PHOTOQUIMICA AND COMPUTATIONAL CHEMILUMINESCENCE OF MOLECULAR SYSTEMS OF BIOLOGICAL INTEREST AND NANOTECNOLOGICAL (Q3194092): Difference between revisions

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(‎Changed label, description and/or aliases in en: translated_label)
(‎Removed claim: summary (P836): WE PROPOSE THE STUDY, WITH THE SAME THEORETICAL APPROACH, OF PHOTOCHEMICAL MECHANISMS, CHEMILUMINESCENCE AND THE EFFECTS OF WATER AGGREGATES IN BIOLOGICAL SYSTEMS AND APPLICATION IN NANOTECHNOLOGY. IT IS INTENDED, FIRST OF ALL, TO ADVANCE THE UNDERSTANDING OF THE MOLECULAR BASES OF PHOTOSTABILITY AND FORMATION OF LESIONS, PHOTOINDUCED OR BY REACTIVITY WITH ENDOGENOUS OR EXOGENOS AGENTS, IN NUCLEIC ACIDS; SECONDLY, TO DETERMINE EFFICIENT TRIPLE...)
Property / summary
WE PROPOSE THE STUDY, WITH THE SAME THEORETICAL APPROACH, OF PHOTOCHEMICAL MECHANISMS, CHEMILUMINESCENCE AND THE EFFECTS OF WATER AGGREGATES IN BIOLOGICAL SYSTEMS AND APPLICATION IN NANOTECHNOLOGY. IT IS INTENDED, FIRST OF ALL, TO ADVANCE THE UNDERSTANDING OF THE MOLECULAR BASES OF PHOTOSTABILITY AND FORMATION OF LESIONS, PHOTOINDUCED OR BY REACTIVITY WITH ENDOGENOUS OR EXOGENOS AGENTS, IN NUCLEIC ACIDS; SECONDLY, TO DETERMINE EFFICIENT TRIPLET POPULATION MECHANISMS AND PHOTOSENSITISATION; THIRDLY, TO ESTABLISH RELATIONSHIPS BETWEEN ORGANIC, INORGANIC OR FORMATIONS OF WATER AGGREGATES AND SPECTROSCOPIC, PHOTOCHEMICAL OR CHEMILUMINESCENT PROPERTIES; AND FINALLY, ESTABLISH CONNECTIONS BETWEEN PHOTOQUIMICA AND CHEMILUMINESCENCE. TO DO THIS, WE WILL USE CUTTING-EDGE TOOLS OF COMPUTATIONAL PHOTOQUIMICA, IN PARTICULAR, DESCRIPTIONS MAINLY WITH STATIC MODELS, USING THE MULTIREFERENCE METHODS CASPT2 AND RASPT2 MULTICONFIGURATIONAL AND STRATEGIES FOR THE PRECISE DETERMINATION OF THERMAL AND PHOTOCHEMICAL REACTION PATHS BASED ON CALCULATIONS OF MINIMUM ENERGY PATHS AND ON THE LOCALISATION OF THE RELEVANT STRUCTURES THAT ALLOW INTERNAL CONVERSION PROCESSES AND CROSS BETWEEN SYSTEMS. THESE STUDIES WILL BE COMPLETED, IN THE REQUIRED CASES, WITH DYNAMIC SIMULATIONS THAT ALLOW TO OBTAIN HALF-LIFE TIMES AND POPULATION DISTRIBUTIONS. THE RESULTS OBTAINED WILL BE OF GREAT RELEVANCE IN THE FIELD OF DNA/RNA DAMAGE, THE DESIGN OF PHARMACOS IN DYNAMIC PHOTOTHERAPY, THE DEVELOPMENT OF NEW TECHNIQUES TO ACHIEVE TYPICAL REACTIVITY OF THE STATE EXCITED BY THE USE OF CHEMILUMINESCENT AGENTS INSTEAD OF RADIATION AND TO PROVIDE LIGHT ON THE ROLE OF WATER IN BIOLOGICAL AND NANOTECHNOLOGICAL PROCESSES, BEYOND SOLVATACION. (English)
 
