Surface and boundary layer exchanges of volatile organic compounds, nitrogen oxides and ozone during the GABRIEL campaign

We present an evaluation of sources, sinks and turbulent transport of nitrogen oxides, ozone and volatile organic compounds (VOC) in the boundary layer over French Guyana and Suriname during the October 2005 GABRIEL campaign by simulating observations with a single-column chemistry and climate model (SCM) along a zonal transect. Simulated concentrations of O3 and NO as well as NO2 photolysis rates over the forest agree well with observations when a small soil-biogenic NO emission flux was applied. This suggests that the photochemical conditions observed during GABRIEL reflect a pristine tropical low-NOx regime. The SCM uses a compensation point approach to simulate nocturnal deposition and daytime emissions of acetone and methanol and produces daytime boundary layer mixing ratios in reasonable agreement with observations. The area average isoprene emission flux, inferred from the observed isoprene mixing ratios and boundary layer height, is about half the flux simulated with commonly applied emission algorithms. The SCM nevertheless simulates too high isoprene mixing ratios, whereas hydroxyl concentrations are strongly underestimated compared to observations, which can at least partly explain the discrepancy. Furthermore, the model substantially overestimates the isoprene oxidation products methlyl vinyl ketone (MVK) and methacrolein (MACR) partly due to a simulated nocturnal increase due to isoprene oxidation. This increase is most prominent in the residual layer whereas in the nocturnal inversion layer we simulate a decrease in MVK and MACR mixing ratios, assuming efficient removal of MVK and MACR. Entrainment of residual layer air masses, which are enhanced in MVK and MACR and other isoprene oxidation products, into the growing boundary layer poses an additional sink for OH which is thus not available for isoprene oxidation. Based on these findings, we suggest pursuing measurements of the tropical residual layer chemistry with a focus on the nocturnal depletion of isoprene and its oxidation products

Disruption of Intrinsic Motions as a Mechanism for Enzyme Inhibition

AbstractClostridium difficile (C. diff) is one of the most common and most severe hospital-acquired infections; its consequences range from lengthened hospital stay to outright lethality. C. diff causes cellular damage through the action of two large toxins TcdA and TcdB. Recently, there has been increased effort toward developing antitoxin therapies, rather than antibacterial treatments, in hopes of mitigating the acquisition of drug resistance. To date, no analysis of the recognition mechanism of TcdA or TcdB has been attempted. Here, we use small molecule flexible docking followed by unbiased molecular dynamics to obtain a more detailed perspective on how inhibitory peptides, exemplified by two species HQSPWHH and EGWHAHT function. Using principal component analysis and generalized masked Delaunay analysis, an examination of the conformational space of TcdB in its apo form as well as forms bound to the peptides and UDP-Glucose was performed. Although both species inhibit by binding in the active site, they do so in two very different ways. The simulations show that the conformational space occupied by TcdB bound to the two peptides are quite different and provide valuable insight for the future design of toxin inhibitors and other enzymes that interact with their substrates through conformational capture mechanisms and thus work by the disruption of the protein’s intrinsic motions

Steady-state many-body entanglement of hot reactive fermions

Entanglement is typically created via systematic intervention in the time evolution of an initially unentangled state, which can be achieved by coherent control, carefully tailored non-demolition measurements, or dissipation in the presence of properly engineered reservoirs. In this paper we show that two-component Fermi gases at ~\mu K temperatures naturally evolve, in the presence of reactive two-body collisions, into states with highly entangled (Dicke-type) spin wavefunctions. The entanglement is a steady-state property that emerges---without any intervention---from uncorrelated initial states, and could be used to improve the accuracy of spectroscopy in experiments with fermionic alkaline earth atoms or fermionic groundstate molecules.Comment: 8 pages, 3 figure

Qualitative analysis of patient responses to the ABCD FreeStyle Libre audit questionnaire

The Abbott FreeStyle Libre® flash glucose monitoring system is a novel sensor‐based, factory‐calibrated device that allows individuals with diabetes to monitor their interstitial glucose levels, capture up to 8 hours of interstitial glucose data, and predict future changes in interstitial glucose by scanning a temporary implantable glucose sensor with a reader device or compatible mobile phone. The study aim was to determine whether use of a flash glucose monitoring system had an impact on quality of life and to explore why this was the case. Raw data were collected as part of a brief semi‐structured interview supported by the ABCD FreeStyle Libre Follow‐Up Visit Data Collection form. Data were collected pragmatically at outpatient clinic follow‐up visits, and the first 40 patients to complete six months of continuous use were included in the study. Feedback on use of the device was overwhelmingly (although not unanimously) positive. A number of basic themes were identified independently by the investigators, which were then grouped into four organising themes: Contrast with capillary blood glucose monitoring; Impact on hypoglycaemia experience; Glycaemic control and complications; and Improved wellbeing and quality of life. These themes are analysed and illustrated in the article