title: How large is the [Fe(III)(protoporphyrin IX)]+ ion (hemin+) in the gas phase?
abstract: Comparison of the collision cross-section of the [Fe(III)-protoporphyrin IX]+ ion, hemin+, measured by means of ion-mobility experiments and the cross-sections calculated from theoretical structures based on density functional theory reveals that hemin+, in the gas phase, contains intramolecular hydrogen bonding between its two propionic acid side-chains.
authors.affiliation: Department of Chemistry and Centre for Research in Mass Spectrometry, York University, 4700 Keele Street, Toronto, Ontario, Canada M3J 1P3.
authors.forename: Chi-Kit
authors.initials: CK
authors.lastname: Siu
authors.forename: Yuzhu
authors.initials: Y
authors.lastname: Guo
authors.forename: Alan C
authors.initials: AC
authors.lastname: Hopkinson
authors.forename: K W Michael
authors.initials: KW
authors.lastname: Siu
mesh_terms: D000465:Algorithms; D001665:Binding Sites; D005290:Ferric Compounds / Q000737:chemistry* / Q000378:metabolism; D005740:Gases; D006427:Hemin / Q000737:chemistry* / Q000378:metabolism; D006860:Hydrogen Bonding; D007477:Ions; D008958:Models, Molecular; D009942:Organometallic Compounds / Q000737:chemistry* / Q000378:metabolism; D017319:Photosensitizing Agents / Q000494:pharmacology; D011422:Propionates / Q000737:chemistry / Q000378:metabolism; D011524:Protoporphyrins / Q000737:chemistry* / Q000378:metabolism
chemical_list: D005290:Ferric Compounds; D005740:Gases; D007477:Ions; D009942:Organometallic Compounds; D017319:Photosensitizing Agents; D011422:Propionates; D011524:Protoporphyrins; D006427:Hemin; C028025:protoporphyrin IX; C029658:propionic acid