The NH bands at Lambda 3360

The bands at lambda 3360 and 3370 are analyzed and their Lambda and spin splitting, as well as a widening effect, which can be observed at these bands are described. The recordings were made at a dispersion of 0.42 A/mm

Directed evolution of an enantioselective Bacillus subtilis lipase

Chiral compounds are of steadily increasing importance to the chemical industry, in particular for the production of pharmaceuticals. Where do these compounds come from? Apart from natural resources, two synthetic strategies are available: asymmetric chemical catalysis using transition metal catalysts and biocatalysis using enzymes. In the latter case, screening programs have identified a number of enzymes. However, their enantioselectivity is often not high enough for a desired reaction. This problem can be solved by applying directed evolution to create enantioselective enzymes as shown here for a lipase from Bacillus subtilis. The reaction studied was the asymmetric hydrolysis of meso-1,4-diacetoxy-2-cyclopentene with the formation of chiral alcohols which were detected by electrospray ionization mass spectrometry. Iterative cycles of random mutagenesis and screening allowed the identification of several variants with improved enantioselectivities. In parallel, we have started to use X-ray structural data to simulate the Bacillus subtilis lipase A-catalyzed substrate hydrolysis by using quantum mechanical and molecular mechanical calculations. This combined approach should finally enable us to devise more efficient strategies for the directed evolution of enantioselective enzymes

Precision test for the spectral characteristic of FT-NIR for the measurement of water content of wheat straw

Near Infrared (NIR) Spectroscopy is widely employed as a rapid technique for the evaluation of properties of biomass materials. Precision and accuracy of the instruments is an important aspect in order to minimize error in the determination of results. The objective of this publication is to determine scanning repeatability and reproducibility of the NIR spectrometer for wheat straw (Triticum aestivum L.), using either a fixed scan or a rotating scan. The former presented marginally better repeatability but worse reproducibility. Samples in equilibrium with the local atmosphere versus samples of controlled and different moisture contents were also compared, and the latter performed better on the precision test but both fixed and rotating scans. As the ultimate objective of this test is the use of this method to determine variations between different moisture content, and as the rotating scan presents better reproducibility, this method was selected as the reference method for further NIR analyses focused on the variation of moisture content

Life Beyond the Solar System: Space Weather and Its Impact on Habitable Worlds

The search of life in the Universe is a fundamental problem of astrobiology and a major priority for NASA. A key area of major progress since the NASA Astrobiology Strategy 2015 (NAS15) has been a shift from the exoplanet discovery phase to a phase of characterization and modeling of the physics and chemistry of exoplanetary atmospheres, and the development of observational strategies for the search for life in the Universe by combining expertise from four NASA science disciplines including heliophysics, astrophysics, planetary science and Earth science. The NASA Nexus for Exoplanetary System Science (NExSS) has provided an efficient environment for such interdisciplinary studies. Solar flares, coronal mass ejections and solar energetic particles produce disturbances in interplanetary space collectively referred to as space weather, which interacts with the Earth upper atmosphere and causes dramatic impact on space and ground-based technological systems. Exoplanets within close in habitable zones around M dwarfs and other active stars are exposed to extreme ionizing radiation fluxes, thus making exoplanetary space weather (ESW) effects a crucial factor of habitability. In this paper, we describe the recent developments and provide recommendations in this interdisciplinary effort with the focus on the impacts of ESW on habitability, and the prospects for future progress in searching for signs of life in the Universe as the outcome of the NExSS workshop held in Nov 29 - Dec 2, 2016, New Orleans, LA. This is one of five Life Beyond the Solar System white papers submitted by NExSS to the National Academy of Sciences in support of the Astrobiology Science Strategy for the Search for Life in the Universe.Comment: 5 pages, the white paper was submitted to the National Academy of Sciences in support of the Astrobiology Science Strategy for the Search for Life in the Univers

HOCl chemistry in the Antarctic stratospheric vortex 2002, as observed with the Michelson interferometer for passive atmospheric sounding (MIPAS)