Property / summary: WE PROPOSE THE STUDY, WITH THE SAME THEORETICAL APPROACH, OF PHOTOCHEMICAL MECHANISMS, CHEMILUMINESCENCE AND THE EFFECTS OF WATER AGGREGATES IN BIOLOGICAL SYSTEMS AND APPLICATION IN NANOTECHNOLOGY. IT IS INTENDED, FIRST OF ALL, TO ADVANCE THE UNDERSTANDING OF THE MOLECULAR BASES OF PHOTOSTABILITY AND FORMATION OF LESIONS, PHOTOINDUCED OR BY REACTIVITY WITH ENDOGENOUS OR EXOGENOS AGENTS, IN NUCLEIC ACIDS; SECONDLY, TO DETERMINE EFFICIENT TRIPLET POPULATION MECHANISMS AND PHOTOSENSITISATION; THIRDLY, TO ESTABLISH RELATIONSHIPS BETWEEN ORGANIC, INORGANIC OR FORMATIONS OF WATER AGGREGATES AND SPECTROSCOPIC, PHOTOCHEMICAL OR CHEMILUMINESCENT PROPERTIES; AND FINALLY, ESTABLISH CONNECTIONS BETWEEN PHOTOQUIMICA AND CHEMILUMINESCENCE. TO DO THIS, WE WILL USE CUTTING-EDGE TOOLS OF COMPUTATIONAL PHOTOQUIMICA, IN PARTICULAR, DESCRIPTIONS MAINLY WITH STATIC MODELS, USING THE MULTIREFERENCE METHODS CASPT2 AND RASPT2 MULTICONFIGURATIONAL AND STRATEGIES FOR THE PRECISE DETERMINATION OF THERMAL AND PHOTOCHEMICAL REACTION PATHS BASED ON CALCULATIONS OF MINIMUM ENERGY PATHS AND ON THE LOCALISATION OF THE RELEVANT STRUCTURES THAT ALLOW INTERNAL CONVERSION PROCESSES AND CROSS BETWEEN SYSTEMS. THESE STUDIES WILL BE COMPLETED, IN THE REQUIRED CASES, WITH DYNAMIC SIMULATIONS THAT ALLOW TO OBTAIN HALF-LIFE TIMES AND POPULATION DISTRIBUTIONS. THE RESULTS OBTAINED WILL BE OF GREAT RELEVANCE IN THE FIELD OF DNA/RNA DAMAGE, THE DESIGN OF PHARMACOS IN DYNAMIC PHOTOTHERAPY, THE DEVELOPMENT OF NEW TECHNIQUES TO ACHIEVE TYPICAL REACTIVITY OF THE STATE EXCITED BY THE USE OF CHEMILUMINESCENT AGENTS INSTEAD OF RADIATION AND TO PROVIDE LIGHT ON THE ROLE OF WATER IN BIOLOGICAL AND NANOTECHNOLOGICAL PROCESSES, BEYOND SOLVATACION. (English) / rank
Normal rank
 
Property / summary: WE PROPOSE THE STUDY, WITH THE SAME THEORETICAL APPROACH, OF PHOTOCHEMICAL MECHANISMS, CHEMILUMINESCENCE AND THE EFFECTS OF WATER AGGREGATES IN BIOLOGICAL SYSTEMS AND APPLICATION IN NANOTECHNOLOGY. IT IS INTENDED, FIRST OF ALL, TO ADVANCE THE UNDERSTANDING OF THE MOLECULAR BASES OF PHOTOSTABILITY AND FORMATION OF LESIONS, PHOTOINDUCED OR BY REACTIVITY WITH ENDOGENOUS OR EXOGENOS AGENTS, IN NUCLEIC ACIDS; SECONDLY, TO DETERMINE EFFICIENT TRIPLET POPULATION MECHANISMS AND PHOTOSENSITISATION; THIRDLY, TO ESTABLISH RELATIONSHIPS BETWEEN ORGANIC, INORGANIC OR FORMATIONS OF WATER AGGREGATES AND SPECTROSCOPIC, PHOTOCHEMICAL OR CHEMILUMINESCENT PROPERTIES; AND FINALLY, ESTABLISH CONNECTIONS BETWEEN PHOTOQUIMICA AND CHEMILUMINESCENCE. TO DO THIS, WE WILL USE CUTTING-EDGE TOOLS OF COMPUTATIONAL PHOTOQUIMICA, IN PARTICULAR, DESCRIPTIONS MAINLY WITH STATIC MODELS, USING THE MULTIREFERENCE METHODS CASPT2 AND RASPT2 MULTICONFIGURATIONAL AND STRATEGIES FOR THE PRECISE DETERMINATION OF THERMAL AND PHOTOCHEMICAL REACTION PATHS BASED ON CALCULATIONS OF MINIMUM ENERGY PATHS AND ON THE LOCALISATION OF THE RELEVANT STRUCTURES THAT ALLOW INTERNAL CONVERSION PROCESSES AND CROSS BETWEEN SYSTEMS. THESE STUDIES WILL BE COMPLETED, IN THE REQUIRED CASES, WITH DYNAMIC SIMULATIONS THAT ALLOW TO OBTAIN HALF-LIFE TIMES AND POPULATION DISTRIBUTIONS. THE RESULTS OBTAINED WILL BE OF GREAT RELEVANCE IN THE FIELD OF DNA/RNA DAMAGE, THE DESIGN OF PHARMACOS IN DYNAMIC PHOTOTHERAPY, THE DEVELOPMENT OF NEW TECHNIQUES TO ACHIEVE TYPICAL REACTIVITY OF THE STATE EXCITED BY THE USE OF CHEMILUMINESCENT AGENTS INSTEAD OF RADIATION AND TO PROVIDE LIGHT ON THE ROLE OF WATER IN BIOLOGICAL AND NANOTECHNOLOGICAL PROCESSES, BEYOND SOLVATACION. (English) / qualifier
point in time: 13 October 2021
Timestamp+2021-10-13T00:00:00Z
Timezone+00:00
CalendarGregorian
Precision1 day
Before0
After0
 

