Structure, Dynamics, and Accurate Laboratory Rotational Frequencies of the Acrylonitrile–Methanol Complex

The hydrogen-bonded complex between acrylonitrile (CH2=CHCN) and methanol has been characterized spectroscopically in the millimeter wave range (59.6-74.4 GHz) using a free jet absorption millimeter wave spectrometer. Precise values of the rotational and centrifugal distortion constants were obtained from the measured frequencies of the complex of acrylonitrile with CH3OH and CD3OD. The analysis of the splittings of the rotational lines due to the hindered internal rotation of the methanol methyl group led to the determination of a V-3 value of 221.9(7) and 218(5) cm(-1) for the complexes of CH3OH and CD3OD, respectively, and these values are about 40% lower than that of free methanol. The structure of the observed conformation is in agreement with the global minimum determined at the MP2/aug-cc-pVTZ level of calculation, and the counterpoise corrected intermolecular binding energy, obtained at the same theoretical level, is D-e = 26.3 kJ mol(-1)We thank the University of Bologna for funding (RFO). C.C. acknowledges the Spanish Government (MINECO, Project Code CTQ2017-89150-R) for a postdoctoral contract. W.D.G. acknowledges support from the Swedish Research Council (Vetenskapsradet), Grant Number 2019-04332. We thank R. A. Boto and J. Contreras-Garcia for the availability of the NCI 2D plot script

Dissociative recombination measurements of HCl+ using an ion storage ring

We have measured dissociative recombination of HCl+ with electrons using a merged beams configuration at the heavy-ion storage ring TSR located at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. We present the measured absolute merged beams recombination rate coefficient for collision energies from 0 to 4.5 eV. We have also developed a new method for deriving the cross section from the measurements. Our approach does not suffer from approximations made by previously used methods. The cross section was transformed to a plasma rate coefficient for the electron temperature range from T=10 to 5000 K. We show that the previously used HCl+ DR data underestimate the plasma rate coefficient by a factor of 1.5 at T=10 K and overestimate it by a factor of 3.0 at T=300 K. We also find that the new data may partly explain existing discrepancies between observed abundances of chlorine-bearing molecules and their astrochemical models.Comment: Accepted for publication in ApJ (July 7, 2013

Observational tests of interstellar methanol formation

Context. It has been established that the classical gas-phase production of interstellar methanol (CH3OH) cannot explain observed abundances. Instead it is now generally thought that the main formation path has to be by successive hydrogenation of solid CO on interstellar grain surfaces. Aims: While theoretical models and laboratory experiments show that methanol is efficiently formed from CO on cold grains, our aim is to test this scenario by astronomical observations of gas associated with young stellar objects (YSOs). Methods: We have observed the rotational transition quartets J = 2K - 1K of 12CH3OH and 13CH3OH at 96.7 and 94.4 GHz, respectively, towards a sample of massive YSOs in different stages of evolution. In addition, the J = 1-0 transitions of 12C18O and 13C18O were observed towards some of these sources. We use the 12C/13C ratio to discriminate between gas-phase and grain surface origin: If methanol is formed from CO on grains, the ratios should be similar in CH3OH and CO. If not, the ratio should be higher in CH3OH due to 13C fractionation in cold CO gas. We also estimate the abundance ratios between the nuclear spin types of methanol (E and A). If methanol is formed on grains, this ratio is likely to have been thermalized at the low physical temperature of the grain, and therefore show a relative over-abundance of A-methanol. Results: We show that the 12C/13C isotopic ratio is very similar in gas-phase CH3OH and C18O, on the spatial scale of about 40", towards four YSOs. For two of our sources we find an overabundance of A-methanol as compared to E-methanol, corresponding to nuclear spin temperatures of 10 and 16 K. For the remaining five sources, the methanol E/A ratio is less than unity. Conclusions: While the 12C/13C ratio test is consistent with methanol formation from hydrogenation of CO on grain surfaces, the result of the E/A ratio test is inconclusive

Astrochemistry in an Ion Storage Ring

Storage ring studies of low energy electron collisions with molecular ions have been carried out for dissociative recombination (DR) of fluorine-bearing molecules. Here we report on work aiming to improve the understanding of astrochemistry involving HF, a possible spectroscopic tracer of interstellar H2. For CF+ the rate coefficient was obtained for temperatures down to 10 K. For D2F+ the DR fragmentation branching ratios were determined to be 66(3)%, 24(2)%, and 10(2)% for the F+D+D, DF+D, and D2+F channels, respectively. The molecular DR products of this reaction, DF and D2, display an unusually high level of internal excitation, close to their dissociation limit

Dissociative recombination measurements of NH+ using an ion storage ring

We have investigated dissociative recombination (DR) of NH+ with electrons using a merged beams configuration at the TSR heavy-ion storage ring located at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. We present our measured absolute merged-beams recombination rate coefficient for collision energies from 0 to 12 eV. From these data, we have extracted a cross section, which we have transformed to a plasma rate coefficient for the collisional plasma temperature range from T pl = 10 to 18,000 K. We show that the NH+ DR rate coefficient data in current astrochemical models are underestimated by up to a factor of approximately nine. Our new data will result in predicted NH+ abundances lower than those calculated by present models. This is in agreement with the sensitivity limits of all observations attempting to detect NH+ in interstellar clouds

Exploring high-energy doubly excited states of NH by dissociative recombination of NH+

