RESUMO
XUV photoelectron spectroscopy (XPS) is a powerful method for investigating the electronic structures of molecules. However, the correct interpretation of results in the condensed phase requires theoretical models that account for solvation. Here we present experimental aqueous-phase XPS of two organic biomimetic molecular switches, NAIP and p-HDIOP. These switches are structurally similar, but have opposite charges and thus present a stringent benchmark for solvation models which need to reproduce the observed ΔeBE = 1.1 eV difference in electron binding energy compared to the 8 eV difference predicted in the gas phase. We present calculations using implicit and explicit solvent models. The latter employs the average solvent electrostatic configuration and free energy gradient (ASEC-FEG) approach. Both nonequilibrium polarizable continuum models and ASEC-FEG calculations give vertical binding energies in good agreement with the experiment for three different computational protocols. Counterions, explicitly accounted for in ASEC-FEG, contribute to the stabilization of molecular states and reduction of ΔeBE upon solvation.
RESUMO
The early organic mental disorder, caused by the human immunodeficiency virus type 1 (HIV) in the drug dependents (DD), if it is not taken into account, can disturb the diagnosis of the neuropsychiatric and the toxic disorders. The authors attempt to outline, with several neuropsychological tests (visuo-perceptual, memory, attention) and with the physical and neurologic exploration, if cognitive abnormalities are present in two groups of DD after detoxification period. The first group is infected by the HIV (n: 48), and the second one is not (n: 33). Differences can be found only in the Bender visuo-perceptual test, which are not justified by the divergences found between the groups about the drug dependence history and the present drug of abuse intake. The importance of the early diagnosis of these abnormalities is argued in order to get a suitable treatment of the possible neuropsychiatric complications in the DD development, and restrain the extent of the cognitive damage by HIV infection.
Assuntos
Complexo AIDS Demência/diagnóstico , Transtornos Cognitivos/diagnóstico , Infecções por HIV/psicologia , Abuso de Substâncias por Via Intravenosa/psicologia , Adulto , Transtornos Cognitivos/complicações , Diagnóstico Diferencial , Feminino , Infecções por HIV/sangue , Infecções por HIV/complicações , Dependência de Heroína/complicações , Dependência de Heroína/psicologia , Humanos , Masculino , Memória , Exame Neurológico , Testes Neuropsicológicos , Abuso de Substâncias por Via Intravenosa/sangue , Abuso de Substâncias por Via Intravenosa/complicações , Testes Visuais , Percepção VisualRESUMO
This study constitutes an attempt to analyze the relationship between different characteristics of social support and mental illness. The subjects of the retrospective study were 164 consecutive admissions to the Short Hospitalization Unit of Area 3 during 1989, aged 15-65, who met ICD-9 diagnosis criteria for: Affective Disorders, Schizophrenic Psychosis, Psychogenic psychosis, and Alcoholic Dependence. Social Support was assessed using different characteristics of family system (marriage, familiar network size, level of expressed emotion), social network, and instrumental functioning.
Assuntos
Transtornos Mentais/psicologia , Apoio Social , Adolescente , Adulto , Idoso , Grupos Diagnósticos Relacionados , Escolaridade , Família , Feminino , Hospitalização , Humanos , Tempo de Internação , Masculino , Transtornos Mentais/terapia , Pessoa de Meia-Idade , Unidade Hospitalar de Psiquiatria , Estudos Retrospectivos , Fatores SocioeconômicosRESUMO
The present study investigate several socio-demographics, clinical and therapeutics factors that converge in the emergencies of the Psychiatric Hospital of Madrid on June, 1989 and 1990. Also, the study approach the changes about the demand of attendance, experienced by these emergencies during the period 1979-1990, related to the introduction of a sectorized care organization through the comparison with similar studies realize in the same Hospital. Is studied the function of these changes in the progressive reordering of the population demand.