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The study of pulsating stars in eclipsing binaries holds the promise of combining two different ways of measuring the physical properties of a star to obtain improved constraints on stellar theory. Gravity (g) mode pulsations such as those found in $\gamma$ Doradus stars can be used to probe rotational profiles, mixing and magnetic fields. Until recently few $\gamma$ Doradus stars in eclipsing binaries were known. We have discovered g-mode pulsations in four detached eclipsing binary systems from light curves obtained by the Transiting Exoplanet Survey Satellite (TESS) and present an analysis of their eclipses and pulsational characteristics. We find unresolved g-mode pulsations at frequencies 1--1.5 d$^{-1}$ in CM Lac, and measure the masses and radii of the component stars from the TESS data and published radial velocities. MZ Lac shows a much richer frequency spectrum, including pressure modes and tidally-excited g-modes. RX Dra is in the northern continuous viewing zone of TESS so has a light curve covering a full year, but shows relatively few pulsation frequencies. For V2077 Cyg we formally measure four pulsation frequencies, but the available data are inadequate to properly resolve the g-mode pulsations. V2077 Cyg also shows total eclipses, with which we obtain the first measurement of the surface gravity of the faint secondary star. All four systems are bright and good candidates for detailed study. Further TESS observations are scheduled for all four systems, with much improved temporal baselines in the cases of RX Dra and V2077 Cyg., Comment: Accepted for publication in MNRAS. 11 pages, 8 figures, 5 tables. This is the authors' version of the accepted manuscript

Context. The abundances of deuterated molecules with respect to their main isotopologue counterparts have been determined to be orders of magnitude higher than expected from the cosmic abundance of deuterium relative to hydrogen. The increasing number of singly and multi-deuterated species detections helps us to constrain the interplay between gas-phase and solid-state chemistry and to understand better deuterium fractionation in the early stages of star formation. Acetaldehyde is one of the most abundant complex organic molecules (COMs) in star-forming regions and its singly deuterated isotopologues have already been observed towards protostars. Aims. A spectroscopic catalogue for astrophysical purposes is built for doubly deuterated acetaldehyde (CHD2CHO) from measurements in the laboratory. With this accurate catalogue, we aim to search for and detect this species in the interstellar medium and retrieve its column density and abundance. Methods. Sub-millimetre wave transitions were measured for the non-rigid doubly deuterated acetaldehyde CHD2CHO displaying hindered internal rotation of its asymmetrical CHD2 methyl group. An analysis of a dataset consisting of previously measured microwave transitions and of the newly measured ones was carried out with an effective Hamiltonian which accounts for the tunnelling of the asymmetrical methyl group. Results. A line position analysis was carried out, allowing us to reproduce 853 transition frequencies with a weighted root mean square standard deviation of 1.7, varying 40 spectroscopic constants. A spectroscopic catalogue for astrophysical purposes was built from the analysis results. Using this catalogue, we were able to detect, for the first time, CHD2CHO towards the low-mass proto-stellar system IRAS 16293-2422 utilising data from the ALMA Proto-stellar Interferometric Line Survey. Conclusions. The first detection of the CHD2CHO species allowed for the derivation of its column density with a value of 1.3×1015 cm−2 and an uncertainty of 10–20%. The resulting D2/D ratio of ~20% is found to be coincident with D2/D ratios derived for other COMs towards IRAS 16293-2422, pointing to a common formation environment with enhanced deuterium fractionation.

Asteroseismic modelling of the internal structure of main-sequence stars born with a convective core has so far been based on homogeneous analyses of space photometric Kepler light curves of 4 years duration, to which most often incomplete inhomogeneously deduced spectroscopic information was added to break degeneracies. We composed a sample of 111 dwarf gravity-mode pulsators observed by the Kepler space telescope whose light curves allowed for determination of their near-core rotation rates. For this sample we assembled HERMES high-resolution optical spectroscopy at the 1.2-m Mercator telescope. Our spectroscopic information offers additional observational input to also model the envelope layers of these non-radially pulsating dwarfs. We determined stellar parameters and surface abundances in a homogeneous way from atmospheric analysis with spectrum normalisation based on a new machine learning tool. Our results suggest a systematic overestimation of [M/H] in the literature for the studied F-type dwarfs, presumably due to normalisation limitations caused by the dense line spectrum of these rotating stars. CNO-surface abundances were found to be uncorrelated with the rotation properties of the F-type stars. For the B-type stars, we find a hint of deep mixing from C and O abundance ratios; N abundances have too large uncertainties to reveal a correlation with the rotation of the stars. Our spectroscopic stellar parameters and abundance determinations allow for future joint spectroscopic, astrometric (Gaia), and asteroseismic modelling of this legacy sample of gravity-mode pulsators, with the aim to improve our understanding of transport processes in the core-hydrogen burning phase of stellar evolution., Accepted for publication in Astronomy and Astrophysics