Revision as of 23:50, 12 October 2021

Project Q3194092 in Spain
Language Label Description Also known as
English
PHOTOQUIMICA AND COMPUTATIONAL CHEMILUMINESCENCE OF MOLECULAR SYSTEMS OF BIOLOGICAL INTEREST AND NANOTECNOLOGICAL
Project Q3194092 in Spain

    Statements

    country
    Spain
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    EU contribution
    47,190.0 Euro
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    budget
    94,380.0 Euro
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    co-financing rate
    50.0 percent
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    start time
    1 January 2015
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    end time
    31 December 2016
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    beneficiary name (string)
    UNIVERSIDAD DE VALENCIA
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    coordinate location

    39°30'14.11"N, 0°26'31.56"W
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    postal code
    46190
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    summary
    SE PROPONE EL ESTUDIO, CON UN MISMO ENFOQUE TEORICO, DE MECANISMOS FOTOQUIMICOS, DE QUIMIOLUMINISCENCIA Y DE LOS EFECTOS DE AGREGADOS DE AGUA EN SISTEMAS BIOLOGICOS Y DE APLICACION EN NANOTECNOLOGIA. SE PRETENDE, EN PRIMER LUGAR, AVANZAR EN LA COMPRENSION DE LAS BASES MOLECULARES DE LOS PROCESOS DE FOTOESTABILIDAD Y FORMACION DE LESIONES, FOTOINDUCIDAS O POR REACTIVIDAD CON AGENTES ENDOGENOS O EXOGENOS, EN LOS ACIDOS NUCLEICOS; EN SEGUNDO LUGAR, DETERMINAR MECANISMOS EFICIENTES DE POBLACION DE TRIPLETE Y FOTOSENSITIZACION; EN TERCER LUGAR, ESTABLECER RELACIONES ENTRE GRUPOS FUNCIONALES ORGANICOS, INORGANICOS O CONFORMACIONES DE AGREGADOS DE AGUA Y PROPIEDADES ESPECTROSCOPICAS, FOTOQUIMICAS O QUIMIOLUMINISCENTES; Y FINALMENTE, ESTABLECER CONEXIONES ENTRE FOTOQUIMICA Y QUIMIOLUMINISCENCIA. PARA ELLO, EMPLEAREMOS HERRAMIENTAS PUNTERAS DE LA FOTOQUIMICA COMPUTACIONAL, EN CONCRETO, DESCRIPCIONES PRINCIPALMENTE CON MODELOS ESTATICOS, USANDO LOS METODOS MULTIREFERENCIA MULTICONFIGURACIONALES CASPT2 Y RASPT2 Y ESTRATEGIAS DE DETERMINACION PRECISA DE CAMINOS DE REACCION TERMICOS Y FOTOQUIMICOS BASADAS EN CALCULOS DE CAMINOS DE MINIMA ENERGIA Y EN LA LOCALIZACION DE LAS ESTRUCTURAS RELEVANTES QUE PERMITEN PROCESOS DE CONVERSION INTERNA Y CRUCE ENTRE SISTEMAS. DICHOS ESTUDIOS SE COMPLETARAN, EN LOS CASOS REQUERIDOS, CON SIMULACIONES DINAMICAS QUE PERMITAN OBTENER TIEMPOS DE VIDA MEDIA Y DISTRIBUCIONES DE POBLACION. LOS RESULTADOS OBTENIDOS VAN A SER DE GRAN RELEVANCIA EN EL CAMPO DEL DAÑO AL ADN/ARN, EL DISEÑO DE FARMACOS EN FOTOTERAPIA DINAMICA, EL DESARROLLO DE NUEVAS TECNICAS PARA CONSEGUIR REACTIVIDAD TIPICA DEL ESTADO EXCITADO MEDIANTE EL USO DE AGENTES QUIMIOLUMINISCENTES EN VEZ DE RADIACION Y PARA APORTAR LUZ SOBRE EL PAPEL DEL AGUA EN PROCESOS BIOLOGICOS Y NANOTECNOLOGICOS, MAS ALLA DE LA SOLVATACION. (Spanish)
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    location (string)
    Paterna
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    Identifiers

    Spanish Kohesio ID
    CTQ2014-58624-P
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