Section 5: What is the role of functional imaging and isotopic treatment?

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Insights into the nature of the hydrogen bonding of ^·Tyr₂₇₂ in apo-galactose oxidase

The synthesis and structure of an o-methylthio-phenol-imidazole, 2-(2′-(4′-tert-butyl-6′-methylsulfanyl)-hydroxyphenyl))-4,5-diphenyl-imidazole (MeSLH), is reported; X-ray crystallographic studies have shown that MeSLH involves an O–H···N+ hydrogen bond between the phenol and an imidazole nitrogen. MeSLH undergoes a reversible, one-electron, oxidation to form the radical cation [MeSLH]·+ the EPR spectrum of which is remarkably similar to that of ·Tyr272 in Cu-free, oxidized, apo-GO. Density Functional Theory calculations, have shown that the proton-transferred (R–O····H–N+) form of [MeSLH]·+ has a spin density distribution – with a substantial delocalization of the unpaired electron spin density onto the ortho sulfur atom – and EPR properties that are in good agreement with those of ·Tyr272 in Cu-free, oxidized, apo-GO whereas the non-proton-transferred (R–O·+–H···N) form does not. The results reported herein are a further demonstration of the influence of hydrogen bonding on the nature and properties of phenoxyl radicals and strongly suggest that the phenoxyl oxygen of ·Tyr272 in Cu-free, oxidized, apo-GO is involved in a O····H–O/N hydrogen bond

CCDC 167604: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures

CCDC 199491: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures

CCDC 167603: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures

CCDC 199489: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures

CCDC 199488: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures

Comparison of four strategies of radioiodine ablation : final results of the randomized, prospective ESTIMABL study on 752 low-risk thyroide cancer patients

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