Theoretical Characterization of a Tridentate Photochromic Pt(II) Complex Using Density Functional Theory Methods.

Density functional theory methods have been used to characterize a tridentate photochromic Pt(II) complex [Pt(AAA)Cl], its acetonitrile complex [Pt(AAA)Cl·CH3CN], and the transition state in the complexation reaction. B3LYP/6-31G* (effective core potential for Pt) optimized geometries of Pt(AAA)Cl and Pt(AAA)Cl·CH3CN are found to be in reasonably good agreement with most of the applicable parameters for the available experimental crystal structures of Pt(AAA)Cl and a Pt(AAA)Cl-triphenylphoshine complex, with the exception of one of the dihedral angles, the deviation of which is determined to be due to a steric cis versus trans effect. Vibrational frequencies are calculated for Pt(AAA)Cl and cis-Pt(AAA)Cl·CH3CN, and the predicted shift in the benzaldehyde carbonyl frequency is found to be in line with that observed experimentally.

The One-Minute Preceptor: a five-step tool to improve clinical teaching skills.

The One-Minute Preceptor (OMP) is a teaching tool that has been used successfully for over 10 years in family practice residency programs. It was designed to enhance the teaching skills of physicians involved in the clinical education of new residents. This article describes the five steps of the OMP and how it was taught to a group of nurse preceptors and reports their evaluations of the impact that this education had on their ability to instruct and offer feedback to the novice nurse.

Susceptibility of zebra fish Danio rerio to infection by Flavobacterium columnare and F. johnsoniae.

Flavobacterium columnare is a serious pathogen in a wide range of fish species. F. johnsoniae is an opportunistic pathogen of certain fish.

Experimental evidence for molecular chaos in granular gases.

We present measurements showing the presence and the absence of molecular chaos in a two-layer vertically vibrated granular media where a plate drives a horizontal layer of massive grains, which, in turn, drives a second horizontal layer of lighter grains above the first. In the first layer driven by the plate, the velocities are spatially correlated. In the second layer, we find uncorrelated velocities consistent with the presence of molecular chaos.

Doctors' service orientation in public, private, and foreign hospitals.

Purpose: The purpose of this study is to propose a doctors' service orientation (DSO) scale and uses it to compare the services received in public, private and foreign hospitals in a developing country from the patient's perspective.

Design/methodology/approach: The scale was derived from the service quality literature and qualitative research. A questionnaire was designed next.

Stick-and-diffuse and caged diffusion: a comparison of two models of synaptic vesicle dynamics.

Two models were recently proposed to enable us to understand the dynamics of synaptic vesicles in hippocampal neurons. In the caged diffusion model, the vesicles diffuse in small circular cages located randomly in the bouton, while in the stick-and-diffuse model the vesicles bind and release from a cellular cytomatrix. In this article, we obtain analytic expressions for the fluorescence correlation spectroscopy (FCS) autocorrelation function for the two models and test their predictions against our earlier FCS measurements of the vesicle dynamics.

Idiopathic intracranial hypertension and transverse sinus stenosis: a modelling study.

Idiopathic intracranial hypertension (IIH) is a syndrome of unknown etiology characterized by elevated intracranial pressure (ICP). Although a stenosis of the transverse sinus has been observed in many IIH patients, the role this feature plays in IIH is in dispute. In this paper, a lumped-parameter model is developed for the purpose of analytically investigating the elevated pressures associated with IIH and a collapsible transverse sinus.

Theoretical study of the benzene excimer using time-dependent density functional theory.

A theoretical characterization of the potential energy surfaces of the singlet benzene excimer states derived from the B2u monomer excited state has been performed using time-dependent density functional theory. The excited-state potential energy surfaces were initially characterized by computations along the parallel and perpendicular intermolecular translational coordinates. These calculations predict that the lowest excited state for parallel translation is bound with a minimum at 3.

Antenna impedance matching with neural networks.

Impedance matching between transmission lines and antennas is an important and fundamental concept in electromagnetic theory. One definition of antenna impedance is the resistance and reactance seen at the antenna terminals or the ratio of electric to magnetic fields at the input. The primary intent of this paper is real-time compensation for changes in the driving point impedance of an antenna due to frequency deviations.

Cyclization of Rouse chains at long- and short-time scales.

We have investigated cyclization of a Rouse chain at long and short times by a Langevin dynamics simulation method. We measure St, the fraction of nonreacted chains, for polymerizations ranging from Z=5 to Z=800 and capture distances ranging from a=0.1b to a=8b where b is the bond length.

Modeling steady-state intracranial pressures in supine, head-down tilt and microgravity conditions.

Introduction: The effects of microgravity are often simulated by head-down tilt (HDT). While data exist for intracranial pressure (ICP) during short-term HDT, no corresponding data exist for long-term exposure to HDT or microgravity. A mathematical model was developed to predict these unknown long-term responses.

