title: Chemical and photochemical properties of chloroharmine derivatives in aqueous solutions.
abstract: Thermal and photochemical stability (Φ(R)), room temperature UV-vis absorption and fluorescence spectra, fluorescence quantum yields (Φ(F)) and lifetimes (τ(F)), quantum yields of hydrogen peroxide (Φ(H2O2)) and singlet oxygen (Φ(Δ)) production, and triplet lifetimes (τ(T)) have been obtained for the neutral and protonated forms of 6-chloroharmine, 8-chloroharmine and 6,8-dichloroharmine, in aqueous media. When it was possible, the effect of pH and oxygen concentration was evaluated. The nature of electronic transitions of protonated and neutral species of the three investigated chloroharmines was established using Time-Dependent Density Functional Theory (TD-DFT) calculations. The impact of all the foregoing observations on the biological role of the studied compounds is discussed.
authors.affiliation: Instituto de Investigaciones Biotecnológicas - Instituto Tecnológico de Chascomús (IIB-INTECH), Universidad Nacional de San Martín (UNSAM) - Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Av. Intendente Marino Km 8.2, CC 164 (B7130IWA), Chascomús, Argentina. fcabrerizo@intech.gov.ar.
authors.forename: Federico A O
authors.initials: FA
authors.lastname: Rasse-Suriani
authors.affiliation: Instituto de Investigaciones Biotecnológicas - Instituto Tecnológico de Chascomús (IIB-INTECH), Universidad Nacional de San Martín (UNSAM) - Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Av. Intendente Marino Km 8.2, CC 164 (B7130IWA), Chascomús, Argentina. fcabrerizo@intech.gov.ar.
authors.forename: M Paula
authors.initials: MP
authors.lastname: Denofrio
authors.affiliation: Instituto de Investigaciones Biotecnológicas - Instituto Tecnológico de Chascomús (IIB-INTECH), Universidad Nacional de San Martín (UNSAM) - Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Av. Intendente Marino Km 8.2, CC 164 (B7130IWA), Chascomús, Argentina. fcabrerizo@intech.gov.ar.
authors.forename: Juan G
authors.initials: JG
authors.lastname: Yañuk
authors.affiliation: Instituto de Investigaciones Biotecnológicas - Instituto Tecnológico de Chascomús (IIB-INTECH), Universidad Nacional de San Martín (UNSAM) - Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Av. Intendente Marino Km 8.2, CC 164 (B7130IWA), Chascomús, Argentina. fcabrerizo@intech.gov.ar.
authors.forename: M Micaela
authors.initials: MM
authors.lastname: Gonzalez
authors.affiliation: Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA, UNLP, CCT La Plata-CONICET), Diag. 113 y 64, Sucursal 4, C.C. 16, (B1906ZAA) La Plata, Argentina.
authors.forename: Ezequiel
authors.initials: E
authors.lastname: Wolcan
authors.affiliation: Institute of Pharmacy and Biochemistry, University of Mainz, Staudingerweg 5, Mainz, Germany.
authors.forename: Marco
authors.initials: M
authors.lastname: Seifermann
authors.affiliation: CIHIDECAR - CONICET, Departamento de Química Orgánica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pabellón 2, 3p, Ciudad Universitaria, (1428) Buenos Aires, Argentina. erra@qo.fcen.uba.ar.
authors.forename: Rosa
authors.initials: R
authors.lastname: Erra-Balsells
authors.affiliation: Instituto de Investigaciones Biotecnológicas - Instituto Tecnológico de Chascomús (IIB-INTECH), Universidad Nacional de San Martín (UNSAM) - Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Av. Intendente Marino Km 8.2, CC 164 (B7130IWA), Chascomús, Argentina. fcabrerizo@intech.gov.ar.
authors.forename: Franco M
authors.initials: FM
authors.lastname: Cabrerizo
mesh_terms: D005453:Fluorescence; D006247:Harmine / Q000031:analogs & derivatives* / Q000737:chemistry*; D006861:Hydrogen Peroxide / Q000737:chemistry; D015394:Molecular Structure; D010100:Oxygen / Q000737:chemistry; D055668:Photochemical Processes; D012996:Solutions; D013050:Spectrometry, Fluorescence; D014867:Water / Q000737:chemistry*
chemical_list: D012996:Solutions; D014867:Water; D006247:Harmine; D006861:Hydrogen Peroxide; D010100:Oxygen