Explanation of Benveniste

SCOPUS: le.jinfo:eu-repo/semantics/publishe

Pisa: A new model for the estimation of intermolecular interaction energies in the liquid state

We propose a new model for the estimation of intermolecular interaction energies in the liquid state. This model, which we call PISA, is especially devoted to the calculation of the London‐Pauli contribution. The model has been tested on a large ensemble of pure liquids and the results compare well with those obtained by molecular dynamics and Monte‐Carlo simulations. The advantages of PISA are its simplicity and rapidity. Copyright © 1988 Wiley‐VCH Verlag GmbH & Co. KGaA, WeinheimSCOPUS: ar.jinfo:eu-repo/semantics/publishe

New method for the estimation of interaction energies in Lennard-Jones pure liquids and solutions

A new theoretical model is proposed for the estimation of interaction energies in pure liquids as well as in dilute binary solutions, with particular emphasis on the London and Pauli contributions to the interaction energy. Basically, interaction energies are calculated as the sum of pair interactions between two molecules, with the average over all pair interactions being effected with the aid of a simplified pair distribution function. The method is tested on a large ensemble of pure liquids and dilute organic solutions. It is shown that this model, called PISA (pair interaction structureless approximation), is very efficient for liquids and solutions in which the intermolecular interactions are dominated by the London-Pauli contribution.SCOPUS: ar.jinfo:eu-repo/semantics/publishe

A multicentre survey of antimicrobial resistance in Gram-negative isolates from Belgian intensive care units in 1994-1995

The aim of this prospective study was to evaluate the distribution and antibiotic susceptibility of aerobic Gram-negative bacilli isolated from patients in intensive care units in 18 Belgian hospitals during 1994 and 1995. A standardised method (i.e. the E-test) was used in each center to determine the minimum inhibitory concentrations of 12 major antibiotics against 1435 consecutive, non duplicate, Gram-negative isolates (close to 100 strains per hospital) during a period of 6 months. The isolates were mainly isolated from the lower respiratory tract (57.4%), urinary tract (17.7%), pus (7.9%) or blood specimens (7.8%) and were mainly P. aeruginosa (20.3%), E. coli (19.9%) and Enterobacter spp. (12.6%). Overall inducible Enterobacteriaceae (IE) accounted for 29.8% of all isolates, and E. aerogenes was the most frequently isolated species in this group (27.6%). The overall susceptibility rate (all species confounded) was about 70% to piperacillin, ticarcillin-clavulanic acid and ceftriaxone, 78% to piperacillin-tazobactam; 87% both to ceftazidime and to ciprofloxacin; and 90% to imipenem. Widespread resistance was observed in several IE species to third generation cephalosporins, broad-spectrum penicillins and to ciprofloxacin. By contrast, imipenem and the aminoglycosides still retained excellent activity against most multiresistant species. Although there were wide differences between hospitals in the frequencies of resistance to most antibiotics, these were not related to the types (general vs. university) of hospitals or to the number of beds. Some variations were however observed in the distribution of bacterial species: the prevalence of inducible Enterobacteriaceae was significantly higher in university than in general hospitals and in hospitals located in Brussels and in Wallonia than in the Flanders. Overall few trends in resistance rates were observed in comparison to a similar survey performed in 1991.SCOPUS: ar.jinfo:eu-repo/semantics/publishe