Commentary on using equivalent latitude in the upper troposphere and lower stratosphere

We discuss the use of potential vorticity (PV) based equivalent latitude (EqLat) and potential temperature (<i>θ</i>) coordinates in the upper troposphere and lower stratosphere (UTLS) for chemical transport studies. The main objective is to provide a cautionary note on using EqLat-<i>θ</i> coordinates for aggregating chemical tracers in the UTLS. Several examples are used to show 3-D distributions of EqLat together with chemical constituents for a range of <i>θ</i>. We show that the use of PV-<i>θ</i> coordinates may not be suitable for several reasons when tropospheric processes are an important part of a study. Due to the different static stability structures between the stratosphere and troposphere, the use of <i>θ</i> as a vertical coordinate does not provide equal representations of the UT and LS. Since the <i>θ</i> surfaces in the troposphere often intersect the surface of the Earth, the <i>θ</i> variable does not work well distinguishing the UT from the boundary layer when used globally as a vertical coordinate. We further discuss the duality of PV/EqLat as a tracer versus as a coordinate variable. Using an example, we show that while PV/EqLat serves well as a transport tracer in the UTLS region, it may conceal the chemical structure associated with wave breaking when used as a coordinate to average chemical tracers. Overall, when choosing these coordinates, considerations need to be made not only based on the time scale of PV being a conservative tracer, but also the specific research questions to be addressed

Wet scavenging of soluble gases in DC3 deep convective storms using WRF-Chem simulations and aircraft observations

We examine wet scavenging of soluble trace gases in storms observed during the Deep Convective Clouds and Chemistry (DC3) field campaign. We conduct high-resolution simulations with the Weather Research and Forecasting model with Chemistry (WRF-Chem) of a severe storm in Oklahoma. The model represents well the storm location, size, and structure as compared with Next Generation Weather Radar reflectivity, and simulated CO transport is consistent with aircraft observations. Scavenging efficiencies (SEs) between inflow and outflow of soluble species are calculated from aircraft measurements and model simulations. Using a simple wet scavenging scheme, we simulate the SE of each soluble species within the error bars of the observations. The simulated SEs of all species except nitric acid (HNO_3) are highly sensitive to the values specified for the fractions retained in ice when cloud water freezes. To reproduce the observations, we must assume zero ice retention for formaldehyde (CH_2O) and hydrogen peroxide (H_2O_2) and complete retention for methyl hydrogen peroxide (CH_3OOH) and sulfur dioxide (SO_2), likely to compensate for the lack of aqueous chemistry in the model. We then compare scavenging efficiencies among storms that formed in Alabama and northeast Colorado and the Oklahoma storm. Significant differences in SEs are seen among storms and species. More scavenging of HNO_3 and less removal of CH_3OOH are seen in storms with higher maximum flash rates, an indication of more graupel mass. Graupel is associated with mixed-phase scavenging and lightning production of nitrogen oxides (NO_x), processes that may explain the observed differences in HNO_3 and CH_3OOH scavenging

Plasma Electronics

Contains research objectives and reports on twelve research projects.National Science Foundation under Grant G-9330U. S. Navy (Office of Naval Research) under Contract Nonr-1841(78)U. S. NavyLincoln Laboratory, Purchase Order DDL B-00306U. S. ArmyU. S. Air Force under Air Force Contract AF19(604)-740

Plasma Electronics

Contains research objectives and reports on seven research projects.U. S. ArmyLincoln Laboratory, Purchase Order DDL B-00368U. S. Air Force under Air Force Contract AF19(604)-7400U. S. NavyNational Science Foundation (Grant G-24073)U.S. Navy (Office of Naval Research) under Contract Nonr-1841(78

Plasma Electronics

Contains reports on nine research projects.U. S. Air Force under Air Force Contract AF 19(604)-7400National Science Foundation under Grant G-9330U.S.Navy(Office of Naval Research)under Contract Nonr-1841(78)U. S. ArmyLincoln Laboratory, Purchase Order DDL B-00337U. S. Nav

