Identification of target-specific bioisosteric fragments from ligand-protein crystallographic data

Bioisosteres are functional groups or atoms that are structurally different but that can form similar intermolecular interactions. Potential bioisosteres were identified here from analysing the X-ray crystallographic structures for sets of different ligands complexed with a fixed protein. The protein was used to align the ligands with each other, and then pairs of ligands compared to identify substructural features with high volume overlap that occurred in approximately the same region of geometric space. The resulting pairs of substructural features can suggest potential bioisosteric replacements for use in lead-optimisation studies. Experiments with 12 sets of ligand-protein complexes from the Protein Data Bank demonstrate the effectiveness of the procedure

In search of lost hybridity: the French Daniel Deronda

Starting from a set of examples of borrowings from French in George Eliot’s Daniel Deronda, I explore the various ways in which the characters’ and narrator’s use of mixed English–French utterances generates inferences which make the transcending of their mono-cultural self possible. I go on to argue that in Jumeau’s recent French translation of the novel, the reader is not given access to those inferences, resulting in the erasing of an Anglo-European, cosmopolitan identity

First narrow-band search for continuous gravitational waves from known pulsars in advanced detector data

Spinning neutron stars asymmetric with respect to their rotation axis are potential sources of continuous gravitational waves for ground-based interferometric detectors. In the case of known pulsars a fully coherent search, based on matched filtering, which uses the position and rotational parameters obtained from electromagnetic observations, can be carried out. Matched filtering maximizes the signalto- noise (SNR) ratio, but a large sensitivity loss is expected in case of even a very small mismatch between the assumed and the true signal parameters. For this reason, narrow-band analysis methods have been developed, allowing a fully coherent search for gravitational waves from known pulsars over a fraction of a hertz and several spin-down values. In this paper we describe a narrow-band search of 11 pulsars using data from Advanced LIGO’s first observing run. Although we have found several initial outliers, further studies show no significant evidence for the presence of a gravitational wave signal. Finally, we have placed upper limits on the signal strain amplitude lower than the spin-down limit for 5 of the 11 targets over the bands searched; in the case of J1813-1749 the spin-down limit has been beaten for the first time. For an additional 3 targets, the median upper limit across the search bands is below the spin-down limit. This is the most sensitive narrow-band search for continuous gravitational waves carried out so far

A mixed methods inquiry into the validity of data

This is an Open Access article distributed under the terms of the Creative Commons Attribution Licens

π Earth: A 3.14 day Earth-sized Planet from K2's Kitchen Served Warm by the SPECULOOS Team

We report on the discovery of a transiting Earth-sized (0.95 R_⊕) planet around an M3.5 dwarf star at 57 pc, EPIC 249631677. The planet has a period of ~3.14 days, i.e., ~π, with an installation of 7.45 S_⊕. The detection was made using publicly available data from K2's Campaign 15. We observed three additional transits with SPECULOOS Southern and Northern Observatories, and a stellar spectrum from Keck/HIRES, which allowed us to validate the planetary nature of the signal. The confirmed planet is well suited for comparative terrestrial exoplanetology. While exoplanets transiting ultracool dwarfs present the best opportunity for atmospheric studies of terrestrial exoplanets with the James Webb Space Telescope, those orbiting mid-M dwarfs within 100 pc such as EPIC 249631677b will become increasingly accessible with the next generation of observatories

