How the unit cell surface charge distribution affects the energetics of ion–solvent interactions in simulations

The evaluation of the electrostatic potential in condensed phase simulations normally includes an ‘‘extrinsic’’ contribution that manifests natural imbalances in the surface charge distribution of the microscopic unit cell. Most directly affected are ion–solvent interaction energies, and depending on whether the specific simulation conditions eliminate the extrinsic potential or not, these energies can vary by a considerable amount. This is illustrated by examining simulations of dilute aqueous solutions of Cl− and Fe2+ that use either a cutoff scheme or Ewald summation. It is found that the ion–water potential energy can vary with the type of boundary condition by as much as ≊60 kJ mol−1 for Cl− and ≊800 kJ mol−1 for Fe2+. The difference is exclusively due to the extrinsic potential effect and it is easy to calculate an appropriate correction term.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/70827/2/JCPSA6-101-6-5024-1.pd

Daily Increment Formation in Otoliths of the Redspotted Sunfish

To generate reliable age information for fishes, we must assess the robustness of techniques to environmental variation. We quantified daily ring deposition within the sagittal otoliths of known-age larval and juvenile redspotted sunfish Lepomis miniatus reared in ponds. We also determined how daily light : dark cycles mimicking natural conditions, reduced daylight, or constant daylight affected ring deposition in fish housed in aquaria. Additionally, we quantified how constant temperature (26°C), low daily variability in temperature (26 ± 1°C), and high daily variability (26 ± 2°C) affected production of daily rings. In pond-reared fish, the first increment was produced by the evening of hatch, and increment deposition occurred with 24-h periodicity through 119 d. Independent age estimates from two readers closely agreed. Photocycle and temperature variation did not affect periodicity of increment formation or the precision and accuracy of age estimates. Age and growth data can be reliably determined in this species to assess recruitment dynamics and develop management and conservation strategies

Large-volume lava flow fields on Venus: Dimensions and morphology

Of all the volcanic features identified in Magellan images, by far the most extensive and really important are lava flow fields. Neglecting the widespread lava plains themselves, practically every C1-MIDR produced so far contains several or many discrete lava flow fields. These range in size from a few hundred square kilometers in area (like those fields associated with small volcanic edifices for example), through all sizes up to several hundred thousand square kilometers in extent (such as many rift related fields). Most of these are related to small, intermediate, or large-scale volcanic edifices, coronae, arachnoids, calderas, fields of small shields, and rift zones. An initial survey of 40 well-defined flow fields with areas greater than 50,000 sq km (an arbitrary bound) has been undertaken. Following Columbia River Basalt terminology, these have been termed great flow fields. This represents a working set of flow fields, chosen to cover a variety of morphologies, sources, locations, and characteristics. The initial survey is intended to highlight representative flow fields, and does not represent a statistical set. For each flow field, the location, total area, flow length, flow widths, estimated flow thicknesses, estimated volumes, topographic slope, altitude, backscatter, emissivity, morphology, and source has been noted. The flow fields range from about 50,000 sq km to over 2,500,000 sq km in area, with most being several hundred square kilometers in extent. Flow lengths measure between 140 and 2840 km, with the majority of flows being several hundred kilometers long. A few basic morphological types have been identified

Grief, Bereavement, and Positive Psychology

What does positive psychology have to offer people who are grieving? We explore this question in depth and consider how viewing bereavement and grief through the lens of positive psychology can help to normalize the grieving process and encourage the use of effective coping approaches. We provide research evidence in support of narrative reconstruction, posttraumatic growth, positive emotions, and spirituality as means to help survivors of loss to adjust and even to gain a new sense of meaning. We provide practical suggestions for individuals who are grieving and for those who are in relationship with them

Comorbidity, Pain, Utilization, and Psychosocial Outcomes in Older versus Younger Sickle Cell Adults: The PiSCES Project

Background. Patients with SCD now usually live well into adulthood. Whereas transitions into adulthood are now often studied, little is published about aging beyond the transition period. We therefore studied age-associated SCD differences in utilization, pain, and psychosocial variables. Methods. Subjects were 232 adults in the Pain in Sickle Cell Epidemiology Study (PiSCES). Data included demographics, comorbidity, and psychosocial measures. SCD-related pain and health care utilization were recorded in diaries. We compared 3 age groups: 16–25 (transition), 26–36 (younger adults), and 37–64 (older adults) years. Results. Compared to the 2 adult groups, the transition group reported fewer physical challenges via comorbidities, somatic complaints, and pain frequency, though pain intensity did not differ on crisis or noncrisis pain days. The transition group utilized opioids less often, made fewer ambulatory visits, and had better quality of life, but these differences disappeared after adjusting for pain and comorbidities. However, the transition group reported more use of behavioral coping strategies. Conclusion. We found fewer biological challenges, visits, and better quality of life, in transition-aged versus older adults with SCD, but more behavioral coping. Further study is required to determine whether age-appropriate health care, behavioral, or other interventions could improve age-specific life challenges of patients with SCD

Estimation of aerosol optical depth and additional atmospheric parameters for the calculation of apparent reflectance from radiance measured by the Airborne Visible/Infrared Imaging Spectrometer

The Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) measures spatial images of the total upwelling spectral radiance from 400 to 2500 nm through 10 nm spectral channels. Quantitative research and application objectives for surface investigations require inversion of the measured radiance of surface reflectance or surface leaving radiance. To calculate apparent surface reflectance, estimates of atmospheric water vapor abundance, cirrus cloud effects, surface pressure elevation, and aerosol optical depth are required. Algorithms for the estimation of these atmospheric parameters from the AVIRIS data themselves are described. From these atmospheric parameters we show an example of the calculation of apparent surface reflectance from the AVIRIS-measured radiance using a radiative transfer code

Measurement of atmospheric water vapor, leaf liquid water and reflectance with AVIRIS in the Boreal Ecosystem-Atmosphere Study: Initial results

The Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) acquired data as part of the Boreal Ecosystem-Atmosphere Study (BOREAS) in 1994. Flights occurred over the northern study area (NSA) in the region of 56 degrees north latitude and 98.5 degrees west longitude and over the southern study area (SSA) at 54 degrees north latitude and 105 degrees west longitude. These data will be used to directly derive spectral properties of the surface and atmosphere and to provide supporting data for other instruments, models, and experiments in support of the BOREAS objectives. We present a preliminary evaluation of the AVIRIS data collected in BOREAS in terms of the AVIRIS-derived parameters: water vapor, leaf water, and apparent spectral reflectance

Broadening of Spectral Lines due to Dynamic Multiple Scattering and the Tully-Fisher Relation

The frequency shift of spectral lines is most often explained by the Doppler Effect in terms of relative motion, whereas the Doppler broadening of a particular line mainly depends on the absolute temperature. The Wolf effect on the other hand deals with the correlation induced spectral change and explains both the broadening and shift of the spectral lines. In this framework a relation between the width of the spectral line is related to the redshift z for the line and hence with the distance. For smaller values of z a relation similar to the Tully-Fisher relation can be obtained and for larger values of z a more general relation can be constructed. The derivation of this kind of relation based on dynamic multiple scattering theory may play a significant role in explaining the overall spectra of quasi stellar objects. We emphasize that this mechanism is not applicable for nearby galaxies, $z \leq 1$.Comment: 18 pages, 5 figures, revised Version has been submitted to Physical Review A. (2nd author's affiliation corrected