The Traditional Approximation of Rotation (TAR) is a treatment of the hydrodynamic equations of rotating and stably stratified fluids in which the action of the Coriolis acceleration along the direction of the entropy and chemical stratifications is neglected because it is weak in comparison with the buoyancy force. The dependent variables in the equations for the dynamics of gravito-inertial waves (GIWs) then become separable into radial and horizontal parts as in the non-rotating case. The TAR is built on the assumptions that the star is spherical (i.e. its centrifugal deformation is neglected) and uniformly rotating. We study the feasibility of carrying out a generalisation of the TAR to account for the centrifugal acceleration in the case of strongly deformed uniformly and rapidly rotating stars (and planets), and to identify the validity domain of this approximation. We built analytically a complete formalism that allows the study of the dynamics of GIWs in spheroidal coordinates which take into account the flattening of rapidly rotating stars by assuming the hierarchies of frequencies adopted within the TAR in the spherical case and by deriving a generalised Laplace tidal equation for the horizontal eigenfunctions of the GIWs and their asymptotic wave periods, which can be used to probe the structure and dynamics of rotating deformed stars with asteroseismology. Using 2D ESTER stellar models, we determine the validity domain of the generalised TAR as a function of the rotation rate of the star normalised by its critical angular velocity and its pseudo-radius. This generalisation allows us to study the signature of the centrifugal effects on GIWs in rapidly rotating deformed stars. We found that the effects of the centrifugal acceleration in rapidly rotating early-type stars on GIWs are theoretically detectable in modern space photometry using observations from Kepler., Comment: 17 pages, 14 figures, 1 table, abstract shortened for arXiv. Accepted for publication in A&A

The Kepler and TESS missions delivered high-precision, long-duration photometric time series for hundreds of main-sequence stars with gravito-inertial (g) pulsation modes. This high precision allows us to evaluate increasingly detailed theoretical stellar models. Recent theoretical work extended the traditional approximation of rotation (TAR), a framework to evaluate the effect of the Coriolis acceleration on g-modes, to include the effects of the centrifugal acceleration in the approximation of slightly deformed stars, which so far had mostly been neglected in asteroseismology. This extension of the TAR was conceived by rederiving the TAR in a centrifugally deformed, spheroidal coordinate system. We explore the effect of the centrifugal acceleration on g modes and assess its detectability in space-based photometry. We implement the new framework to calculate the centrifugal deformation of precomputed 1D spherical stellar structure models and compute the corresponding g-mode frequencies, assuming uniform rotation. The framework is evaluated for a grid of stellar structure models covering a relevant parameter space for observed g-mode pulsators. The centrifugal acceleration modifies the effect of the Coriolis acceleration on g modes, narrowing the equatorial band in which they are trapped. Furthermore, the centrifugal acceleration causes the pulsation periods and period spacings of the most common g modes (prograde dipole modes and r modes) to increase with values similar to the observational uncertainties in Kepler and TESS data. The effect of the centrifugal acceleration on g~modes is formally detectable in modern space photometry. Implementation of the new theoretical framework in stellar structure and pulsation codes will allow for more precise asteroseismic modelling of centrifugally deformed stars, to assess its effect on mode excitation, -trapping and -damping., Comment: 14 pages, 14 figures, 1 table. Resubmitted to A&A after a positive referee report

Purpose: There is marked variation in indications and techniques for hamstring surgery in children with cerebral palsy. There is particular uncertainty regarding the indications for hamstring transfer compared to traditional hamstring lengthening. The purpose of this study was for an international panel of experts to use the Delphi method to establish consensus indications for hamstring surgery in ambulatory children with cerebral palsy. Methods: The panel used a five-level Likert-type scale to record agreement or disagreement with statements regarding hamstring surgery, including surgical indications and techniques, post-operative care, and outcome measures. Consensus was defined as at least 80% of responses being in the highest or lowest two of the five Likert-type ratings. General agreement was defined as 60%–79% falling into the highest or lowest two ratings. There was no agreement if neither of these thresholds was reached. Results: The panel reached consensus or general agreement for 38 (84%) of 45 statements regarding hamstring surgery. The panel noted the importance of assessing pelvic tilt during gait when considering hamstring surgery, and also that lateral hamstring lengthening is rarely needed, particularly at the index surgery. They noted that repeat hamstring lengthening often has poor outcomes. The panel was divided regarding hamstring transfer surgery, with only half performing such surgery. Conclusion: The results of this study can help pediatric orthopedic surgeons optimize decision-making in their choice and practice of hamstring surgery for ambulatory children with cerebral palsy. This has the potential to reduce practice variation and significantly improve outcomes for ambulatory children with cerebral palsy. Level of evidence: level V.

Complex organic molecules with three carbon atoms are found in the earliest stages of star formation. In particular, propenal (C$_2$H$_3$CHO) is a species of interest due to its implication in the formation of more complex species and even biotic molecules. This study aims to search for the presence of C$_2$H$_3$CHO and other three-carbon species such as propylene (C$_3$H$_6$) in the hot corino region of the low-mass protostellar binary IRAS 16293--2422 to understand their formation pathways. We use ALMA observations in Band 6 and 7 from various surveys to search for the presence of C$_3$H$_6$ and C$_2$H$_3$CHO towards the protostar IRAS 16293--2422 B (IRAS 16293B). We report the detection of both C$_3$H$_6$ and C$_2$H$_3$CHO towards IRAS 16293B, however, no unblended lines were found towards the other component of the binary system, IRAS 16293A. We derive column density upper limits for C$_3$H$_8$, HCCCHO, n-C$_3$H$_7$OH, i-C$_3$H$_7$OH, C$_3$O, and cis-HC(O)CHO towards IRAS 16293B. We then use a three-phase chemical model to simulate the formation of these species in a typical prestellar environment followed by its hydrodynamical collapse until the birth of the central protostar. Different formation paths, such as successive hydrogenation and radical-radical additions on grain surfaces, are tested and compared to the observational results. The simulations reproduce the abundances within one order of magnitude from those observed towards IRAS 16293B, with the best agreement found for a rate of $10^{-12}$ cm$^3$ s$^{-1}$ for the gas-phase reaction C$_3$ + O $\rightarrow$ C$_2$ + CO. Successive hydrogenations of C$_3$, HC(O)CHO, and CH$_3$OCHO on grain surfaces are a major and crucial formation route of complex organics molecules, whereas both successive hydrogenation pathways and radical-radical addition reactions contribute to the formation of C$_2$H$_5$CHO., Comment: Accepted for publication in A&A. 24 pages, 17 figures

