The UV research groups (GIUV) are regulated in the 1st chapter of the Regulation ACGUV48/2013, which explains the procedure for creating new research structures. They are basic research and organizational structures that result from the voluntary association of researchers that share objectives, facilities, resources and common lines of research. These researchers are also committed to the consolidation and stability of their activity, work in groups and the capability to achieve a sustainable funding.
The research groups included in the previously mentioned Regulation are registered in the Register of Research Structures of the Universitat de València (REIUV), managed by the Office of the Vice-principal for Research. The basic information of these organisms can be found in this website.
Participants
Data related to research groups featured in various information dissemination channels shall not, under any circumstances, imply a statement or commitment regarding the employment or academic affiliation of individuals associated with the Universitat de València. Their inclusion is solely the responsibility of the group directors. Updates will be made upon request from interested parties.
- Registered groups in the Register of Research Structures of the Universitat de València - (REIUV)
Reference of the Group:
Description of research activity: The main objective of the QCEXVAL group is to determine, with high precision, chemical mechanisms derived from the interaction between visible-UV radiation and relevant molecular systems in biology, medicine, nanotechnology and the environment, thus establishing the basis for predicting innovative electronic properties and proposing new molecules for their applied use in these fields. To this end, the tools of theoretical and computational chemistry and computationally powerful computer farms are used. Furthermore, we contribute to the development of new methodologies and computational procedures to solve highly complex problems.
Web:
Scientific-technical goals: - Investigacion en Quimica Cuantica del Estado Electronico Excitado en Sistemas de Interes en Biologia, Medicina, Nanotecnologia y Medio Ambiente
Research lines: - Damage and repair mechanisms in DNA/RNA.Study of photoinduced processes that lead to the production of lesions on the DNA. Determination of photostability and photoreactivity properties of the DNA/RNA components. Function of reactive oxygen/nitrogen species, low-energy electrons and other endogenous/exogenous reactive agents in DNA/RNA damage. Damage mechanisms by photosensitisation (photodynamic therapy for the treatment of cancer).
- Dark photochemistry - Link between photochemistry and chemiluminescence.Prediction of phenomena in which a chemical reaction induces a photochemical process without the use of light and of biological, medical and nanotechnological relevance. Examples: creation of UV-type lesions in the darkness; activation of the vision process in the darkness.
- Biowater and nanowater.Photophysics and photochemistry of water aggregates and their relevance to biological and nanotechnological systems.
- Photochemistry and luminescence in nanotechnology.To determine the reasons of the emitter/non-emitter behaviour of organic and inorganic molecules of interest in optoelectronics and photovoltaic devices. To improve efficiency by identifying and eliminating unwanted photochemical processes. Photochemistry of boranes and organic molecules with great pi-type conjugation.
- Sunlight induced chemistry in the Earth's atmosphere.Determination of sunlight absorption intensities of molecules in the atmosphere. Prediction of sunlight response mechanisms. Hg cycle in the Earth's atmosphere.
- Bio- and computational and theoretical chemiluminescence.Determination of chemiluminescence and bioluminescence mechanisms. Understanding of electronic structure properties necessary to produce an efficient chemical excitation. Characterisation of different mechanisms (non-catalysed, intra- and intermolecular catalysed, etc.).
- Photoionisation processes in DNA.Molecular mechanisms that mediate the absorption of high-energy light (VUV and higher), produce the loss of one or more electrons which results in DNA photoionisation.
- Development and application of methods for the simulation of linear and non-linear optical spectroscopy in molecular systems.Theoretical development of methods for the precise simulation of linear and non-linear optical spectroscopy techniques and their application in molecular systems, particularly focused on the analysis of dynamic processes in the excited electronic state and the precise determination of absorption and emission intensities in condensed phases.
Group members:
CNAE:
Associated structure: - Institute of Molecular Science (ICMOL)
Keywords: - ADN/ARN, ROS/RNS, Fotosensibilizadores, cáncer
- bioluminescence, dioxetanes, DNA/RNA, vision process, photoisomerisation, photocycloadditions
- solvation, excited water states, CASSCF/CASPT2
- luminescence, non-radiative deactivation, boranes, pi-conjugated systems
- mercury, sulfur, air pollutants
- chemiexcitation, cold light, fireflies, dioxetanes, luminol
- Fotoionización, Radiación VUV, Espectroscopía fotoelectrónica, ADN/ARN, CASSCF/CASPT2
- Espectroscopía Teórica, Fotoquímica, Espectroscopía multidimensional, Radiación UV/Vis, Estados electrónicos excitados, CASSCF/CASPT2, Espectroscopía electrónica en fase condensada