Summary and Highlights of the SPARC-Reanalysis Intercomparison Project

The climate research community uses global atmospheric reanalysis data sets to understand a wide range of processes and variability in the atmosphere; they are a particularly powerful tool for studying phenomena that cannot be directly observed. Different reanalyses may give very different results for the same diagnostics. The Stratosphere troposphere Processes And their Role in Climate (SPARC) Reanalysis Intercomparison Project (S-RIP) is a coordinated activity to compare key diagnostics that are important for stratospheric processes and their tropospheric connections among available reanalyses. S-RIP has been identifying differences among reanalyses and their underlying causes, providing guidance on appropriate usage of reanalysis products in scientific studies (particularly those of relevance to SPARC), and contributing to future improvements in the reanalysis products by establishing collaborative links between reanalysis centres and data users. S-RIP emphasizes diagnostics of the upper troposphere, stratosphere, and lower mesosphere. The draft S-RIP final report is expected to be completed in 2018. This poster gives a summary of the S-RIP project and presents highlights including results on the Brewer-Dobson circulation, stratosphere/troposphere dynamical coupling, the extra-tropical upper troposphere / lower stratosphere, the tropical tropopause layer, the quasi-biennial oscillation, lower stratospheric polar processing, and the upper stratosphere/lower mesosphere

Plasma Dynamics

Contains reports on two research projects.National Science Foundation under Grant G-9330WADD Contract AF33(616)-7624 with Flight Accessories Laboratory, Wright-Patterson Air Force Base, OhioAtomic Energy Commission under Contract AT(30-1)-1842Air Force Command and Control Development Division under Contract AF19(604)-599

The convective transport of active species in the tropics (Contrast) experiment

The Convective Transport of Active Species in the Tropics (CONTRAST) experiment was conducted from Guam (13.5degN, 144.8degE) during January-February 2014. Using the NSF/NCAR Gulfstream V research aircraft, the experiment investigated the photochemical environment over the tropical western Pacific (TWP) warm pool, a region of massive deep convection and the major pathway for air to enter the stratosphere during Northern Hemisphere (NH) winter. The new observations provide a wealth of information for quantifying the influence of convection on the vertical distributions of active species. The airborne in situ measurements up to 15-km altitude fill a significant gap by characterizing the abundance and altitude variation of a wide suite of trace gases. These measurements, together with observations of dynamical and microphysical parameters, provide significant new data for constraining and evaluating global chemistry climate models. Measurements include precursor and product gas species of reactive halogen compounds that impact ozone in the upper troposphere/lower stratosphere. High-accuracy, in situ measurements of ozone obtained during CONTRAST quantify ozone concentration profiles in the upper troposphere, where previous observations from balloon-borne ozonesondes were often near or below the limit of detection. CONTRAST was one of the three coordinated experiments to observe the TWP during January-February 2014. Together, CONTRAST, Airborne Tropical Tropopause Experiment (ATTREX), and Coordinated Airborne Studies in the Tropics (CAST), using complementary capabilities of the three aircraft platforms as well as ground-based instrumentation, provide a comprehensive quantification of the regional distribution and vertical structure of natural and pollutant trace gases in the TWP during NH winter, from the oceanic boundary to the lower stratosphere

Molecular determinants of binding to the Plasmodium subtilisin-like protease 1.

PfSUB1, a subtilisin-like protease of the human malaria parasite Plasmodium falciparum, is known to play important roles during the life cycle of the parasite and has emerged as a promising antimalarial drug target. In order to provide a detailed understanding of the origin of binding determinants of PfSUB1 substrates, we performed molecular dynamics simulations in combination with MM-GBSA free energy calculations using a homology model of PfSUB1 in complex with different substrate peptides. Key interactions, as well as residues that potentially make a major contribution to the binding free energy, are identified at the prime and nonprime side of the scissile bond and comprise peptide residues P4 to P2'. This finding stresses the requirement for peptide substrates to interact with both prime and nonprime side residues of the PfSUB1 binding site. Analyzing the energetic contributions of individual amino acids within the peptide-PfSUB1 complexes indicated that van der Waals interactions and the nonpolar part of solvation energy dictate the binding strength of the peptides and that the most favorable interactions are formed by peptide residues P4 and P1. Hot spot residues identified in PfSUB1 are dispersed over the entire binding site, but clustered areas of hot spots also exist and suggest that either the S4-S2 or the S1-S2' binding site should be exploited in efforts to design small molecule inhibitors. The results are discussed with respect to which binding determinants are specific to PfSUB1 and, therefore, might allow binding selectivity to be obtained