Multi-dimensional (magneto-)hydrodynamical simulations of physical processes in stellar interiors depend on a multitude of uncalibrated free parameters, which set the spatial and time scales of their computations. We aim to provide an asteroseismic calibration of the wave and convective Rossby numbers, and of the stiffness at the interface between the convective core and radiative envelope of intermediate-mass stars. We deduce these quantities for rotating dwarfs from the observed properties of their identified gravity and gravito-inertial modes. We rely on near-core rotation rates and asteroseismic models of 26 B- and 37 F-type dwarf pulsators derived from 4-year Kepler space photometry, high-resolution spectroscopy and Gaia astrometry in the literature to deduce their convective and wave Rossby numbers. We compute the stiffness at the convection/radiation interface from the inferred maximum buoyancy frequency at the interface and the convective turnover frequency in the core. We use those asteroseismically inferred quantities to make predictions of convective penetration levels, local flux levels of gravito-inertial waves triggered by the convective core, and of the cores' potential rotational and magnetic states. Our sample of 63 gravito-inertial mode pulsators covers near-core rotation rates from almost zero up to the critical rate. The frequencies of their identified modes lead to models with stiffness values between $10^{2.69}$ and $10^{3.60}$ for the B-type pulsators, while those of F-type stars cover the range from $10^{3.47}$ to $10^{4.52}$. The convective Rossby numbers derived from the maximum convective diffusion coefficient in the convective core, based on mixing length theory and a value of the mixing length coefficient relevant for these pulsators, vary between $10^{-2.3}$ and $10^{-0.8}$ for B-type stars and $10^{-3}$ and $10^{-1.5}$ for F-type stars. (abridged), Comment: 10 pages, 8 figures, accepted for publication in Astronomy & Astrophysics, version adapted to proofs

We aim to unravel the interior mixing profile of the pulsating eclipsing binary KIC9850387 by comparing its dynamical parameters and the parameters derived through a combination of evolutionary and asteroseismic modelling. We created a grid of stellar evolutionary models using the stellar evolutionary code \textsc{mesa} and performed an isochrone-cloud (isocloud) based evolutionary modelling of the system. We then generated a grid of pulsational models using the stellar pulsation code \textsc{gyre} based on the age constraints from the evolutionary modelling. Finally, we performed asteroseismic modelling of the observed $\ell=1$ and $\ell=2$ period-spacing patterns, utilising different combinations of observational constraints, merit functions, and asteroseismic observables to obtain strong constraints on the interior properties of the primary star. Through a combination of asteroseismic modelling and dynamical constraints, we found that the system comprises two main-sequence components at an age of $1.2\pm0.1$ Gyr. We also observed that asteroseismic modelling provided stronger constraints on the interior properties than evolutionary modelling. Overall, we found high levels of interior mixing and posited that this is a result of intrinsic non-tidal mixing mechanisms due to a similar observed behaviour in single stars. We investigated the high-frequency regime of KIC9850387 and found evidence of the surface effect as well as rotational splitting in the form of a prograde-retrograde dipole g$_{1}$ mode doublet with a missing zonal mode. We find that the dynamical parameters and the parameters extracted from the asteroseismic modelling of period-spacing patterns are only barely compliant, reinforcing the need for homogeneous analyses of samples of pulsating eclipsing binaries that aim to calibrating interior mixing profiles., 21 pages, 18 figures, accepted for publication in A&A

In $\gamma$ Doradus stars, the g-mode period spacing shows an approximately linear relation with period. The slope is a new asteroseismic diagnostic, related to the rotation rate and the azimuthal order $m$. We report two automated methods, the `moving-window Fourier transform' and the `cross-correlation', to detect and measure the period spacings based on four-year light curves from the \textit{Kepler} satellite. The results show that the cross-correlation method performs better at detecting the period spacings and their slopes. In this paper, we apply our method to 22 $\gamma$ Dor stars with g-mode multiplets split by rotation. The rotation periods are similar to the g-mode period spacings, causing the multiplets to overlap. To clarify the overlapping patterns, we use the \'echelle diagram and introduce a `copy-shift' diagram to discern and measure the splittings. The first observational relation between slopes and splittings is shown. The slope deviates from zero when the splitting increases, as the theory predicts. We found that what appears to be rotational splittings in two stars is in fact caused by two nearly-identical overlapping patterns from binaries., Comment: 38 pages, 66 figures, Accepted by MNRAS

We report our survey of γ Dor stars from the 4-yr Kepler mission. These stars pulsate mainly in g modes and r modes, showing period-spacing patterns in the amplitude spectra. The period-spacing patterns are sensitive to the chemical composition gradients and the near-core rotation, hence they are essential for understanding the stellar interior. We identified period-spacing patterns in 611 γ Dor stars. Almost every star pulsates in dipole g modes, while about 30% of stars also show clear patterns for quadrupole g modes and 16% of stars present r mode patterns. We measure periods, period spacings, and the gradient of the period spacings. These three observables guide the mode identifications and can be used to estimate the near-core rotation rate. We find many stars are hotter and show longer period-spacing patterns than theory. Using the Traditional Approximation of Rotation (TAR), we inferred the asymptotic spacings, the near-core rotation rates, and the radial orders of the g and r modes. Most stars have a near-core rotation rate around 1 d−1and an asymptotic spacing around 4000 s. We also find that many stars rotate more slowly than predicted by theory for unclear reasons. 11 stars show rotational splittings with fast rotation rates. We compared the observed slope–rotation relation with the theory and find a large spread. We detected rotational modulations in 58 stars and used them to derive the core-to-surface rotation ratios. The interiors rotate faster than the cores in most stars, but by no more than 5%.