Theory of hydrogen-related metastability in disordered silicon.

Density functional electronic structure calculations are employed to examine hydrogen for a variety of configurations in silicon. A novel complex is found for hydrogen in amorphous silicon. The complex involves the breaking of a weak silicon bond to form two Si-H bonds with both hydrogens in between the original silicon atoms.

Looking for planetary moons in the spectra of distant Jupiters.

More than 100 nearby stars are known to have at least one Jupiter-sized planet. Whether any of these giant gaseous planets has moons is unknown, but here we suggest a possible way of detecting Earth-sized moons with future technology. The planned Terrestrial Planet Finder observatory, for example, will be able to detect objects comparable in size to Earth.

Possibilities for the detection of microbial life on extrasolar planets.

We consider possibilities for the remote detection of microbial life on extrasolar planets. The Darwin/Terrestrial Planet Finder (TPF) telescope concepts for observations of terrestrial planets focus on indirect searches for life through the detection of atmospheric gases related to life processes. Direct detection of extraterrestrial life may also be possible through well-designed searches for microbial life forms.

Potential for using a digital micromirror device as a signal multiplexer in visible spectroscopy.

A digital micromirror device (DMD) was tested to demonstrate its potential as a multiplexing device for the simultaneous detection of visible electromagnetic radiation. Using a Visual Basic program, four sections of the DMD were illuminated by a light source and each region of mirrors was modulated at different low frequencies (14.92, 20.

ERP and behavioral evidence of individual differences in metaphor comprehension.

In two experiments, we examined individual differences in metaphor processing. In Experiment 1, the subjects judged the literal truth of literal, metaphorical, and scrambled sentences. Overall, metaphors were more difficult to judge as false, in comparison with scrambled controls, suggesting that the metaphorical meaning was being processed automatically.

The rotating bucket of sand: Experiment and theory.

The surface shape of a bucket of sand rotating about its cylindrical axis is studied experimentally and theoretically. Focusing on fast time scales on which surface shape is determined by avalanches, we identify three regimes of behavior. At intermediate and high frequencies, the surface shape is always at its critical shape determined by the Coulomb yield condition.

Multipurpose senior centers: opportunities for community health nursing.

Nationally, almost 10 million older Americans are served by approximately 12,000 multipurpose senior centers (MSCs). Among those over age 65, 15% attended an MSC in the previous year. We can expect that the number of older Americans attending MSCs will increase as our population ages.

A differentiable, periodic function for pulsatile cardiac output based on heart rate and stroke volume.

Many mathematical models of human hemodynamics, particularly those which describe pressure and flow pulses throughout the circulatory system, require as specified input a modeling function which describes cardiac output in terms of volume per unit time. To be realistic, this cardiac output function should capture, to the greatest extent possible, all relevant features observed in measured physical data. For model analysis purposes, it is also highly desirable to have a model function that is continuous, differentiable, and periodic.

The effects of hand preference side and hand preference switch history on measures of psychological and physical well-being and cognitive performance in a sample of older adult right-and left-handers.

Claims have been made that left-handedness often arises from pathological causes, and that owing to this underlying pathology, the presence of sinistrality may entail disadvantages for both the length and quality of life. A prime implication of these claims is that left-handers, as a group, should display signs of poorer fitness than right-handers. This poorer fitness might take the form of an increased incidence of illnesses and/or accidents.

The arrangement of resources in patchy landscapes: effects on distribution, survival, and resource acquisition of chironomids.

The spatial arrangement of resources in patchy habitats influences the distribution of individuals and their ability to acquire resources. We used Chironomus riparius, a ubiquitous aquatic insect that uses leaf particles as an important resource, to ask how the dispersion of resource patches influences the distribution and resource acquisition of mobile individuals in patchy landscapes. Two experiments were conducted in replicated laboratory landscapes (38×38 cm) created by arranging sand and leaf patches in a 5×5 grid so that the leaf patches were either aggregated or uniformly dispersed in the grid.

Low-latitude glaciation and rapid changes in the Earth's obliquity explained by obliquity-oblateness feedback.

Palaeomagnetic data suggest that the Earth was glaciated at low latitudes during the Palaeoproterozoic (about 2.4-2.2 Gyr ago) and Neoproterozoic (about 820-550 Myr ago) eras, although some of the Neoproterozoic data are disputed.

Old/new differences in direct and indirect memory tests using pictures and words in within- and cross-form conditions: event-related potential and behavioral measures.

Indirect measures of repetition priming are more sensitive to changes in surface features than are direct measures of memory. This dissociation may reflect differences in the extent to which the two tasks rely on form-specific processes, or on the activation of different memory systems. To assess this, subjects at study made semantic discriminations to a mixed list of pictures and words.