We have investigated electron capture by NH+ resulting in dissociative recombination (DR). The impact energies studied of ~4–12 eV extend over the range below the two lowest predicted NH+ dissociative states in the Franck–Condon (FC) region of the ion. Our focus has been on the final state populations of the resulting N and H atoms. The neutral DR fragments are detected downstream of a merged electron and ion beam interaction zone in the TSR storage ring, which is located at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. Transverse fragment distances were measured on a recently developed high count-rate imaging detector. The distance distributions enabled a detailed tracking of the final state populations as a function of the electron collision energy. These can be correlated with doubly excited neutral states in the FC region of the ion. At low electron energy of ~5 eV, the atomic product final levels are nitrogen Rydberg states together with ground-state hydrogen. In a small electron energy interval near 7 eV, a significant part of the final state population forms hydrogen Rydberg atoms with nitrogen atoms in the first excited ($\rm ^2D$) term, showing the effect of Rydberg doubly excited states below the predicted 2 2Π ionic potential. The distance distributions above ~10 eV are compatible with nitrogen Rydberg states correlating to the doubly excited Rydberg state manifold below the ionic 2 4Σ− level

Comment on "Missing Transverse-Doppler Effect in Time-Dilation Experiments with High-Speed Ions"

In an article "Missing Transverse-Doppler Effect in Time-Dilation Experiments with High-Speed Ions" by S. Devasia [arXiv:1003.2970v1], our recent Doppler shift experiments on fast ion beams are reanalyzed. Contrary to our analysis, Devasia concludes that our results provide an "indication of Lorentz violation". We argue that this conclusion is based on a fundamental misunderstanding of our experimental scheme and reiterate that our results are in excellent agreement with Special Relativity

Physics of Neutron Star Crusts

The physics of neutron star crusts is vast, involving many different research fields, from nuclear and condensed matter physics to general relativity. This review summarizes the progress, which has been achieved over the last few years, in modeling neutron star crusts, both at the microscopic and macroscopic levels. The confrontation of these theoretical models with observations is also briefly discussed.Comment: 182 pages, published version available at <http://www.livingreviews.org/lrr-2008-10

Application of the rainbow trout derived intestinal cell line (RTgutGC) for ecotoxicological studies: molecular and cellular responses following exposure to copper.

There is an acknowledged need for in vitro fish intestinal model to help understand dietary exposure to chemicals in the aquatic environment. The presence and use of such models is however largely restrictive due to technical difficulties in the culturing of enterocytes in general and the availability of appropriate established cell lines in particular. In this study, the rainbow trout (Oncorhynchus mykiss) intestinal derived cell line (RTgutGC) was used as a surrogate for the "gut sac" method. To facilitate comparison, RTgutGC cells were grown as monolayers (double-seeded) on permeable Transwell supports leading to a two-compartment intestinal model consisting of polarised epithelium. This two-compartment model divides the system into an upper apical (lumen) and a lower basolateral (portal blood) compartment. In our studies, these cells stained weakly for mucosubstances, expressed the tight junction protein ZO-1 in addition to E-cadherin and revealed the presence of polarised epithelium in addition to microvilli protrusions. The cells also revealed a comparable transepithelial electrical resistance (TEER) to the in vivo situation. Importantly, the cell line tolerated apical saline (1:1 ratio) thus mimicking the intact organ to allow assessment of uptake of compounds across the intestine. Following an exposure over 72 h, our study demonstrated that the RTgutGC cell line under sub-lethal concentrations of copper sulphate (Cu) and modified saline solutions demonstrated uptake of the metal with saturation levels comparable to short term ex situ gut sac preparations. Gene expression analysis revealed no significant influence of pH or time on mRNA expression levels of key stress related genes (i.e. CYP3A, GST, mtA, Pgp and SOD) in the Transwell model. However, significant positive correlations were found between all genes investigated suggesting a co-operative relationship amongst the genes studied. When the outlined characteristics of the cell line are combined with the division of compartments, the RTgutGC double seeded model represents a potential animal replacement model for ecotoxicological studies. Overall, this model could be used to study the effects and predict aquatic gastrointestinal permeability of metals and other environmentally relevant contaminants in a cost effective and high throughput manner

Low-energy Calibration of XENON1T with an Internal 37^{37}Ar Source

A low-energy electronic recoil calibration of XENON1T, a dual-phase xenontime projection chamber, with an internal $^{37}$Ar source was performed. Thiscalibration source features a 35-day half-life and provides two mono-energeticlines at 2.82 keV and 0.27 keV. The photon yield and electron yield at 2.82 keVare measured to be (32.3$\pm$0.3) photons/keV and (40.6$\pm$0.5) electrons/keV,respectively, in agreement with other measurements and with NEST predictions.The electron yield at 0.27 keV is also measured and it is(68.0$^{+6.3}_{-3.7}$) electrons/keV. The $^{37}$Ar calibration confirms thatthe detector is well-understood in the energy region close to the detectionthreshold, with the 2.82 keV line reconstructed at (2.83$\pm$0.02) keV, whichfurther validates the model used to interpret the low-energy electronic recoilexcess previously reported by XENON1T. The ability to efficiently remove argonwith cryogenic distillation after the calibration proves that $^{37}$Ar can beconsidered as a regular calibration source for multi-tonne xenon detectors.<br