Rossby modes are the oscillations in a rotating fluid, whose restoring force is the Coriolis force. They provide an additional diagnostic to understand the rotation of stars, which complicates asteroseismic modelling. We report 82 $\gamma$\,Doradus stars for which clear period spacing patterns of both gravity and Rossby modes have been detected. The period spacings of both show a quasi-linear relation with the pulsation period but the slope is negative for the gravity modes and positive for the Rossby modes. Most Rossby modes have $k=-2, m=-1$. For only one star a series of $k=-1,m=-1$ modes is seen. For each pattern, the mean pulsation period, the mean period spacing, and the slope are measured. We find that the slope correlates with the mean period for Rossby mode patterns. The traditional approximation of rotation is used to measure the near-core rotation rate, assuming the star rotates rigidly. We report the near-core rotation rates, the asymptotic period spacings, and the radial orders of excited modes of these 82 main-sequence stars. The near-core rotation rates lie between $0.6\,\mathrm{d^{-1}}$ and $2.3\,\mathrm{d^{-1}}$. Six stars show surface rotation modulations, among which only KIC\,3341457 shows differential rotation while the other five stars have uniform rotations. The radial orders of excited modes show different distributions for the dipole and quadrupole gravity modes versus the Rossby modes.

Context. Stellar magnetic fields are one of the candidates often invoked to explain the missing transport of angular momentum observed in the models of stellar interiors. However, the properties of an internal magnetic field and the consequences of its presence on stellar evolution are largely unknown. Aims. We study the effect of an axisymmetric internal magnetic field on the frequency of gravity modes in rapidly rotating stars to check whether gravity modes can be used to detect and probe such a field. Methods. Rotation is taken into account using the traditional approximation of rotation and the effect of the magnetic field is computed using a perturbative approach. As a proof of concept, we compute frequency shifts due to a mixed (i.e. with both poloidal and toroidal components) fossil magnetic field for a representative model of a known magnetic, rapidly rotating, slowly pulsating B-type star, namely HD 43317. Results. We find that frequency shifts induced by the magnetic field scale with the square of its amplitude. A magnetic field with a near-core strength of order 150 kG (which is consistent with the observed surface field strength of order 1 kG) leads to signatures that are detectable in period spacings for high-radial-order gravity modes. Conclusions. The predicted frequency shifts can be used to constrain internal magnetic fields and offers the potential for a significant step forward in our interpretation of the observed structure of gravity-mode period spacing patterns in rapidly rotating stars., Comment: 9 pages, 5 figures, 1 table, accepted in A&A

We develop a novel method based on machine learning principles to achieve optimal initiation of CPU-intensive computations for forward asteroseismic modeling in a multi-D parameter space. A deep neural network is trained on a precomputed asteroseismology grid containing about 62 million coherent oscillation-mode frequencies derived from stellar evolution models. These models are representative of the core-hydrogen burning stage of intermediate-mass and high-mass stars. The evolution models constitute a 6D parameter space and their predicted low-degree pressure- and gravity-mode oscillations are scanned, using a genetic algorithm. A software pipeline is created to find the best fitting stellar parameters for a given set of observed oscillation frequencies. The proposed method finds the optimal regions in the 6D parameters space in less than a minute, hence providing the optimal starting point for further and more detailed forward asteroseismic modeling in a high-dimensional context. We test and apply the method to seven pulsating stars that were previously modeled asteroseismically by classical grid-based forward modeling based on a $\chi^2$ statistic and obtain good agreement with past results. Our deep learning methodology opens up the application of asteroseismic modeling in +6D parameter space for thousands of stars pulsating in coherent modes with long lifetimes observed by the $Kepler$ space telescope and to be discovered with the TESS and PLATO space missions, while applications so far were done star-by-star for only a handful of cases. Our method is open source and can be used by anyone freely., Comment: Accepted for publication in PASP Speciale Volume on Machine Learning

We present the discovery of three new $\beta$ Cep pulsators, three new pulsators with frequency groupings, and frequency patterns in a B3Ib star, all of which show pulsations with frequencies as high as about 17 d$^{-1}$, with K2 space mission photometry. Based on a Fourier analysis and iterative pre-whitening we present a classification and evaluate the potential for asteroseismic modelling. We include the lists of pulsation frequencies for three new $\beta$ Cep pulsators, CD-28 12286, CD-27 10876, LS 3978, and additional pulsation mode frequencies for the known $\beta$ Cep pulsator HD 164741. In addition we characterise the regular frequency spacing found in the new pulsator HD 169173, and discuss its origin. We place the newly discovered variables in a colour-magnitude diagram using parallaxes from Gaia-DR2, showcasing their approximate location in the massive star domain. The identified frequency lists of these multiperiodic pulsators are a good starting point for future forward seismic modelling, after identification of at least one pulsation frequency from high-resolution time series spectroscopy and/or multi-colour photometry., Comment: Accepted for publication in MNRAS, 18 pages, 12 figures, 11 tables

