Ab initio electronic structure calculations of solid, solution-processed metallotetrabenzoporphyrins

An ab initio study of the electronic structures of solid metallotetrabenzoporphyrins (MTBPs) utilized in organic transistors and photovoltaics is presented. Bandstructures, densities of states, and orbitals are calculated for H2, Cu, Ni, and Zn core substitutions of the unit cell of solid TBP, as deposited via soluble precursors that are thermally annealed to produce polycrystalline, semiconducting thin-films. While the unit cells of the studied MTBPs are nearly isomorphous, substitution of the core atoms alters the structure of the bands around the energy bandgap and the composition of the densities of states. Cu and Ni core substitutions introduce nearly-dispersionless energy bands near the valence and conduction band edges, respectively, that form acceptor or deep generation/recombination states.Comment: 7 pages, 3 figures, 4 table

Measuring and modeling near-surface reflected and emitted radiation fluxes at the FIFE site

Information is presented pertaining to the measurement and estimation of reflected and emitted components of the radiation balance. Information is included about reflectance and transmittance of solar radiation from and through the leaves of some grass and forb prairie species, bidirectional reflectance from a prairie canopy is discussed and measured and estimated fluxes are described of incoming and outgoing longwave and shortwave radiation. Results of the study showed only very small differences in reflectances and transmittances for the adaxial and abaxial surfaces of grass species in the visible and infrared wavebands, but some differences in the infrared wavebands were noted for the forbs. Reflectance from the prairie canopy changed as a function of solar and view zenith angles in the solar principal plane with definite asymmetry about nadir. The surface temperature of prairie canopies was found to vary by as much as 5 C depending on view zenith and azimuth position and on the solar azimuth. Aerodynamic temperature calculated from measured sensible heat fluxes ranged from 0 to 3 C higher than nadir-viewed temperatures. Models were developed to estimate incoming and reflected shortwave radiation from data collected with a Barnes Modular Multiband Radiometer. Several algorithms for estimating incoming longwave radiation were evaluated and compared to actual measures of that parameter. Net radiation was calculated using the estimated components of the shortwave radiation streams, determined from the algorithms developed, and from the longwave radiation streams provided by the Brunt, modified Deacon, and the Stefan-Boltzmann models. Estimates of net radiation were compared to measured values and found to be within the measurement error of the net radiometers used in the study

Birth outcomes and water: A multidisciplinary study

Evidence that agrichemicals are associated with the incidence of birth defects is inconsistent. We examined whether nitrate and nitrosatable agrichemicals present in well water are associated with birth defect rates in Nebraska counties. Birth defect data from the Nebraska Department of Health and Human Services, 2005-2014, were merged with well data obtained from the Quality-Assessed Agrichemical Contaminant Database for Nebraska Ground Water (1977-2014). Nebraska counties with higher rates of birth defects had a greater prevalence of agrichemicals in well water. Of the 33 contaminants sampled from different well types, nitrate and atrazine were of interest. Birth defect rates were negatively correlated with nitrate-positive wells and directly correlated with atrazine positive wells. After stratification by well types (domestic and public wells) we found the highest correlation between nitrate+atrazine positive wells as compared to wells contaminated with either nitrate or atrazine. This study suggests stronger association between birth defects and maternal exposure to nitrate+atrazine when compared to maternal exposure to only nitrate or atrazine in drinking water. This association does not imply causation but provides direction for further investigation.https://digitalcommons.unmc.edu/coph_pres/1011/thumbnail.jp

Operational, water quality and temporal factors affecting impingement of fish and shellfish at a Texas coastal power plant

AbstractThe Barney M. Davis Power Plant in Corpus Christi, Texas, withdraws large quantities of water from the Laguna Madre for non-contact cooling. As a result, fish and shellfish may be harmed when impinged against screens intended to remove debris and wrack (floating sea grass). To reduce impingement it is important to understand related factors and their interrelationships. Several operational, water quality, and temporal factors were correlated with the total number of impinged organisms when the plant is pumping water. In this study, operational factors included hourly average flow and the number of screens in operation during sampling. Water quality factors included temperature, dissolved oxygen, pH, conductivity and salinity. Temporal factors included month and time of day of impingement sampling. Over the course of a year, fish and shellfish impinged on Passavant traveling drum screens were collected, classified, and counted. Multiple regression analyses were conducted and the number of organisms impinged was the response variable. Total impingement was most associated with dissolved oxygen concentration, sampling month and sampling time. For fish, sampling month and dissolved oxygen were most associated with impingement, while for shellfish, sampling month and sampling time were most important. Hourly flow and number of operating screens were not significant predictors of impingement

