ABSTRACT
We report on precise Doppler measurements of L231-32 (TOI-270), a nearby M dwarf (d = 22 pc, M⋆ = 0.39 M⊙, R⋆ = 0.38 R⊙), which hosts three transiting planets that were recently discovered ...using data from the Transiting Exoplanet Survey Satellite (TESS). The three planets are 1.2, 2.4, and 2.1 times the size of Earth and have orbital periods of 3.4, 5.7, and 11.4 d. We obtained 29 high-resolution optical spectra with the newly commissioned Echelle Spectrograph for Rocky Exoplanet and Stable Spectroscopic Observations (ESPRESSO) and 58 spectra using the High Accuracy Radial velocity Planet Searcher (HARPS). From these observations, we find the masses of the planets to be 1.58 ± 0.26, 6.15 ± 0.37, and 4.78 ± 0.43 M⊕, respectively. The combination of radius and mass measurements suggests that the innermost planet has a rocky composition similar to that of Earth, while the outer two planets have lower densities. Thus, the inner planet and the outer planets are on opposite sides of the ‘radius valley’ – a region in the radius-period diagram with relatively few members – which has been interpreted as a consequence of atmospheric photoevaporation. We place these findings into the context of other small close-in planets orbiting M dwarf stars, and use support vector machines to determine the location and slope of the M dwarf (Teff < 4000 K) radius valley as a function of orbital period. We compare the location of the M dwarf radius valley to the radius valley observed for FGK stars, and find that its location is a good match to photoevaporation and core-powered mass-loss models. Finally, we show that planets below the M dwarf radius valley have compositions consistent with stripped rocky cores, whereas most planets above have a lower density consistent with the presence of a H-He atmosphere.
DFT and periodic-DFT (PAW-PBE method, code VASP) calculations have been performed to study the structural and vibrational characteristics of cis-diamminedichloroplatinum(II) (cisplatin) at molecular ...and outside molecular level. To estimate the effect of the intermolecular interactions in crystal on the structural and vibrational properties of cisplatin, three theoretical models are considered in the present study: monomer (isolated molecule), hydrogen bonded dimer and periodic solid state structures. The work focused on the role of the theoretical models for correct modeling and prediction of geometrical and vibrational parameters of cisplatin. It has been found that the elaborate three-dimensional intermolecular hydrogen bonding network in the crystalline cisplatin significantly influences the structural and vibrational pattern of cisplatin and therefore the isolated cisplatin molecule is not the correct computational model regardless of the theoretical level used. To account for the whole intermolecular hydrogen bonding network in direction of both a and c axis and for more reliable calculations of structural and vibrational parameters periodic DFT calculations were carried out in the full crystalline periodic environment with the known lattice parameters for each cisplatin polymorph phase. The model calculations performed both at molecular level and for the periodic structures of alpha and beta cisplatin polymorph forms revealed the decisive role of the extended theoretical model for reliable prediction of the structural and vibrational characteristics of cisplatin. The powder diffraction pattern and the calculated IR and Raman spectra predicted beta polymorph form of our cisplatin sample freshly synthesized for the purposes of the present study using the Dhara's method. The various rotamers realized in the polymorph forms of cisplatin were explained by the low population of the large number of rotamers in solution as well as with the high rotamer interconversion rate due to the low energy barrier.
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•Monomer, HB-dimer, α- and β-crystalline cisplatin models are calculated at DFT level.•Cisplatin monomer is not the correct model for theoretical predictions.•XRD measurements predicted beta polymorph form of our cisplatin sample.•Periodic-DFT correctly predicted structure and vibrational spectra of β-cisplatin.
The present paper summarizes theoretical and spectroscopic investigations on a series of active coumarins and their lanthanide and transition metal complexes with application in medicine and ...pharmacy. Molecular modeling as well as IR, Raman, NMR and electronic spectral simulations at different levels of theory were performed to obtain important molecular descriptors: total energy, formation energy, binding energy, stability, conformations, structural parameters, electron density distribution, molecular electrostatic potential, Fukui functions, atomic charges, and reactive indexes. The computations are performed both in gas phase and in solution with consideration of the solvent effect on the molecular structural and energetic parameters. The investigations have shown that the advanced computational methods are reliable for prediction of the metal–coumarin binding mode, electron density distribution, thermodynamic properties as well as the strength and nature of the metal–coumarin interaction (not experimentally accessible) and correctly interpret the experimental spectroscopic data. Known results from biological tests for cytotoxic, antimicrobial, anti-fungal, spasmolytic and anti-HIV activities on the studied metal complexes are reported and discussed.
