal ions. The Metal ion Recognition Index, , is a quantitative parameter to describe the proton environment and to define their involvement in the inner and/or outer sphere of the paramagnetic metal ion. The method is based on the analysis of NMR proton spin-lattice relaxation rates of a specific ligand in both the diamagnetic and paramagnetic conditions. The proposed procedure is also useful to calculate the ligand proton spin-lattice relaxation rate in the paramagnetic bound conditions, which is typically very difficult to determine experimentally. was used to compare the ligand proton involvement toward different paramagnetic species, in particular the Copper(II)-Piroxicam system. Copper(II)-Piroxicam complex is one of the most active anti-inflammatory and anti-arthritic species. provides an opportunity to improve our knowledge of metal-ligand complexes that play a fundamental role in bioinorganic interactions.
Publisher: Switzerland: MDPI AG
Language: English

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Metal-Ligand Recognition Index Determination by NMR Proton Relaxation Study

Bonechi, Claudia ; Donati, Alessandro ; Tamasi, Gabriella ; Pardini, Alessio ; Volpi, Vanessa ; Leone, Gemma ; Consumi, Marco ; Magnani, Agnese ; Rossi, Claudio

Switzerland: MDPI AG

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