88 research outputs found

    ExoMol line lists XXVIII: The rovibronic spectrum of AlH

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    A new line list for AlH is produced. The WYLLoT line list spans two electronic states X1Σ+X\,{}^1\Sigma^+ and A1ΠA\,{}^1\Pi. A diabatic model is used to model the shallow potential energy curve of the A1ΠA\,{}^1\Pi state, which has a strong pre-dissociative character with only two bound vibrational states. Both potential energy curves are empirical and were obtained by fitting to experimentally derived energies of the X1Σ+X\,{}^1\Sigma^+ and A1ΠA\,{}^1\Pi electronic states using the diatomic nuclear motion codes Level and Duo. High temperature line lists plus partition functions and lifetimes for three isotopologues 27^{27}AlH, 27^{27}AlD and 26^{26}AlH were generated using ab initio dipole moments. The line lists cover both the XX--XX and AA--XX systems and are made available in electronic form at the CDS and ExoMol databases

    New discoveries at Woolsey Mound, MC118, northern Gulf of Mexico

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    Woolsey Mound, a 1km-diameter carbonate-gas hydrate complex in the northern Gulf of Mexico, is the site of the Gulf’s only seafloor monitoring station-observatory in its only research reserve, Mississippi Canyon 118. Active venting, outcropping hydrate, and a thriving chemosynthetic community recommend the site for study. Since 2005, the Gulf of Mexico Hydrates Research Consortium has been conducting multidisciplinary studies to 1. Characterize the site, 2. Establish a facility for real-time monitoring-observing of gas hydrates in a natural setting, 3. Study the effects of gas hydrates on seafloor stability, 4. Establish fluid migration routes and estimates of fluid-flux at the site, 5. Establish the interrelationships between the organisms at the vent site and the association-dissociation of hydrates. A variety of novel geological, geophysical, geochemical and biological studies has been designed and conducted, some in survey mode, others in monitoring mode. Geophysical studies involving merging multiple seismic data acquisition systems accompanied by the application of custom processing techniques verify communication of surface features with deep structures. Supporting geological data derive from innovative recovery techniques. Geochemical sensors, used experimentally in survey mode, including aboard an AUV, double as monitoring devices. A suite of pore-fluid sampling devices has returned data that capture change at the site in daily increments; using only noise as an energy source, hydrophones have returned daily fluctuations in physical properties. Ever-expanding capabilities of a custom-ROV have been determined by research needs. Processing of new as well as conventional data via unconventional means has resulted in the discovery of new features…..vents, faults, benthic fauna…..and modification of others including pockmarks, hydrate outcrops, vent activity, and water-column chemical plumes. Though real-time monitoring awaits communications and power link to land, periodic data-collection reveals a carbonate-hydrate mound, part of an immensely complex hydrocarbon system

    Treatment outcomes for drug resistant tuberculosis among children below 15 years in Kenya, 2010‐2016

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    Background: Tuberculosis is a common cause of morbidity and mortality in children. Children are less likely to acquire resistance during the treatment of tuberculosis (TB). Most of the drug resistant TB infection in children is transmitted from adults.Objective: To determine the characteristics and treatment outcomes among children below 15 years managed for drug resistant TB in Kenya, 2010 – 2016.Design: Retrospective descriptive study.Setting: All health facilities managing drug resistant TB in KenyaSubjects: Children below 15 years treated for drug resistant TB between 2010 and 2016.Results: Sixty three children were notified with DR TB between 2010 and 2016. The median (IQR) age was11 (10‐13) years with a female to male ratio of 1:1. With 32 (52%) and 31 (51%) with smear and culture positive laboratory results respectively. Primary drug resistance was present in 25 (40%) of the children All the sputum and culture converted negative at month three of treatment. HIV testing uptake was 100% with a positivity rate of 26 (41%) and 100% anti‐retroviral therapy uptake. The treatment success rate for the cases was 31(91%) with a mortality rate of 2(5%) and lost‐to‐follow up 1 (3%).Conclusion: Drug‐resistant tuberculosis can be successfully treated and therapy well tolerated among children. There  is need for contact tracing and screening for all at risk including paediatric population

    Evaluating the Viability of Successive Ring-Expansions Based on Amino Acid and Hydroxyacid Side-Chain Insertion

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    The outcome of ring expansion reactions based on amino/hydroxyacid side chain insertion is strongly dependent on ring size. This manuscript, which builds upon our previous work on Successive Ring Expansion (SuRE) methods, details efforts to better define the scope and limitations of these reactions on lactam and β-ketoester ring systems with respect to ring size and additional functionality. The synthetic results provide clear guidelines as to which substrate classes are more likely to be successful and are supported by computational results, using a Density Functional Theory (DFT) approach. Calculating the relative Gibbs free energies of the three isomeric species that are formed reversibly during ring expansion enables the viability of new synthetic reactions to be correctly predicted in most cases. The new synthetic and computational results are expected to support the design of new lactam- and β-ketoester-based ring expansion reactions

    Re-evaluation of name of hydrogenated poly-1-decene (E 907) as food additive

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    Acknowledgements: The Panel wishes to thank: Dimitrios Chrysafidis for the preparatory work on this scientific output. The FAF Panel wishes to acknowledge all European competent institutions, Member State bodies and other organisations that provided data for this scientific output.Publisher PD

    Re-evaluation of hydrochloric acid (E 507), potassium chloride (E 508), calcium chloride (E 509) and magnesium chloride (E 511) as food additives

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    Acknowledgements: The Panel wishes to thank: Agnes De Sesmaisons-Lecarr e of the NUTRI EFSA Unit for the support provided to this scientific output and Dimitrios Chrysafidis for the preparatory work on this scientific output. The FAF Panel wishes to acknowledge all European competent institutions, Member State bodies and other organisations that provided data for this scientific output.Publisher PD

    Re-evaluation of benzyl alcohol (E 1519) as food additive

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    Acknowledgements: The Panel wishes to thank: Dimitrios Chrysafidis for the preparatory work on this scientific output. The FAF Panel wishes to acknowledge all European competent institutions, Member State bodies and other organisations that provided data for this scientific output.Publisher PD
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