Picture gallery: A structured presentation of OAO-2 photometric data supported by UBV, ANS, and TD1 observations

Stellar fluxes for 531 stars in the wavelength range lambda 5500-1330A lambda are presented in the form of graphs. The stars are divided into 52 different categories on the basis of their spectral types and objects within one category are shown together. The agreement between the various ultraviolet photometric systems for early type stars is generally better than 0.10 mag. Stars with known and/or observed variability have been grouped separately. A list of stars with observed photometric properties which are indicative of stellar or interstellar anomalies is also provided

X‑ray Crystallographic Structure of BshC, a Unique Enzyme Involved in Bacillithiol Biosynthesis

Bacillithiol is produced by many Gram-positive bacteria via a pathway utilizing the enzymes BshA, BshB, and BshC. Here we report the 1.77 Å resolution crystal structure of BshC, the putative cysteine ligase in bacillithiol production. The structure reveals that BshC contains a core Rossmann fold with connecting peptide motifs (CP1 and CP2) and a unique α-helical coiled-coil domain that facilitates dimerization. The model contains citrate and glycerol in the canonical active site and ADP in a second binding pocket. The overall structure and bound ligands give insight into the function of this unique enzyme

A Structural, Functional, and Computational Analysis of BshA, the First Enzyme in the Bacillithiol Biosynthesis Pathway

Bacillithiol is a compound produced by several Gram-positive bacterial species, including the human pathogens <i>Staphylococcus aureus</i> and <i>Bacillus anthracis</i>. It is involved in maintaining cellular redox balance as well as the destruction of reactive oxygen species and harmful xenobiotic agents, including the antibiotic fosfomycin. BshA, BshB, and BshC are the enzymes involved in bacillithiol biosynthesis. BshA is a retaining glycosyltransferase responsible for the first committed step in bacillithiol production, namely the addition of <i>N</i>-acetylglucosamine to l-malate. Retaining glycosyltransferases like BshA are proposed to utilize an S_N<i>i</i>-like reaction mechanism in which leaving group departure and nucleophilic attack occur on the same face of the hexose. However, significant questions regarding the details of how BshA and similar enzymes accommodate their substrates and facilitate catalysis persist. Here we report X-ray crystallographic structures of BshA from <i>Bacillus subtilis</i> 168 bound with UMP and/or GlcNAc-mal at resolutions of 2.15 and 2.02 Å, respectively. These ligand-bound structures, along with our functional and computational studies, provide clearer insight into how BshA and other retaining GT-B glycosyltransferases operate, corroborating the substrate-assisted, S_N<i>i</i>-like reaction mechanism. The analyses presented herein can serve as the basis for the design of inhibitors capable of preventing bacillithiol production and, subsequently, help combat resistance to fosfomycin in various pathogenic Gram-positive microorganisms

Unused Pharmaceutical Disposal Model

Supporting Information for research article "Life cycle comparison of environmental emissions from three disposal options for unused pharmaceutical". This spreadsheet provides the calculations and values used for this study; please refer to the manuscript and supporting information (as text) available at http://dx.doi.org/10.1021/es203987b for details about how to use this spreadsheet. We use life cycle assessment methodology to compare three disposal options for unused pharmaceuticals: (i) incineration after take-back to a pharmacy, (ii) wastewater treatment after toilet disposal, and (iii) landfilling or incineration after trash disposal. For each option, emissions of active pharmaceutical ingredients to the environment (API emissions) are estimated along with nine other types of emissions to air and water (non-API emissions). Under a scenario with 50% take-back to a pharmacy and 50% trash disposal, current API emissions are expected to be reduced by 93%. This is within 6% of a 100% trash disposal scenario, which achieves an 88% reduction. The 50% take-back scenario achieves a modest reduction in API emissions over a 100% trash scenario while increasing most non-API emissions by over 300%. If the 50% of unused pharmaceuticals not taken-back are toileted instead of trashed, all emissions increase relative to 100% trash disposal. Evidence suggests that 50% participation in take-back programs could be an upper bound. As a result, we recommend trash disposal for unused pharmaceuticals. A 100% trash disposal program would have similar API emissions to a take-back program with 50% participation, while also having significantly lower non-API emissions, lower financial costs, higher convenience, and higher compliance rates.http://deepblue.lib.umich.edu/bitstream/2027.42/91619/1/Unused_Pharmaceutical_Disposal_v-Apr-8-2012.xlsx2