A large sub-Neptune transiting the thick-disk M4 V TOI-2406

We thank the anonymous referee for their corrections and help in improving the paper. We warmly thank the entire technical staff of the Observatorio Astronomico Nacional at San Pedro Martir in Mexico for their unfailing support to SAINT-EX operations, namely: E. Cadena, T. Calvario, E. Colorado, B. Garcia, G. Guisa, A. Franco, L. Figueroa, B. Hernandez, J. Herrera, E. Lopez, E. Lugo, B. Martinez, J. M. Nunez, J. L. Ochoa, M. Pereyra, F. Quiroz, T. Verdugo, I. Zavala. B.V.R. thanks the Heising-Simons Foundation for support. Y.G.M.C acknowledges support from UNAM-PAPIIT IG-101321. B.-O. D. acknowledges support from the Swiss National Science Foundation (PP00P2-163967 and PP00P2-190080). R.B. acknowledges the support from the Swiss National Science Foundation under grant P2BEP2_195285. M.N.G. acknowledges support from MIT's Kavli Institute as a Juan Carlos Torres Fellow. A.H.M.J.T acknowledges funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreement nffi 803193/BEBOP), from the MERAC foundation, and from the Science and Technology Facilities Council (STFC; grant nffi ST/S00193X/1). T.D. acknowledges support from MIT's Kavli Institute as a Kavli postdoctoral fellow Part of this work received support from the National Centre for Competence in Research PlanetS, supported by the Swiss National Science Foundation (SNSF). The research leading to these results has received funding from the ARC grant for Concerted Research Actions, financed by the Wallonia-Brussels Federation. TRAPPIST is funded by the Belgian Fund for Scientific Research (Fond National de la Recherche Scientifique, FNRS) under the grant FRFC 2.5.594.09.F, with the participation of the Swiss National Science Fundation (SNF). M.G. and E.J. are F.R.S.-FNRS Senior Research Associate. This publication benefits from the support of the French Community of Belgium in the context of the FRIA Doctoral Grant awarded to MT. We acknowledge the use of public TESS data from pipelines at the TESS Science Office and at the TESS Science Processing Operations Center. We acknowledge the use of public TESS Alert data from pipelines at the TESS Science Office and at the TESS Science Processing Operations Center. Resources supporting this work were provided by the NASA High-End Computing (HEC) Program through the NASA Advanced Supercomputing (NAS) Division at Ames Research Center for the production of the SPOC data products. Funding for the TESS mission is provided by NASA's Science Mission Directorate. This research has made use of the Exoplanet Follow-up Observation Program website, which is operated by the California Institute of Technology, under contract with the National Aeronautics and Space Administration under the Exoplanet Exploration Program. This paper includes data collected by the TESS mission that are publicly available from the Mikulski Archive for Space Telescopes (MAST). We thank the TESS GI program G03274 PI, Ryan Cloutier, for proposing the target of this work for 2-min-cadence observations in Sector 30. This work is based upon observations carried out at the Observatorio Astronomico Nacional on the Sierra de San Pedro Martir (OAN-SPM), Baja California, Mexico. This work makes use of observations from the LCOGT network. Part of the LCOGT telescope time was granted by NOIRLab through the Mid-Scale Innovations Program (MSIP). MSIP is funded by NSF. This work includes data collected at the Vatican Advanced Technology Telescope (VATT) on Mt. Graham. This paper includes data taken on the EDEN telescope network. We acknowledge support from the Earths in Other Solar Systems Project (EOS) and Alien Earths (grant numbers NNX15AD94G and 80NSSC21K0593), sponsored by NASA. Some of the observations in the paper made use of the High-Resolution Imaging instrument Zorro (Gemini program GS-2020B-LP-105). Zorro was funded by the NASA Exoplanet Exploration Program and built at the NASA Ames Research Center by Steve B. Howell, Nic Scott, Elliott P. Horch, and Emmett Quigley. Zorro was mounted on the Gemini South telescope of the international Gemini Observatory, a program of NSF's OIR Lab, which is managed by the Association of Universities for Research in Astronomy (AURA) under a cooperative agreement with the National Science Foundation. on behalf of the Gemini partnership: the National Science Foundation (United States), National Research Council (Canada), Agencia Nacional de Investigacion y Desarrollo (Chile), Ministerio de Ciencia, Tecnologia e Innovacion (Argentina), Ministerio da Ciencia, Tecnologia, Inovacoes e Comunicacoes (Brazil), and Korea Astronomy and Space Science Institute (Republic of Korea). This research has made use of the NASA Exoplanet Archive, which is operated by the California Institute of Technology, under contract with the National Aeronautics and Space Administration under the Exoplanet Exploration Program. This work made use of the following Python packages: astropy (Astropy Collaboration 2013, 2018), lightkurve (Lightkurve Collaboration 2018), matplotlib (Hunter 2007), pandas (Wes McKinney 2010), seaborn (Waskom & The Seaborn Development team 2021), scipy (Virtanen et al. 2020) and numpy (Harris et al. 2020).Context. Large sub-Neptunes are uncommon around the coolest stars in the Galaxy and are rarer still around those that are metal-poor. However, owing to the large planet-to-star radius ratio, these planets are highly suitable for atmospheric study via transmission spectroscopy in the infrared, such as with JWST. Aims. Here we report the discovery and validation of a sub-Neptune orbiting the thick-disk, mid-M dwarf star TOI-2406. The star's low metallicity and the relatively large size and short period of the planet make TOI-2406 b an unusual outcome of planet formation, and its characterisation provides an important observational constraint for formation models. Methods. We first infer properties of the host star by analysing the star's near-infrared spectrum, spectral energy distribution, and Gaia parallax. We use multi-band photometry to confirm that the transit event is on-target and achromatic, and we statistically validate the TESS signal as a transiting exoplanet. We then determine physical properties of the planet through global transit modelling of the TESS and ground-based time-series data. Results. We determine the host to be a metal-poor M4 V star, located at a distance of 56 pc, with properties T-eff = 3100 +/- 75 K, M-* = 0.162 +/- 0.008M(circle dot), R-* = 0.202 +/- 0.011R(circle dot), and [Fe/H] = -0.38 +/- 0.07, and a member of the thick disk. The planet is a relatively large sub-Neptune for the M-dwarf planet population, with R-p = 2.94 +/- 0.17R(circle plus) and P= 3.077 d, producing transits of 2% depth. We note the orbit has a non-zero eccentricity to 3 sigma, prompting questions about the dynamical history of the system. Conclusions. This system is an interesting outcome of planet formation and presents a benchmark for large-planet formation around metal-poor, low-mass stars. The system warrants further study, in particular radial velocity follow-up to determine the planet mass and constrain possible bound companions. Furthermore, TOI-2406 b is a good target for future atmospheric study through transmission spectroscopy. Although the planet's mass remains to be constrained, we estimate the S/N using amass-radius relationship, ranking the system fifth in the population of large sub-Neptunes, with TOI-2406 b having a much lower equilibrium temperature than other spectroscopically accessible members of this population.Heising-Simons FoundationPrograma de Apoyo a Proyectos de Investigacion e Innovacion Tecnologica (PAPIIT)Universidad Nacional Autonoma de Mexico IG-101321Swiss National Science Foundation (SNSF)European Commission PP00P2-163967 PP00P2-190080 P2BEP2_195285MIT's Kavli Institute as a Juan Carlos Torres FellowEuropean Research Council (ERC) nffi 803193/BEBOPMERAC foundationUK Research & Innovation (UKRI)Science & Technology Facilities Council (STFC)Science and Technology Development Fund (STDF) nffi ST/S00193X/1MIT's Kavli Institute as a Kavli postdoctoral fellowSwiss National Science Foundation (SNSF)Australian Research CouncilFonds de la Recherche Scientifique - FNRS FRFC 2.5.594.09.FSwiss National Science Foundation (SNSF)French Community of Belgium in the context of the FRIA Doctoral GrantNASA High-End Computing (HEC) Program through the NASA Advanced Supercomputing (NAS) Division at Ames Research CenterNASA's Science Mission DirectorateNational Aeronautics and Space Administration under the Exoplanet Exploration ProgramTESS GI program G03274National Science Foundation (NSF)Earths in Other Solar Systems Project (EOS)Alien Earths - NASA NNX15AD94G 80NSSC21K0593High-Resolution Imaging instrument Zorro (Gemini program) GS-2020B-LP-105NASA Exoplanet Exploration ProgramNational Aeronautics & Space Administration (NASA)National Science Foundation (NSF