Molecular modeling at DFT and ab initio levels has been performed to study the coordination properties of a series of coumarins to lanthanide- and transition metal ions. Global and local molecular descriptors such as structural parameters, energetics, stability, molecular electrostatic potential and electron density distribution have been derived and discussed. Display omitted
•Quantum chemical descriptors of bioactive metal complexes of coumarins•Binding modes of coumarins to lanthanide and transition metal ions are predicted.•Geometry, stability, energetics, solvent effect, hydrogen bonds, ligand reactivity•Theoretical and experimental IR, UV–vis, and NMR spectroscopic studies•Nature and strength of metal–coumarin interactions estimated by EPA, CDA and NPA
ABSTRACT
We report the discovery of a planetary system orbiting TOI-763(aka CD-39 7945), a V = 10.2, high proper motion G-type dwarf star that was photometrically monitored by the TESS space mission ...in Sector 10. We obtain and model the stellar spectrum and find an object slightly smaller than the Sun, and somewhat older, but with a similar metallicity. Two planet candidates were found in the light curve to be transiting the star. Combining TESS transit photometry with HARPS high-precision radial velocity (RV) follow-up measurements confirm the planetary nature of these transit signals. We determine masses, radii, and bulk densities of these two planets. A third planet candidate was discovered serendipitously in the RV data. The inner transiting planet, TOI-763 b, has an orbital period of Pb = 5.6 d, a mass of Mb = 9.8 ± 0.8 M⊕, and a radius of Rb = 2.37 ± 0.10 R⊕. The second transiting planet, TOI-763 c, has an orbital period of Pc = 12.3 d, a mass of Mc = 9.3 ± 1.0 M⊕, and a radius of Rc = 2.87 ± 0.11 R⊕. We find the outermost planet candidate to orbit the star with a period of ∼48 d. If confirmed as a planet, it would have a minimum mass of Md = 9.5 ± 1.6 M⊕. We investigated the TESS light curve in order to search for a mono transit by planet d without success. We discuss the importance and implications of this planetary system in terms of the geometrical arrangements of planets orbiting G-type stars.
ABSTRACT
We present the discovery and characterization of two transiting planets observed by TESS in the light curves of the young and bright (V = 9.67) star HD73583 (TOI-560). We perform an ...intensive spectroscopic and photometric space- and ground-based follow-up in order to confirm and characterize the system. We found that HD73583 is a young (∼500 Myr) active star with a rotational period of 12.08 ± 0.11 d, and a mass and radius of 0.73 ± 0.02 M⊙ and 0.65 ± 0.02 R⊙, respectively. HD 73583 b (Pb = $6.3980420 _{ - 0.0000062 } ^ { + 0.0000067 }$ d) has a mass and radius of $10.2 _{ - 3.1 } ^ { + 3.4 }$ M⊕ and 2.79 ± 0.10 R⊕, respectively, which gives a density of $2.58 _{ - 0.81 } ^ { + 0.95 }$ ${\rm g\, cm^{-3}}$. HD 73583 c (Pc = $18.87974 _{ - 0.00074 } ^ { + 0.00086 }$ d) has a mass and radius of $9.7 _{ - 1.7 } ^ { + 1.8 }$ M⊕ and $2.39 _{ - 0.09 } ^ { + 0.10 }$ R⊕, respectively, which translates to a density of $3.88 _{ - 0.80 } ^ { + 0.91 }$ ${\rm g\, cm^{-3}}$. Both planets are consistent with worlds made of a solid core surrounded by a volatile envelope. Because of their youth and host star brightness, they both are excellent candidates to perform transmission spectroscopy studies. We expect ongoing atmospheric mass-loss for both planets caused by stellar irradiation. We estimate that the detection of evaporating signatures on H and He would be challenging, but doable with present and future instruments.
We present an algorithm for the approximation of bivariate functions by “low-rank splines”, that is, sums of outer products of univariate splines. Our approach is motivated by the Adaptive Cross ...Approximation (ACA) algorithm for low-rank matrix approximation as well as the use of low-rank function approximation in the recent extension of the chebfun package to two dimensions. The resulting approximants lie in tensor product spline spaces, but typically require the storage of far fewer coefficients than tensor product interpolants. We analyze the complexity and show that our proposed algorithm can be efficiently implemented in terms of the cross approximation algorithm for matrices using either full or row pivoting.
