Outer-Sphere Effects on Reduction Potentials of Copper Sites in Proteins: The Curious Case of High Potential Type 2 C112D/M121E Pseudomonas aeruginosa Azurin

Redox and spectroscopic (electronic absorption, multifrequency electron paramagnetic resonance (EPR), and X-ray absorption) properties together with X-ray crystal structures are reported for the type 2 Cu^(II) C112D/M121E variant of Pseudomonas aeruginosa azurin. The results suggest that Cu^(II) is constrained from interaction with the proximal glutamate; this structural frustration implies a “rack” mechanism for the 290 mV (vs NHE) reduction potential measured at neutral pH. At high pH (~9), hydrogen bonding in the outer coordination sphere is perturbed to allow axial glutamate ligation to Cu^(II), with a decrease in potential to 119 mV. These results highlight the role played by outer-sphere interactions, and the structural constraints they impose, in determining the redox behavior of transition metal protein cofactors

Optimal Time-Series Selection of Quasars

We present a novel method for the optimal selection of quasars using time-series observations in a single photometric bandpass. Utilizing the damped random walk model of Kelly et al. (2009), we parameterize the ensemble quasar structure function in Sloan Stripe 82 as a function of observed brightness. The ensemble model fit can then be evaluated rigorously for and calibrated with individual light curves with no parameter fitting. This yields a classification in two statistics --- one describing the fit confidence and one describing the probability of a false alarm --- which can be tuned, a priori, to achieve high quasar detection fractions (99% completeness with default cuts), given an acceptable rate of false alarms. We establish the typical rate of false alarms due to known variable stars as <3% (high purity). Applying the classification, we increase the sample of potential quasars relative to those known in Stripe 82 by as much as 29%, and by nearly a factor of two in the redshift range 2.5<z<3, where selection by color is extremeley inefficient. This represents 1875 new quasars in a 290 deg^2 field. The observed rates of both quasars and stars agree well with the model predictions, with >99% of quasars exhibiting the expected variability profile. We discus the utility of the method at high-redshift and in the regime of noisy and sparse data. Our time series selection complements well independent selection based on quasar colors and has strong potential for identifying high redshift quasars for BAO and other cosmology studies in the LSST era.Comment: 28 pages, 8 figures, 3 tables; Accepted to A

Effects of Material Mapping Agnostic Partial Volume Correction for Subject Specific Finite Elements Simulations

Partial Volume effects are present at the boundary between any two types of material in a CT image due to the scanner's Point Spread Function, finite voxel resolution, and importantly, the discrepancy in radiodensity between the two materials. In this study a new algorithm is developed and validated that builds on previously published work to enable the correction of partial volume effects at cortical bone boundaries. Unlike past methods, this algorithm does not require pre-processing or user input to achieve the correction, and the correction is applied directly onto a set of CT images, which enables it to be used in existing computational modelling workflows. The algorithm was validated by performing experimental three point bending tests on porcine fibulae specimen and comparing the experimental results to finite element results for models created using either the original, uncorrected CT images or the partial volume corrected images. Results demonstrated that the models created using the partial volume corrected images did improved the accuracy of the surface strain predictions. Given this initial validation, this algorithm is a viable method for overcoming the challenge of partial volume effects in CT images. Thus, future work should be undertaken to further validate the algorithm with human tissues and through coupling it with a range of different finite element creation workflows to verify that it is robust and agnostic to the chosen material mapping strategy

Evaluation of Barrier Sprays in Eastern North Carolina

Presented for World Environmental Health Day, September 26, 2016 in Greenville, North Carolina.Suspend® Polyzone® (deltamethrin) and Bifen Insecticide/Termiticide (bifenthrin) were evaluated in two eastern North Carolina neighborhoods from May 18 – Oct 19, 2015 (23 weeks). Lots were sprayed every 21 days. At 17 fixed locations (13 treatment, four control), Centers for Disease Control and Prevention (CDC) CO2-baited traps were deployed overnight, once/week. Oviposition traps were also deployed weekly and remained for seven days to measure Aedes albopictus abundance. Mosquitoes were identified to species and tabulated by location and week. Adult and egg abundance was generally significantly higher in control versus treatment traps. The abundance of Psorophora columbiae and Ae. vexans was significantly higher in control versus treatment traps. Bifenthrin and deltamethrin showed differences in efficacy (e.g. Ae. vexans, An. punctipennis, and Ps. ferox abundance was higher in bifenthrin traps compared to deltamethrin and control traps), but this varied across neighborhoods and species.This study was funded by Bayer Crop Science and The Mosquito Authorit