The space-based Kepler mission provided four years of highly precise and almost uninterrupted photometry for hundreds of $\gamma$ Doradus stars and tens of SPB stars, finally allowing us to apply asteroseismology to these gravity mode pulsators. Without rotation, gravity modes are equally spaced in period. This simple structure does not hold in rotating stars for which rotation needs to be taken into account to accurately interpret the oscillation spectrum. We aim to develop a stellar-model-independent method to analyse and interpret the oscillation spectrum of $\gamma$ Dor and SPB stars. Within the traditional approximation of rotation, we highlight the possibility of recovering the equidistance of period spacings by stretching the pulsation periods. The stretching function depends on the degree and azimuthal order of gravity modes and the rotation rate of the star. In this new stretched space, the pulsation modes are regularly spaced by the stellar buoyancy radius. On the basis of this property, we implemented a method to search for these new regularities and simultaneously infer the rotation frequency and buoyancy radius. Tests on synthetic spectra computed with a non-perturbative approach show that we can retrieve these two parameters with reasonable accuracy along with the mode identification. In uniformly rotating models of a typical $\gamma$ Dor star, and for the most observed prograde dipole modes, we show that the accuracy on the derived parameters is better than 5% on both the internal rotation rate and the buoyancy radius. Finally, we apply the method to two stars of the Kepler field, a $\gamma$ Dor and an SPB, and compare our results with those of other existing methods. We provide a stellar-model-independent method to obtain the near-core rotation rate, the buoyancy radius and mode identification from g-mode spectra of $\gamma$ Dor and SPB stars., Comment: 15 pages, 9 figures, accepted for publication in A&A

The differentially rotating outer layers of stars are thought to play a role in driving their magnetic activity, but the underlying mechanisms that generate and sustain differential rotation are poorly understood. We report the measurement of latitudinal differential rotation in the convection zones of 40 Sun-like stars using asteroseismology. For the most significant detections, the stars' equators rotate approximately twice as fast as their mid-latitudes. The latitudinal shear inferred from asteroseismology is much larger than predictions from numerical simulations., 45 pages, 11 figures, 4 tables, published in Science

The Fourier spectrum of the $\gamma$-Dor variable KIC 5608334 shows remarkable frequency groups at $\sim$3, $\sim$6, $\sim$9, and 11--12\,d$^{-1}$. We explain the four frequency groups as prograde sectoral g modes in a rapidly rotating star. Frequencies of intermediate-to-high radial order prograde sectoral g modes in a rapidly rotating star are proportional to $|m|$ (i.e., $\nu \propto |m|$) in the co-rotating frame as well as in the inertial frame. This property is consistent with the frequency groups of KIC 5608334 as well as the period vs. period-spacing relation present within each frequency group, if we assume a rotation frequency of $2.2$\,d$^{-1}$, and that each frequency group consists of prograde sectoral g modes of $|m| = 1, 2, 3,$ and 4, respectively. In addition, these modes naturally satisfy near-resonance conditions $\nu_i\approx\nu_j+\nu_k$ with $m_i=m_j+m_k$. We even find exact resonance frequency conditions (within the precise measurement uncertainties) in many cases, which correspond to combination frequencies., Comment: 12 pages, 10 figures; accepted for publication in MNRAS

We propose a methodological framework to perform forward asteroseismic modeling of stars with a convective core, based on gravity-mode oscillations. These probe the near-core region in the deep stellar interior. The modeling relies on a set of observed high-precision oscillation frequencies of low-degree coherent gravity modes with long lifetimes and their observational uncertainties. Identification of the mode degree and azimuthal order is assumed to be achieved from rotational splitting and/or from period spacing patterns. This paper has two major outcomes. The first is a comprehensive list and discussion of the major uncertainties of theoretically predicted gravity-mode oscillation frequencies based on linear pulsation theory, caused by fixing choices of the input physics for evolutionary models. Guided by a hierarchy among these uncertainties of theoretical frequencies, we subsequently provide a global methodological scheme to achieve forward asteroseismic modeling. We properly take into account correlations amongst the free parameters included in stellar models. Aside from the stellar mass, metalicity and age, the major parameters to be estimated are the near-core rotation rate, the amount of convective core overshooting, and the level of chemical mixing in the radiative zones. This modeling scheme allows for maximum likelihood estimation of the stellar parameters for fixed input physics of the equilibrium models, followed by stellar model selection considering various choices of the input physics. Our approach uses the Mahalanobis distance instead of the often used $\chi^2$ statistic and includes heteroscedasticity. It provides estimation of the unknown variance of the theoretically predicted oscillation frequencies., Comment: Accepted for publication in The Astrophysical Journal Supplement Series, 45 pages, 2 tables, 18 figures

We present the first data release of the Kepler Smear Campaign, using collateral 'smear' data obtained in the Kepler four-year mission to reconstruct light curves of 102 stars too bright to have been otherwise targeted. We describe the pipeline developed to extract and calibrate these light curves, and show that we attain photometric precision comparable to stars analyzed by the standard pipeline in the nominal Kepler mission. In this paper, aside from publishing the light curves of these stars, we focus on 66 red giants for which we detect solar-like oscillations, characterizing 33 of these in detail with spectroscopic chemical abundances and asteroseismic masses as benchmark stars. We also classify the whole sample, finding nearly all to be variable, with classical pulsations and binary effects. All source code, light curves, TRES spectra, and asteroseismic and stellar parameters are publicly available as a Kepler legacy sample., Comment: 35 pages, accepted ApJS

