Erratum to: The hyperfine excitation of OH radicals by He

Hyperfine-resolved collisions between OH radicals and He atoms are investigated using quantum scattering calculations and the most recent ab initio potential energy surface, which explicitly takes into account the OH vibrational motion. Such collisions play an important role in astrophysics, in particular in the modelling of OH masers. The hyperfine-resolved collision cross sections are calculated for collision energies up to 2500 cm-1 from the nuclear spin free scattering S-matrices using a recoupling technique. The collisional hyperfine propensities observed are discussed. As expected, the results from our work suggest that there is a propensity for collisions with ΔF = Δj. The new OH−He hyperfine cross sections are expected to significantly help in the modelling of OH masers from current and future astronomical observations

New ab initio potential energy surfaces for the ro-vibrational excitation of OH(X-2 Pi) by He

International audienc

A new ab initio potential energy surface for the collisional excitation of N2H(+) by H2

10 pags.; 14 figs.© 2015 AIP Publishing LLC. We compute a new potential energy surface (PES) for the study of the inelastic collisions between N2H+ and H2 molecules. A preliminary study of the reactivity of N2H+ with H2 shows that neglecting reactive channels in collisional excitation studies is certainly valid at low temperatures. The four dimensional (4D) N2H+–H2 PES is obtained from electronic structure calculations using the coupled cluster with single, double, and perturbative triple excitation level of theory. The atoms are described by the augmented correlation consistent triple zeta basis set. Both molecules were treated as rigid rotors. The potential energy surface exhibits a well depth of ≃2530 cm−1. Considering this very deep well, it appears that converged scattering calculations that take into account the rotational structure of both N2H+ and H2 should be very difficult to carry out. To overcome this difficulty, the “adiabatic-hindered-rotor” treatment, which allows para-H2(j = 0) to be treated as if it were spherical, was used in order to reduce the scattering calculations to a 2D problem. The validity of this approach is checked and we find that cross sections and rate coefficients computed from the adiabatic reduced surface are in very good agreement with the full 4D calculationsThis research was supported by the CNRS national program “Physique et Chimie du Milieu Interstellaire.” F.L. and Y.K. also thank the Agence Nationale de la Recherche (ANR-HYDRIDES), contract No. ANR-12-BS05-0011-01. We acknowledge Laurent Pagani for stimulating this work.Peer Reviewe

Hyperfine excitation of CH and OH radicals by He

Context. Because of their high reactivity, the CH and OH radicals are of particular interest in astrochemistry. Modelling of CH and OH requires the calculation of accurate radiative and collisional rate coefficients for (de)excitation by collisions with the most abundant species such as H₂ and He. Aims. The present paper focuses on the calculation of inelastic rate coefficients among the lowest OH/CH hyperfine levels in their ground vibrational state in collisions with He atoms. Methods. Calculations of hyperfine (de)excitation of CH/OH by He were performed using the close-coupling and recoupling methods from the most recent ab initio potential energy surfaces. Results. Cross sections for transitions among the 60 and 56 lowest hyperfine levels of CH and OH, respectively, were calculated for collision energies up to 2500 cm⁻¹. These cross sections were used to calculate the rate coefficients for temperatures between 10 and 300 K. A propensity rule for collisions with ∆F = ∆j was observed. Conclusions. The new rate coefficients will help significantly in interpreting the CH/OH spectroscopic data observed with current and future telescopes, and help to describe accurately the OH masers and the hyperfine anomalies in CH emission spectra

PROSPECTS OF INNOVATIVE COMPUTER TECHNOLOGIES DEVELOPMENT IN HOSPITALITY INDUSTRY

Hospitality industry is one of the most prospective rapidly developing industries of the worls economy. Application of various innovative technologies in the sphere of hospitality is the key element in competitive management of a hotel enterprise. The article analyses modern innovation tendencies in the global market of hospitality management. The main trends of information technologies development and application are examined. Prospects of wide application of artificial intelligence and robotechnics in the future of hotspitality industry are considered

Rheumatoid nodule of the thyrohyoid membrane: a case report

BACKGROUND: Rheumatoid nodules are common extra-articular findings occurring in 20% of rheumatoid arthritis patients. They develop most commonly subcutaneously in pressure areas (elbows and finger joints) and may occasionally affect internal organs including pleura, lungs, meninges, larynx, and in other connective tissues elsewhere in the body CASE PRESENTATION: We present the case of a 62-year-old male who presented with a midline neck mass. Clinically it moved on swallowing and tongue protrusion-suggesting attachment to the thyrohyoid membrane. Ultrasound examination revealed a cystic lesion in the absence of cervical lymphadenopathy in a non-smoker. The neck was explored and histological examination of the excised lesion which was attached to the thyrohyoid membrane revealed a rheumatoid nodule. CONCLUSION: A rheumatoid nodule of the thyrohyoid membrane is very rare. The triple diagnostic scheme of clinical examination supplemented with ultrasound and guided fine needle aspiration for neck lumps remains valid in most cases. If excision is indicated we feel it should be performed in such a manner that the scar tract could easily be encompassed in a neck dissection excision should definitive histological examination be adverse. We suggest that when dealing with patients with established rheumatoid arthritis one should consider a rheumatoid nodule as a differential diagnosis for any swelling on the patient whether it be subcutaneous or deep