TNT biotransformation and detoxification by a \u3ci\u3ePseudomonas aeruginosa\u3c/i\u3e strain

Successful microbial-mediated remediation requires transformation pathways that maximize metabolism and minimize the accumulation of toxic products. Pseudomonas aeruginosa strain MX, isolated from munitionscontaminated soil, degraded 100 mg TNT L-1 in culture medium within 10 h under aerobic conditions. The major TNT products were 2-amino-4,6-dinitrotoluene (2ADNT, primarily in the supernatant) and 2,2′- azoxytoluene (2,2′AZT, primarily in the cell fraction), which accumulated as major products via the intermediate 2-hydroxylamino-4,6-dinitrotoluene(2HADNT). The 2HADNT and 2,2′AZT were relatively less toxic to the strain than TNT and 2ADNT. Aminodinitrotoluene (ADNT) production increased when yeast extract was added to the medium. While TNT transformation rate was not affected by pH, more HADNTs accumulated at pH 5.0 than at pH 8.0 and AZTs did not accumulate at the lower pH. The appearance of 2,6-diamino-4-nitrotoluene (2,6DANT) and 2,4-diamino-6-nitrotoluene (2,4DANT); dinitrotoluene (DNT) and nitrotoluene (NT); and 3,5-dinitroaniline (3,5DNA) indicated various routes of TNT metabolism and detoxification by P. aeruginosa strain MX

TNT biotransformation and detoxification by a \u3ci\u3ePseudomonas aeruginosa\u3c/i\u3e strain

Successful microbial-mediated remediation requires transformation pathways that maximize metabolism and minimize the accumulation of toxic products. Pseudomonas aeruginosa strain MX, isolated from munitionscontaminated soil, degraded 100 mg TNT L-1 in culture medium within 10 h under aerobic conditions. The major TNT products were 2-amino-4,6-dinitrotoluene (2ADNT, primarily in the supernatant) and 2,2′- azoxytoluene (2,2′AZT, primarily in the cell fraction), which accumulated as major products via the intermediate 2-hydroxylamino-4,6-dinitrotoluene(2HADNT). The 2HADNT and 2,2′AZT were relatively less toxic to the strain than TNT and 2ADNT. Aminodinitrotoluene (ADNT) production increased when yeast extract was added to the medium. While TNT transformation rate was not affected by pH, more HADNTs accumulated at pH 5.0 than at pH 8.0 and AZTs did not accumulate at the lower pH. The appearance of 2,6-diamino-4-nitrotoluene (2,6DANT) and 2,4-diamino-6-nitrotoluene (2,4DANT); dinitrotoluene (DNT) and nitrotoluene (NT); and 3,5-dinitroaniline (3,5DNA) indicated various routes of TNT metabolism and detoxification by P. aeruginosa strain MX

Ethnic politics and sovereign credit risk

How does domestic politics affect sovereign credit risk? To date, scholars have largely focused on how economic interests along class-cleavages influence sovereign default risk and borrowing costs. Ethnic dynamics are another important political factor that explains governments’ creditworthiness, yet are understudied. We investigate how ethnic politics shape governments’ credit access and argue that the fiscal incentives generated by ethnic coalitions influence credit risk differently than those created by class cleavages. Because ethnic coalitions are usually smaller than class coalitions, left governments with ethnic support can commit to lower spending and receive more favorable risk assessments. Right governments that rely on ethnic support, however, will have greater spending demands because of their need to satisfy ethnic groups. We test our argument using a new indicator of government ethnic support and four indicators of sovereign credit risk. We find that, in emerging markets, the borrowing costs of right governments increase as they become more dependent on ethnic groups for political support. Our findings suggest that financial markets are attuned to multiple dimensions of domestic politics and demonstrate that ethnic divisions can have strong implications for governments’ access to credit