Space photometric time series of the most massive members of the young open cluster NGC 2264 allow us to study their different sources of variability down to the millimagnitude level and permits a search for Slowly Pulsating B (SPB) type pulsation among objects that are only a few million years old. Our goal is to conduct a homogeneous study of young B type stars in the cluster NGC 2264 using photometric time series from space in combination with high-resolution spectroscopy and spectropolarimetry obtained from the ground. The latter will be presented in a separate follow-up article. We performed frequency analyses for eleven B stars in the field of the young cluster NGC 2264 using photometric time series from the MOST, CoRoT and Spitzer space telescopes and the routines Period04 and SigSpec. We employ the MESA stellar evolution code in combination with the oscillation code GYRE to identify the pulsation modes for two SPB stars which exhibit short period spacing series. From our analysis we identify four objects that show SPB pulsations, five stars that show rotational modulation of their light curves caused by spots, one star that is identified to be a binary, and one object in the field of the cluster that is found to be a non-member Be star. In two SPB stars we detect a number of regularly spaced pulsation modes that are compatible with being members of a g mode period series. Despite NGC 2264's young age, our analysis illustrates that its B type members have already arrived on the zero-age main sequence (ZAMS). Our asteroseismic analysis yields masses between 4 and 6 Msun and ages between 1 and 6 million years, which agree well to the overall cluster age., 19 pages, 20 figures, accepted for publication in Astronomy & Astrophysics

International audience; The microwave spectrum, of 2-propynylhydrazine (HC CCH2NHNH2) was investigated in the 23-124 GHz spectral interval. The spectra of two conformers denoted I and II were assigned. I is the lower-energy form, and relative intensity measurements yielded an internal energy difference of 3.0(4) kJ/mol between I and II. The spectra of the ground and five vibrationally excited states were assigned for I, whereas only the spectrum of the ground vibrational state was assigned for II. Both I and II are each stabilized simultaneously,by two intramolecular hydrogen bonds. The first of these hydrogen bonds is formed between the hydrogen atom of the -NH- part of the hydrazino group, and the second internal hydrogen bond is formed between One of the hydrogen atoms. of the -NH2 part. The pi-electrons of the triple bond is thus shared by these two hydrogen atoms. The shortest contact between a hydrogen atom of the hydrazino group and. the pi-electrons of the ethynyl group is, found in lower-energy conformer I. The conformational properties of 2-propynylhydrazine were explored by MP2/cc-pVTZ and CCSD/cc-pVQZ calculations. The CCSD method predicts that seven rotameric forms exist for this compound. Five of these rotamers are stabilized by internal hydrogen bonding. The simultaneous sharing of the pi-electrons Of the triple bond by two hydrogen atoms occurs only in Conformers I and II, which are predicted to be the two forms with the lowest energies, with I 2.52 kJ/mol lower hi energy than II. The effective rotational constants of the ground vibrational states of I and II were predicted by a combination of MP2 and CCSD calculations, whereas centrifugal distortion constants and vibration-rotation Constants were calculated by the MP2 method. The theoretical spectroscopic constants are compared with,the experimental counterparts. It is concluded that more refined calculations are necessary to obtain complete agreement.

Study design Descriptive study, cross-sectional design. Background Tennis requires repetitive overhead movement patterns that can lead to upper extremity injury. The scapula plays a vital role in injury-free playing. Scapular dysfunction has been associated with shoulder injury in the overhead athlete. Objectives The purpose of this study was to describe variables regarding scapular position, muscle strength and flexibility in young elite tennis players. Methods Thirty-five adolescent Swedish elite tennis players (19 boys, aged 13.6 (+/-1.4) years, 16 girls, aged 12.6 (+/-1.3) years), selected on the basis of their national ranking, underwent a clinical screening protocol consisting of: scapular upward rotation at several angles of arm elevation; isometric scapular muscle strength; and anthropometric measurement of pectoralis minor (PM) length. Results The players showed significantly more scapular upward rotation on their dominant side (p

A number of vibrational frequencies in the ground state of N-methylpyrrole (C4H4NCH3) have been determined via laser-induced dispersed fluorescence spectra recorded under jet-cooled conditions. Eight vibronic levels of the symmetry forbidden 3s(A(2))S-1

Protein low-frequency vibrational modes are an important portion of a proteins' dynamical repertoire. Yet, it is notoriously difficult to isolate specific vibrational features in the spectra of proteins. Given an appropriately chosen model peptide, and using different experimental conditions, we can simplify the system and gain useful insights into the protein vibrational properties. Combining neutron scattering, depolarized light scattering, and molecular dynamics simulations, we analyse the low frequency vibrations of biological molecules, comparing the results from a small globular protein, lysozyme, and an amphiphilic peptide, NALMA, both in solution and in powder states. Lysozyme and NALMA present similar spectral features in the frequency range between 1 and 10 THz. With the aid of MD simulations, we assign the spectral features to methyl groups' librations (1-5 THz) and hindered torsions (5-10 THz) in NALMA. Our data also show that, while proteins display boson peak vibrations in both powder and solution forms, NALMA exhibits boson peak vibrations in powder form only. This provides insight into the nature of this feature, suggesting a connection of BP collective motions to a characteristic length scale of heterogeneities present in the system. These results provide context for the use of model peptide systems to study protein dynamics; demonstrating both their utility, and the great care that has to be used in extrapolating results observed in powder to solutions.

