title: Multifunctional Gadolinium-Doped Mesoporous TiO2Nanobeads: Photoluminescence, Enhanced Spin Relaxation, and Reactive Oxygen Species Photogeneration, Beneficial for Cancer Diagnosis and Treatment.
abstract: Materials with controllable multifunctional abilities for optical imaging (OI) and magnetic resonant imaging (MRI) that also can be used in photodynamic therapy are very interesting for future applications. Mesoporous TiO2sub-micrometer particles are doped with gadolinium to improve photoluminescence functionality and spin relaxation for MRI, with the added benefit of enhanced generation of reactive oxygen species (ROS). The Gd-doped TiO2exhibits red emission at 637 nm that is beneficial for OI and significantly improves MRI relaxation times, with a beneficial decrease in spin-lattice and spin-spin relaxation times. Density functional theory calculations show that Gd3+ions introduce impurity energy levels inside the bandgap of anatase TiO2, and also create dipoles that are beneficial for charge separation and decreased electron-hole recombination in the doped lattice. The Gd-doped TiO2nanobeads (NBs) show enhanced ability for ROS monitored via•OH radical photogeneration, in comparison with undoped TiO2nanobeads and TiO2P25, for Gd-doping up to 10%. Cellular internalization and biocompatibility of TiO2@xGd NBs are tested in vitro on MG-63 human osteosarcoma cells, showing full biocompatibility. After photoactivation of the particles, anticancer trace by means of ROS photogeneration is observed just after 3 min irradiation.
authors.affiliation: Institut fuer Technische Chemie, Gottfried Wilhelm Leibniz Universitaet Hannover, Callinstrasse 3, D-30167, Hannover, Germany.|Department of Chemistry-Physical Chemistry Division, Ångström Laboratory, Uppsala University, Box 523, Lägerhyddsvägen 1, 75120, Uppsala, Sweden.|Faculty of Electrical Engineering, Biophysics Laboratory, University of Ljubljana, SI-1000, Slovenia.
authors.forename: Roghayeh
authors.initials: R
authors.lastname: Imani
authors.affiliation: Institut fuer Technische Chemie, Gottfried Wilhelm Leibniz Universitaet Hannover, Callinstrasse 3, D-30167, Hannover, Germany.|Laboratory of Nano and Quantum Engineering, University of Hannover, Schneiderberg 39, 30167, Hannover, Germany.
authors.forename: Ralf
authors.initials: R
authors.lastname: Dillert
authors.affiliation: Institut fuer Technische Chemie, Gottfried Wilhelm Leibniz Universitaet Hannover, Callinstrasse 3, D-30167, Hannover, Germany.|Laboratory "Photoactive Nanocomposite Materials", Saint-Petersburg State University, Saint-Petersburg, 198504, Russia.
authors.forename: Detlef W
authors.initials: DW
authors.lastname: Bahnemann
authors.affiliation: Department of Chemistry-Structural Chemistry Division, Ångström Laboratory, Uppsala University, Box 538, Lägerhyddsvägen 1, 75120, Uppsala, Sweden.
authors.forename: Meysam
authors.initials: M
authors.lastname: Pazoki
authors.affiliation: Jožef Stefan Institute, Jamova 39, SI-1000, Ljubljana, Slovenia.
authors.forename: Tomaž
authors.initials: T
authors.lastname: Apih
authors.affiliation: Biotechnical Faculty, Department of Biology, University of Ljubljana, Večna pot 111, SI-1000, Ljubljana, Slovenia.
authors.forename: Veno
authors.initials: V
authors.lastname: Kononenko
authors.affiliation: Biotechnical Faculty, Department of Biology, University of Ljubljana, Večna pot 111, SI-1000, Ljubljana, Slovenia.
authors.forename: Neža
authors.initials: N
authors.lastname: Repar
authors.affiliation: Faculty of Health Sciences, Biophysics Laboratory, University of Ljubljana, SI-1000, Ljubljana, Slovenia.
authors.forename: Veronika
authors.initials: V
authors.lastname: Kralj-Iglič
authors.affiliation: Department of Chemistry-Physical Chemistry Division, Ångström Laboratory, Uppsala University, Box 523, Lägerhyddsvägen 1, 75120, Uppsala, Sweden.
authors.forename: Gerrit
authors.initials: G
authors.lastname: Boschloo
authors.affiliation: Biotechnical Faculty, Department of Biology, University of Ljubljana, Večna pot 111, SI-1000, Ljubljana, Slovenia.
authors.forename: Damjana
authors.initials: D
authors.lastname: Drobne
authors.affiliation: Department of Engineering Sciences-Solid State Physics Division, Uppsala University, Box 534, 75121, Uppsala, Sweden.
authors.forename: Tomas
authors.initials: T
authors.lastname: Edvinsson
authors.affiliation: Faculty of Electrical Engineering, Biophysics Laboratory, University of Ljubljana, SI-1000, Slovenia.
authors.forename: Aleš
authors.initials: A
authors.lastname: Iglič
mesh_terms: D002384:Catalysis; D045744:Cell Line, Tumor; D002470:Cell Survival; D000077318:Density Functional Theory; D005682:Gadolinium / Q000737:chemistry*; D006801:Humans; D017665:Hydroxyl Radical / Q000737:chemistry; D049449:Luminescence; D008279:Magnetic Resonance Imaging; D053758:Nanoparticles / Q000737:chemistry* / Q000648:ultrastructure; D009369:Neoplasms / Q000175:diagnosis* / Q000628:therapy*; D061848:Optical Imaging; D016062:Porosity; D017382:Reactive Oxygen Species / Q000378:metabolism*; D013113:Spin Labels; D013696:Temperature; D014025:Titanium / Q000737:chemistry*; D014466:Ultraviolet Rays; D014961:X-Ray Diffraction
chemical_list: D017382:Reactive Oxygen Species; D013113:Spin Labels; C009495:titanium dioxide; D017665:Hydroxyl Radical; D005682:Gadolinium; D014025:Titanium
keywords: TiO2; cancer treatment; gadolinium; photocatalysis; reactive oxygen species