Application of aerospace-generated technology to water pollution and other public sector problems Quarterly report, 1 Dec. 1968 - 28 Feb. 1969

Aerospace-generated technology considered for solving 22 specific problems in water pollutio

Density-functional-theory-based local quasicontinuum method: Prediction of dislocation nucleation

We introduce the density functional theory (DFT) local quasicontinuum method: a first principles multiscale material model that embeds DFT unit cells at the subgrid level of a finite element computation. The method can predict the onset of dislocation nucleation in both single crystals and those with inclusions, although extension to lattice defects awaits new methods. We show that the use of DFT versus embedded-atom method empirical potentials results in different predictions of dislocation nucleation in nanoindented face-centered-cubic aluminum

Laser production of gas phase complexes of metal α-aminophosphonic acid mixtures and their role in chiral recognition

Clusters between first-group metal ions and chiralα-aminophosphonic acids have been readily generated by Pulsed Laser Ablation (PLA) and by Electrospray Ionization (ESI) and their fragmentation investigated by mass spectrometry. The complexes studied have the general formula[Me(I)Cl2]+, where Me(I) is H, Li, Na, or K, C is (R)-(—)-(1-aminoethyl) phosphonic acid(ER)and (S)-(+)-(1-aminoethyl) phosphonic acid(ES),(1R)-(+)-(1-amino-2-methylpropyl) phosphonic acid(PR)and (1S)-(—)-(1-amino-2-methylpropyl) phosphonic acid(PS),(1R)-(-)-(1-amino-hexyl) phosphonic acid (HR) and (1S)-(+)-(1-amino-hexyl) phosphonic acid (HS), o-phospho-L-serine (SS)ando-phospho-D-serine(SR), and L is a referenceα-aminophosphonic acid (E, P, H or S) of defined configuration. Collision induced dissociation (CID) of diastereomeric[Me(I)Cl2]+complexes leads to fragmentation patterns characterized by[Me(I)Cl]+/[Me(I)L2]+abundance ratios which depend upon the configuration of solute C. These different spectral features were correlated to the different stability of the diastereomeric[Me(I)CRL]+and[Me(I)CSL]+complexes in the gas phase

Density-functional-theory-based local quasicontinuum method: Prediction of dislocation nucleation

We introduce the density functional theory (DFT) local quasicontinuum method: a first principles multiscale material model that embeds DFT unit cells at the subgrid level of a finite element computation. The method can predict the onset of dislocation nucleation in both single crystals and those with inclusions, although extension to lattice defects awaits new methods. We show that the use of DFT versus embedded-atom method empirical potentials results in different predictions of dislocation nucleation in nanoindented face-centered-cubic aluminum

Characterization of a globin-coupled oxygen sensor with a gene-regulating function

Globin-coupled sensors (GCSs) are multiple-domain transducers, consisting of a regulatory globin-like heme-binding domain and a linked transducer domain(s). GCSs have been described in both Archaea and bacteria. They are generally assumed to bind O2 (and perhaps other gaseous ligands) and to transmit a conformational change signal through the transducer domain in response to fluctuating O2 levels. In this study, the heme-binding domain, AvGReg178, and the full protein, AvGReg of the Azotobacter vinelandii GCS, were cloned, expressed, and purified. After purification, the heme iron of AvGReg178 was found to bind O2. This form was stable over many hours. In contrast, the predominant presence of a bis-histidine coordinate heme in ferric AvGReg was revealed. Differences in the heme pocket structure were also observed for the deoxygenated ferrous state of these proteins. The spectra showed that the deoxygenated ferrous derivatives of AvGReg178 and AvGReg are characterized by a penta-coordinate and hexa-coordinate heme iron, respectively. O2 binding isotherms indicate that AvGReg178 and AvGReg show a high affinity for O2 with P50 values at 20 °C of 0.04 and 0.15 torr, respectively. Kinetics of CO binding indicate that AvGReg178 carbonylation conforms to a monophasic process, comparable with that of myoglobin, whereas AvGReg carbonylation conforms to a three-phasic reaction, as observed for several proteins with bis-histidine heme iron coordination. Besides sensing ligands, in vitro data suggest that AvGReg(178) may have a role in O2-mediated NO-detoxification, yielding metAvGReg(178) and nitrate. © 2007 by The American Society for Biochemistry and Molecular Biology, Inc