The pure rotational spectra of 1,1,1-trifluoro-2-butanone and its four C-13 isotopologues have been studied using the new chirped-pulsed Fourier transform microwave spectrometer at the University of Manitoba in combination with a conventional Balle-Flygare-type instrument. Quantum chemical calculations, at the MP2/6-311++G(d,p) level, were carried out to obtain information about the structure, relative stability, and difference in populations of the three lowest energy conformers corresponding to dihedral angles of 0 degrees, 82.8 degrees, and 119.2 degrees along the carbon back-bone. The observed spectra are that of conformer I (dihedral angle 0), and, based on analysis of the observed splitting, the V-3 barrier to internal rotation of the methyl group has been determined to be 9.380(5) kJ mol(-1). The spectroscopic constants of the five isotopologues were used to precisely derive the r(s) and partial r(0) geometries of this conformer based on an assumed planar carbon backbone (as supported by the spectra and ab initio calculations).

A compilation of the available spectroscopic millimeter- and submillimeter-wave data of the ground and first excited states of C-13(1)-methyl formate ((HCOOCH3)-C-13) has been carried out. The exhaustive analysis of the available transition lines of (HCOOCH3)-C-13 has led to the assignment of 7457 spectral lines by means of a global fit of 45 parameters, using the Rho-Axis Method and the BELGI-Cs code, with a resulting unitless standard deviation of 0.57. Over 1600 lines are included for the first time in the fit. In addition, the line strengths of spectral lines are also calculated using the most recent experimental measurement of the electric dipole moment. In conclusion, the present study represents a notable improvement with respect to previous (HCOOCH3)-C-13 spectral analyses. Therefore, the better accuracy of the present analysis may help the future identification of new (HCOOCH3)-C-13 lines in the interstellar and circumstellar media, and may contribute to decrease some of the spectral confusion due to these species in astronomical surveys.

By making use of a novel diastereotopicity probe, namely C(CF(3))(2)OH, it has been possible to measure by very low temperature (19)F NMR spectroscopy the elusive aryl-aryl rotation barriers of biphenyls bearing an OH or F group in one ortho position. The experimental values (5.4 and 4.4 kcal mol(-1), respectively) are matched by those from ab initio calculations (5.3 and 4.3 kcal mol(-1), respectively).

The size of a series of typical substituents has been probed by dynamic NMR measurements of the barriers to aryl-aryl rotation of the corresponding biphenyls. The resulting B values are meaningful because only mono-ortho substituted compounds were investigated and thus the results are not compromised by the non-additivity of multiple steric effects. On the basis of the chosen model system ethynyl and cyano groups were found to be slightly smaller than a phenyl ring. In contrast, vinyl and, in particular, formyl groups proved to be larger than phenyl. The latter difference is due to the loss of conjugation forces at the planar transition state. Alpha-Hydroxyhexafluoroisopropyl is slightly more bulky than tert-butyl. Pentafluorophenyl and trifluoromethoxy exhibit nearly the same effective size as phenyl and methoxy, respectively. Trifluoromethyl is somewhat smaller than isopropyl.

The molecular structure and conformational properties of S -ethyl trifluorothioacetate, CF3 COSCH2 CH3, were determined in the gas phase by electron diffraction and vibrational spectroscopy (IR and Raman). The experimental investigations were supplemented by ab initio (Møller Plesset of second order) and density functional theory quantum chemical calculations at different levels of theory. Both experimental and theoretical methods reveal two structures with Cs (anti, anti) and C1 (anti, gauche) symmetries, although there are disagreements about which is more stable. The electron diffraction intensities are best interpreted with a mixture of 51(3)% anti, anti and 49(3)% anti, gauche conformers. This conformational preference was studied using the total energy scheme and the natural bond orbital scheme. In addition, the infrared spectra of CF3 COSCH2 CH3 are reported for the gas, liquid and solid phases as well as the Raman spectrum of the liquid. Using calculated frequencies as a guide, evidence for both Cs and C1 structures is obtained in the IR spectra. Harmonic vibrational frequencies and scaled force fields have been calculated for both conformers. Fil: Defonsi Lestard, Maria Eliana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química Física; Argentina Fil: Tuttolomondo, María Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química Física; Argentina Fil: Wann, Derek A.. University of Edinburgh; Reino Unido Fil: Robertson, Heather E.. University of Edinburgh; Reino Unido Fil: Rankin, David W. H.. University of Edinburgh; Reino Unido Fil: Ben Altabef, Aída. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química Física; Argentina