Molecular excitation in the Interstellar Medium: recent advances in collisional, radiative and chemical processes

We review the different excitation processes in the interstellar mediumComment: Accepted in Chem. Re

Prophylactic complexes of physiotherapy exerciseswhen planning Pregnancy

The relevance of a research of clinical manifestations and techniques of treatment and prevention of osteochondrosis when planning pregnancy is extremely high, in connection with influence on the patient, the course of pregnancy and the further result of childbirth. The physiology and pathology of bodies of the reproductive sphere, feature of a course of pregnancy and childbirth at women with dorsopatiya are insufficiently studied. Publications of the Russian and foreign authors showed that about 60% of pregnant women feel back pains on different terms of pregnancy. As during pregnancy in a female body there are various changes which can lead to complications during incubation of the child. Especially to physiological and specific changes the bone and articulate system softening not only joints, but also skeleton ligaments is subject. Articulate sheaves in lumbar department of a backbone are also exposed to influence of hormones, and in a complex with increase in weight and need of a deviation of a body can cause back pain back. Among the manifestations of vertebrogenny pathology bringing to pregnant women the greatest sufferings the pain syndrome which amplifies in process of increase in terms of a gestation is on the first place. In article complexes of physiotherapy exercises when planning pregnancy are described.Актуальность исследования клинических проявлений и методик лечения и профилактики остеохондроза при планировании беременности крайне высока, в связи с влиянием на пациента, течение беременности и дальнейший исход родов. Физиология и патология органов репродуктивной сферы, особенности течения беременности и родов у женщин с дорсопатиями недостаточно изучены. Публикации российских и зарубежных авторов показали, что около 60 % беременных женщин испытывают боли в спине на разных сроках беременности [1]. Так как в период беременности в женском организме происходят различные изменения, которые могут привести к осложнениям во время вынашивания ребенка. Особенно к физиологически-специфическим изменениям подвержена костно-суставная система размягчающая не только суставы, но и связки скелета. Суставные связки в поясничном отделе позвоночника также подвергаются влиянию гормонов, а в комплексе с увеличением веса и необходимостью отклонения тела назад может вызывать боль в спине. Среди проявлений вертеброгенной патологии, доставляющих беременным женщинам наибольшие страдания, на первом месте стоит болевой синдром, который усиливается по мере увеличения сроков гестации [5]. В статье описаны комплексы лечебной физкультуры при планировании беременности

Changes to the Fossil Record of Insects through Fifteen Years of Discovery

The first and last occurrences of hexapod families in the fossil record are compiled from publications up to end-2009. The major features of these data are compared with those of previous datasets (1993 and 1994). About a third of families (>400) are new to the fossil record since 1994, over half of the earlier, existing families have experienced changes in their known stratigraphic range and only about ten percent have unchanged ranges. Despite these significant additions to knowledge, the broad pattern of described richness through time remains similar, with described richness increasing steadily through geological history and a shift in dominant taxa, from Palaeoptera and Polyneoptera to Paraneoptera and Holometabola, after the Palaeozoic. However, after detrending, described richness is not well correlated with the earlier datasets, indicating significant changes in shorter-term patterns. There is reduced Palaeozoic richness, peaking at a different time, and a less pronounced Permian decline. A pronounced Triassic peak and decline is shown, and the plateau from the mid Early Cretaceous to the end of the period remains, albeit at substantially higher richness compared to earlier datasets. Origination and extinction rates are broadly similar to before, with a broad decline in both through time but episodic peaks, including end-Permian turnover. Origination more consistently exceeds extinction compared to previous datasets and exceptions are mainly in the Palaeozoic. These changes suggest that some inferences about causal mechanisms in insect macroevolution are likely to differ as well

Rotational excitation of NS+ by H-2 revisited: A new global potential energy surface and rate coefficients

International audienceDue to the lack of specific collisional data, the abundance of NS+ in cold dense interstellar clouds was determined using collisional rate coefficients of CS as a substitute. To better understand the chemistry of sulfur in the interstellar medium, further abundance modeling using the actual NS+ collisional rate coefficients is needed. For this purpose, we have computed the first full 4D potential energy surface of the NS+-H-2 van der Waals complex using the explicitly correlated coupled cluster approach with single, double, and non-iterative triple excitation in conjunction with the augmented-correlation consistent-polarized valence triple zeta basis set. The potential energy surface exhibits a global minimum of 848.24 cm(-1) for a planar configuration of the complex. The long-range interaction energy, described using multipolar moments, is sensitive to the orientation of H-2 up to radial distances of ~50 a(0). From this new interaction potential, we derived excitation cross sections, induced by collision with ortho- and para-H-2, for the 15 low-lying rotational levels of NS+ using the quantum mechanical close-coupling approach. By thermally averaging these data, we determined downward rate coefficients for temperatures up to 50 K. By comparing them with the previous NS+-H-2 data, we demonstrated that reduced dimensional approaches are not suited for this system. In addition, we found that the CS collisional data underestimate our results by up to an order of magnitude. The differences clearly indicate that the abundance of NS+, in cold dense clouds retrieved from observational spectra, must be reassessed using these new collisional rate coefficients