In the 2002 Antarctic polar vortex enhanced HOCl mixing ratios were detected by the Michelson Interferometer for Passive Atmospheric Sounding both at altitudes of around 35 km (1000K potential temperature), where HOCl abundances are ruled by gas phase chemistry and at around 18–24 km (475–625 K), which belongs to the altitude domain where heterogeneous chlorine chemistry is relevant. At altitudes of 33 to 40 km polar vortex HOCl mixing ratios were found to be around 0.14 ppbv as long as the polar vortex was intact, centered at the pole, and thus received relatively little sunlight. This is the altitude region where in midlatitudinal and tropic atmospheres peak HOCl mixing ratios significantly above 0.2 ppbv (in terms of daily mean values) are observed. After deformation and displacement of the polar vortex in the course of a major warming, ClO-rich vortex air was more exposed to sunlight, where enhanced HOx abundances led to largely increased HOCl mixing ratios (up to 0.3 ppbv), exceeding typical midlatitudinal and tropical amounts significantly. The HOCl increase was preceded by an increase of ClO. Model runs could reproduce these measurements only when the Stimpfle et al. (1979) rate constant for the reaction ClO+HO2→HOCl+O2 was used but not with the current JPL recommendation. At an altitude of 24 km, HOCl mixing ratios of up to 0.15 ppbv were detected. This HOCl enhancement, which is already visible in 18 September data, is attributed to heterogeneous chemistry, which is in agreement with observations of polar stratospheric clouds. The measurements were compared to a model run where no polar stratospheric clouds appeared during the observation period. The fact that HOCl still was produced in the model run suggests that a significant part of HOCl was generated from ClO rather than directly via heterogeneous reaction. Excess ClO, lower ClONO2 and earlier loss of HOCl in the measurements are attributed to ongoing heterogeneous chemistry which is not reproduced by the model. On 11 October, polar vortex mean daytime mixing ratios were only 0.03 ppbv

The (1+1)-dimensional Massive sine-Gordon Field Theory and the Gaussian Wave-functional Approach

The ground, one- and two-particle states of the (1+1)-dimensional massive sine-Gordon field theory are investigated within the framework of the Gaussian wave-functional approach. We demonstrate that for a certain region of the model-parameter space, the vacuum of the field system is asymmetrical. Furthermore, it is shown that two-particle bound state can exist upon the asymmetric vacuum for a part of the aforementioned region. Besides, for the bosonic equivalent to the massive Schwinger model, the masses of the one boson and two-boson bound states agree with the recent second-order results of a fermion-mass perturbation calculation when the fermion mass is small.Comment: Latex, 11 pages, 8 figures (EPS files

Shape Transition in the Epitaxial Growth of Gold Silicide in Au Thin Films on Si(111)

Growth of epitaxial gold silicide islands on bromine-passivated Si(111) substrates has been studied by optical and electron microscopy, electron probe micro analysis and helium ion backscattering. The islands grow in the shape of equilateral triangles up to a critical size beyond which the symmetry of the structure is broken, resulting in a shape transition from triangle to trapezoid. The island edges are aligned along $Si[110]$ directions. We have observed elongated islands with aspect ratios as large as 8:1. These islands, instead of growing along three equivalent [110] directions on the Si(111) substrate, grow only along one preferential direction. This has been attributed to the vicinality of the substrate surface.Comment: revtex version 3.0, 11 pages 4 figures available on request from [email protected] - IP/BBSR/93-6

China’s market economy, shadow banking and the frequency of growth slowdown

The activity of the Shadow Banks in China has been the subject of considerable interest in recent years. Total shadow banking lending has reached over 60% of GDP and has grown faster than regular bank lending. It has been argued that unregulated shadow banking has fuelled a credit boom that poses a risk to the stability of the financial system. This paper estimates a model of the Chinese economy using a DSGE framework that accommodates a banking sector that isolates the effects of lending to the private sector including shadow bank lending. A refinement of the model allows for bank lending including lending by the shadow banks to affect the credit premium on private investment. The main finding is that while financial shocks are significant, it is real shocks that dominate. The model is used to simulate the frequency of growth slowdowns in China and concludes that these are more likely to be driven by real sector shocks rather than financial sector, including shadow bank shocks. This paper differs from other applications in its use of indirect inference to test the fitted model against a threeequation VAR of inflation, output gap and interest rate