POTLIB 2001: A potential energy surface library for chemical systems

POTLIB 2001 is a computer program library of global chemical potential energy surface (PES) functions (91 functions in version 1.0) along with test data, a suite of utility programs, and a convenient user interface. The PES programs are written in ANSI standard FORTRAN77 and can be used to determine the Born-Oppenheimer potential energy of chemical systems as a function of the internal coordinates. The accompanying test data allow users to verify local implementations of this library. Finally, the utility programs permit use of this library in conjunction with a variety of chemical dynamics and chemical kinetics computer codes. Interface routines are provided for the POLYRATE and ABCRATE program packages of Truhlar and co-workers, the VENUS96 program package of Hase and co-workers, and the VARIFLEX program package of Klippenstein and co-workers; the routines in this library can also be used in conjunction with the DYNASOL program package of Zhang and co-workers. This article describes the library and the utility programs and outlines the systematic conventions used for interfaces in the computer programs contained in the library. Adherence to these conventions will allow future PESs to be compatible with this library.     

Dexamethasone concentration in vitreous and serum after oral administration

OBJECTIVE: To assess the outcomes of changes in mental health policy introduced in Italy in 1978. METHODS: Data on psychiatric services, before and after the policy change, are presented. Effects of change are evaluated through indicators related to four issues: transfer of care, criminalisation of the mentally ill, suicides, and homelessness. RESULTS: Admissions of new patients to mental hospitals have been stopped and the size of the mental hospital population is now very low (26 per 100,000 population). Psychiatric care has been shifted to community services including general hospital psychiatric units. There has been an overall reduction of psychiatric hospitalisation. However, the provision of residential facilities is inadequate and community services are unevenly distributed across the country. Few negative effects of changing patterns of care have been reported, although the low quality of data limits the validity of such a conclusion. Outcome of care in areas where the full range of community services is available has been rated as satisfactory. CONCLUSIONS: Although care of the mentally ill has been shifted to community services, we lack hard data on the social and clinical outcome of community care at the nation-wide level. Long-term monitoring and evaluation of community services is a high priority in Italy.     

An Overview of Progress in the Design And Implementation of Landsat-D Systems

Landsat-D will be launched in late 1981 or early 1982 into a Sun-synchronous orbit near 700 km. Landsat-D systems and the principal observing instrument, the Thematic Mapper, are being designed and implemented to provide a significantly improved Earth-resources monitoring capability. The Thematic Mapper will have seven spectral bands (0.45-0.52, 0.52-0.60, 0.63-0.69, 0.76-0.90, 1.55-1.75, 2.08-2.35, and 10.5-12.5 ?m), with an instantaneous field of view at nadir of 30 m except for the thermal band (120 m). The data from the Thematic Mapper and other Landsat-D flight segment systems will be relayed to the Landsat-D ground data processing system using a direct readout capability or the Tracking and Data Relay Satellite System and communications satellites. The ground systems will process the data as it arrives at rates up to 100 Mbit/s and a total volume of 2.6 × 1011 bit/day into standard digital and photographic products within 48 hours of data acquisition. This includes 200 Multispectral Scanner Subsystem and 100 Thematic Mapper scenes per day. The Thematic Mapper increased spatial, spectral, and radiometric resolution should be of primary benefit in agricultural and vegetation surveys, but substantial improvements in resource and land cover observations for geology, land use, and water resources applications are also to be anticipated.     

Surface markers of human eosinophils

Peripheral blood eosinophils from patients with eosinophilia and from healthy subjects were studied for surface immunoglobulins, receptors for the Fc region of IgG, complement receptors, and spontaneous rosette formation with sheep and mouse erythrocytes. Eosinophils were found to have receptors for complement and for aggregated IgG, and to have the same two types of complement receptors as do lymphocytes and monocytes. Immune adherence type receptors were specific for C4 or C3b, while C3d receptors were specific for C3d but unreactive with C4. Eosinophils differed from fully mature neutrophils in that the former had C3d receptors and relatively weak immune adherence (C4 or C3b) receptors, while the later did not have the C3d receptors and had strong immune adherence receptors. Eosinophil phagocytosis of complement-receptor bound erythrocytes was dependent on the presence of IgG in the antibody coating the red blood cells; this requirement for IgG resembled that found in neutrophil phagocytosis. No surface Ig or spontaneous erythrocyte rosette formation was observed with eosinophils.