We present several numerical examples which show that the performance of the algorithm is reasonably close to the best low-rank approximation using truncated singular value decomposition and leads to dramatic savings compared to full tensor product spline interpolation.
The presented algorithm has interesting applications in isogeometric analysis as a data compression scheme, as an efficient representation format for geometries, and in view of possible solution methods which operate on tensor approximations.
ABSTRACT
We report new photometric and spectroscopic observations of the K2-99 planetary system. Asteroseismic analysis of the short-cadence light curve from K2’s Campaign 17 allows us to refine the ...stellar properties. We find K2-99 to be significantly smaller than previously thought, with R⋆ = 2.55 ± 0.02 R⊙. The new light curve also contains four transits of K2-99 b, which we use to improve our knowledge of the planetary properties. We find the planet to be a non-inflated warm Jupiter, with Rb = 1.06 ± 0.01 $\mathrm{R_{\rm Jup}}$. 60 new radial velocity measurements from HARPS, HARPS-N, and HIRES enable the determination of the orbital parameters of K2-99 c, which were previously poorly constrained. We find that this outer planet has a minimum mass Mcsin ic = 8.4 ± 0.2 $\mathrm{M_{\rm Jup}}$, and an eccentric orbit (ec = 0.210 ± 0.009) with a period of 522.2 ± 1.4 d. Upcoming TESS observations in 2022 have a good chance of detecting the transit of this planet, if the mutual inclination between the two planetary orbits is small.
We study the problem of best approximation, in the elementwise maximum norm, of a given matrix by another matrix of lower rank. We generalize a recent result by Pinkus that describes the best ...approximation error in a class of low-rank approximation problems and give an elementary proof for it. Based on this result, we describe the best approximation error and the error matrix in the case of approximation by a matrix of rank one less than the original one. For the case of approximation by matrices with arbitrary rank, we give lower and upper bounds for the best approximation error in terms of certain submatrices of maximal volume. We illustrate our results using 2×2 matrices as examples, for which we also give a simple closed form of the best approximation error.
We study interpolation of harmonic functions in the unit disk with a finite number of values of the Radon projection along prescribed chords as the input data. We seek the interpolant in the space of ...harmonic polynomials in such a way that it matches the given projection values exactly. In this setting, we investigate schemes where all chords are divided into two sets of parallel chords. We give necessary and sufficient conditions for a scheme of this type to result in a uniquely solvable interpolation problem. As a second new result, we generalize the previously known error estimates for schemes with equispaced chord angles, both to allow for a larger class of chord choices and to obtain new error estimates in fractional Sobolev norms.
The Transiting Exoplanet Survey Satellite, TESS, is currently carrying out an all-sky search for small planets transiting bright stars. In the first year of the TESS survey, a steady progress was ...made in achieving the mission’s primary science goal of establishing bulk densities for 50 planets smaller than Neptune. During that year, the TESS’s observations were focused on the southern ecliptic hemisphere, resulting in the discovery of three mini-Neptunes orbiting the star TOI-125, a V = 11.0 K0 dwarf. We present intensive HARPS radial velocity observations, yielding precise mass measurements for TOI-125b, TOI-125c, and TOI-125d. TOI-125b has an orbital period of 4.65 d, a radius of 2.726 ± 0.075 R(E), a mass of 9.50 ± 0.88 M(E), and is near the 2:1 mean motion resonance with TOI-125c at 9.15 d. TOI-125c has a similar radius of 2.759 ± 0.10 R(E) and a mass of 6.63 ± 0.99 M(E), being the puffiest of the three planets. TOI-125d has an orbital period of 19.98 d and a radius of 2.93 ± 0.17 R(E) and mass 13.6 ± 1.2 M(E). For TOI-125b and d, we find unusual high eccentricities of 0.19 ± 0.04 and 0.17(sup +0.08, sub −0.06), respectively. Our analysis also provides upper mass limits for the two low-SNR planet candidates in the system; for TOI-125.04 (R(P) = 1.36 R(E), P = 0.53 d), we find a 2σ upper mass limit of 1.6 M(E), whereas TOI-125.05 (R(P) = 4.2(sup +2.4, sub −1.4 R(E), P = 13.28 d) is unlikely a viable planet candidate with an upper mass limit of 2.7 M(E). We discuss the internal structure of the three confirmed planets, as well as dynamical stability and system architecture for this intriguing exoplanet system.
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