The Grizzly, December 8, 1978

Campus Entertainment Limited?: Activities Discussed By Task Force • Pi Omega Delta Becomes a Reality; Register Now for Evening Courses; Meistersingers In Televised Concert; Holiday Baskets Distributed By APO • Community And Civilization To Offer Interesting Approach • Bears Crack Garnets • Liberal Education In Our Times • Be Cool Or Bolt • From Beads and Bennies to Bedsheets and Budweiser • Letters to the Editor: Guyana Attitudes - Sig Rho Responds • Touring: Leave The Crowds On The Mountain • le Club Francais s\u27Amuse • The Year In Music • V-Ball Set To Spike Foes • Martha Franklin: For The Love Of Ursinus • Sports Profile: Clayton Ebling • Flying High Downs Slappers • Two No Shows Leave Mermaids Dry • Aquamen Splash To Win • Women Hoopers Drop Twohttps://digitalcommons.ursinus.edu/grizzlynews/1009/thumbnail.jp

Contribution of a mutational hot spot to hemoglobin adaptation in high-altitude Andean house wrens

A key question in evolutionary genetics is why certain mutations or certain types of mutation make disproportionate contributions to adaptive phenotypic evolution. In principle, the preferential fixation of particular mutations could stem directly from variation in the underlying rate of mutation to function-altering alleles. However, the influence of mutation bias on the genetic architecture of phenotypic evolution is difficult to evaluate because data on rates of mutation to function-altering alleles are seldom available. Here, we report the discovery that a single point mutation at a highly mutable site in the βA-globin gene has contributed to an evolutionary change in hemoglobin (Hb) function in high-altitude Andean house wrens (Troglodytes aedon). Results of experiments on native Hb variants and engineered, recombinant Hb mutants demonstrate that a nonsynonymous mutation at a CpG dinucleotide in the βA-globin gene is responsible for an evolved difference in Hb–O2 affinity between high- and low-altitude house wren populations. Moreover, patterns of genomic differentiation between high- and low-altitude populations suggest that altitudinal differentiation in allele frequencies at the causal amino acid polymorphism reflects a history of spatially varying selection. The experimental results highlight the influence of mutation rate on the genetic basis of phenotypic evolution by demonstrating that a large-effect allele at a highly mutable CpG site has promoted physiological differentiation in blood O2 transport capacity between house wren populations that are native to different elevations

Integrating Evolutionary and Functional Tests of Adaptive Hypotheses: A Case Study of Altitudinal Differentiation in Hemoglobin Function in an Andean Sparrow, \u3ci\u3eZonotrichia capensis\u3c/i\u3e

In air-breathing vertebrates, the physiologically optimal blood-O2 affinity is jointly determined by the prevailing partial pressure of atmospheric O2, the efficacy of pulmonary O2 transfer, and internal metabolic demands. Consequently, genetic variation in the oxygenation properties of hemoglobin (Hb) may be subject to spatially varying selection in species with broad elevational distributions. Here we report the results of a combined functional and evolutionary analysis of Hb polymorphism in the rufouscollared sparrow (Zonotrichia capensis), a species that is continuously distributed across a steep elevational gradient on the Pacific slope of the Peruvian Andes. We integrated a population genomic analysis that included all postnatally expressed Hb genes with functional studies of naturally occurring Hb variants, as well as recombinant Hb (rHb) mutants that were engineered through site-directed mutagenesis. We identified three clinally varying amino acid polymorphisms: Two in the αA-globin gene, which encodes the α-chain subunits of the major HbA isoform, and one in the αD-globin gene, which encodes the α-chain subunits of the minor HbD isoform. We then constructed and experimentally tested single- and double-mutant rHbs representing each of the alternative αA-globin genotypes that predominate at different elevations. Although the locusspecific patterns of altitudinal differentiation suggested a history of spatially varying selection acting on Hb polymorphism, the experimental tests demonstrated that the observed amino acid mutations have no discernible effect on respiratory properties of the HbA or HbD isoforms. These results highlight the importance of experimentally validating the hypothesized effects of genetic changes in protein function to avoid the pitfalls of adaptive storytelling