ABSTRACT
A Quantitative Structure Activity Relationship (QSAR) model was developed in order to predict the adipose/blood partition coefficient of environmental chemical compounds. The first step of QSAR modeling was the collection of inputs. Input data included the experimental values of adipose/blood partition coefficient and two sets of molecular descriptors for 67 organic chemical compounds; a) the descriptors from Linear Free Energy Relationship (LFER) and b) the PaDEL descriptors. The datasets were split to training and prediction set and were analysed using two statistical methods; Genetic Algorithm based Multiple Linear Regression (GA-MLR) and Artificial Neural Networks (ANN). The models with LFER and PaDEL descriptors, coupled with ANN, produced satisfying performance results. The fitting performance (R2) of the models, using LFER and PaDEL descriptors, was 0.94 and 0.96, respectively. The Applicability Domain (AD) of the models was assessed and then the models were applied to a large number of chemical compounds with unknown values of adipose/blood partition coefficient. In conclusion, the proposed models were checked for fitting, validity and applicability. It was demonstrated that they are stable, reliable and capable to predict the values of adipose/blood partition coefficient of "data poor" chemical compounds that fall within the applicability domain.
Subject(s)
Adipose Tissue/drug effects , Blood/drug effects , Environmental Pollutants/chemistry , Adipose Tissue/chemistry , Adipose Tissue/metabolism , Adiposity/drug effects , Blood/metabolism , Blood Chemical Analysis , Environmental Pollutants/pharmacology , Humans , Neural Networks, Computer , Organic Chemicals/chemistry , Organic Chemicals/pharmacology , Quantitative Structure-Activity RelationshipABSTRACT
The Day Center (DC) of EPAPSI (Scientific Association for Regional Development and Mental Health) offers complete psycho-social interventions for the psyhotic patients of the 5th Psychiatric Sector, in order to prevent them from relapsing, helps reduce hospitalisation and also works towards psychological and vocational rehabilitation; always aiming at improving the quality of patients' life. Working towards the continuum of care of its patients, the DC applies innovative practises such as: the creation of a community-based supportive network, the running of social clubs, participation in European Programmes concerning the social and vocational rehabilitation of patients, creation of KoiSPE (Limited Liability Social Co-operatives) in co-operation with the Local Authorities, application of new methods of caring and curing, involving the patients in co-running the "therapeutic contract". The successful application of "community psychiatry" and the continuation of psychiatric reform will be accommodated with the contribution and co-operation of "communal" services and the wider public sector as well as the application of new and pioneering programmes.
ABSTRACT
Endocarditis is a rare manifestation of Yersinia enterocolitica infection. The case of a 45-year-old man who presented with high fever and in whom prosthetic valve Yersinia enterocolitica endocarditis was diagnosed is described. The patient was successfully treated with ceftriaxone plus tobramycin, as proved by negative cultures of the prosthesis removed at the end of therapy. Including the patient reported, only 12 cases of Yersinia enterocolitica endocarditis have been published to date, two of which describe prosthetic cardiac valve endocarditis. The clinical characteristics do not distinguish septicemia from involvement limited to the cardiac valves. Diagnosis, however, has been improved by progress in echocardiography. Prognosis is grave but can be ameliorated if appropriate antimicrobial agents are administered, i.e. the combination of a third-generation cephalosporin plus an aminoglycoside. Fluroquinolones may also constitute an attractive therapeutic alternative.