Despite the tremendous advances made by the ab initio theory of electronic structure of atoms and molecules, its applications are still not possible for very large systems. Therefore, semi-empirical model Hamiltonians based on the zero-differential overlap (ZDO) approach such as the Pariser-Parr-Pople, CNDO, INDO, etc. provide attractive, and computationally tractable, alternatives to the ab initio treatment of large systems. In this paper we describe a Fortran 90 computer program developed by us, that uses CNDO/2 and INDO methods to solve Hartree-Fock(HF) equation for molecular systems. The INDO method can be used for the molecules containing the first-row atoms, while the CNDO/2 method is applicable to those containing both the first-, and the second-row, atoms. We have paid particular attention to computational efficiency while developing the code, and, therefore, it allows us to perform calculations on large molecules such as C_60 on small computers within a matter of seconds. Besides being able to compute the molecular orbitals and total energies, our code is also able to compute properties such as the electric dipole moment, Mulliken population analysis, and linear optical absorption spectrum of the system. We also demonstrate how the program can be used to compute the total energy per unit cell of a polymer. The applications presented in this paper include small organic and inorganic molecules, fullerene C_60, and model polymeric systems, viz., chains containing alternating boron and nitrogen atoms (BN chain), and carbon atoms (C chain)., 29 pages, 3 figures, to appear in Computer Physics Communications

The first spectroscopic study of the 3p (2) A ''(2) 2+ 1 REMPI spectrum. (C) 2007 Elsevier B.V. All rights reserved. Chemical Physics Letters

Context: A number of pulsating stars with rotational splittings have been observed thanks to the CoRoT and Kepler missions. This is particularly true of evolved (sub-giant and giant) stars, and has led various groups to investigate their rotation profiles via different methods. Aims: We would like to set up some criteria which will help us to know whether a decreasing rotation profile, or one which satisfies Rayleigh's stability criterion, is compatible with a set of observed rotational splittings for a given reference model. Methods: We derive inequalities on the rotational splittings using a reformulated version of the equation which relates the splittings to the rotation profile and kernels. Results: These inequalities are tested out on some simple examples. The first examples show how they are able to reveal when a rotation profile is increasing somewhere or inconsistent with Rayleigh's criterion in a main sequence star, depending on the profile and the $\ell$ values of the splittings. The next example illustrates how a slight mismatch between an observed evolved star and a reference model can lead to erroneous conclusions about the rotation profile. We also show how frequency differences between the star and the model, which should normally reveal this mismatch, can be masked by frequency corrections for near-surface effects., 15 pages, 19 figures, accepted for publication in A&A

Two-color (1 + 1') REMPI mass spectra of o-, m- and p-fluorophenol.ammonia (1 ration) clusters were measured with a long delay time between excitation and ionization lasers. The appearance of NH(4)(NH(3))(n-1)(+) with 100 ns delay after exciting the S(1) state is a strong indication of generation of long-lived species via S(1). In analogy with the phenol.ammonia clusters, we conclude that an excited state hydrogen transfer reaction occurs in o-, m- and p-fluorophenol.ammonia clusters. The S(1)-S(0) transition of o-, m- and p-fluorophenol.ammonia (1 : 1) clusters were measured by the (1 + 1') REMPI spectra, while larger (1 ration) cluster (n = 2-4) were observed by monitoring the long-lived NH(4)(NH(3))(n-1) clusters action spectra. The vibronic structures of m- and p-fluorophenol.ammonia clusters are assigned based on vibrational calculations in S(0). The o-fluorophenol.ammonia (1 : 1) cluster shows an anharmonic progression that is analyzed by a one-dimensional internal rotational motion of the ammonia molecule. The interaction between the ammonia molecule and the fluorine atom, and its change upon electronic excitation are suggested. The broad action spectra observed for the o-fluorophenol.ammonia (1 : n) cluster (n== 2) suggest the excited state hydrogen transfer is faster than in m- and p-fluorophenol.ammonia clusters. The different reaction rates between o-, m- and p-fluorophenol.ammonia clusters are found from comparison between the REMPI and action spectra.

Ab initio calculations have been performed for both H-atom and Cl-atom abstraction reactions by the hydroxyl radical. Geometry optimization and vibrational frequencies analysis were performed for reactants, transition state and products at the MP2(full)/cc-pVTZ level of theory. On the basis of the ab initio data, the rate constants have been deduced over a wide temperature range, 200-2000 K, using conventional transition state theory, including Wigner tunneling correction and the hindered rotor approximation. Calculated transition state rate constants with Wigner tunneling correction are in good agreement with experimental results. The tunneling contribution becomes important at ambient temperatures, resulting in the exhibited non-Arrhenius behavior of the rate constant. (c) 2004 Elsevier B.V. All rights reserved. Chemical Physics

Homogeneous dimers of phenylsilane, formed in a rare-gas seeded supersonic expansion have been studied by laser resonant two-photon ionization combined with a time-of-flight mass spectrometer. The resonant intermediate states are the S-1 (270 nm) and S-2 (210 nm) ones. The ionization of phenylsilane monomer is inefficient at 210 nm whereas phenylsilane homo-dimers are resonantly ionized with high efficiency at this wavelength region. The wavelength dependence of the dimer at S-1

Two allylbenzene conformers have been identified using resonance-enhanced multiphoton ionization spectroscopy (REMPI) in a supersonic jet expansion. Their existence has been confirmed by the vibrational analysis of the S-1

The torsional barriers of 2'-substituted 2-arylpyridines have been probed experimentally (by using dynamic NMR spectroscopy) and computationally (by using density functional theory). Due to the compressibility of the lone pair, the torsional barriers of the arylpyridines are up to 4.2 kcal/mol smaller than those of the carba-analogous biphenyls. Furthermore, the ground states of the 2-arylpyridines are less twisted than those of the biphenyls. Finally, due to an out-of-collinearity distortion, the intramolecular repulsion is attenuated in both rotational transition states, in the syn coplanar conformer (in which the pyridine nitrogen and the substituent R face each other) and in the anti coplanar conformer (in which they are on opposite sides of the molecule).