dataesr/scientific-paragraphs-categorization huggingface dataset:
Statistical Analysis In a first step, single-site analyses were conducted for each environment (location × year). In each environment, adjusted means and heritabilities were computed using a mixed model, as implemented in the R package statgenSTA  [52]. Genotypes were treated as fixed for the calculation of the best linear unbiased estimator (BLUEs), and as random for the estimation of heritabilities. The model fitted to experimental field data was Y ijk = µ + G i + r j + b jk + ε where Y ijk is the observed value for a given trait, µ is the mean of the population, G i is either the fixed genotype effect or the random genotype effect with G i ∼ N(0, σ 2 g ), r j is the fixed replication effect, b jk is the random block within replication effect, and ε is the residual error. Estimates of broad-sense heritability (h 2 ) were calculated for each environment as h 2 = σ 2 G σ 2 G + σ 2 E nrep where σ 2 G is the genotypic variance, σ 2 E the residual variance, and nrep the number of replications.
When the analysis revealed a significant genotype effect, a DUNNETT's multiple comparison test at 5% threshold was performed in order to compare each genotype to Fleur11, using the R package multcomp  [53]. For each CSSL that showed a significant difference with Fleur11, a relative difference (RD) was computed as RD CSSL = BLUE CSSL -BLUE Fleur11 BLUE Fleur11 × 100 In a second step, multi-environment trial (MET) analyses were conducted using the BLUE values and standard errors of each environment obtained from the first step. An additive main effects and multiplicative interaction (AMMI) model was first fitted to the pod Yield trait, with the objective of clustering the six environments into mega-environments, based on the winning genotype approach. A genotype main effects and genotype × environment interaction effects (GGE) model  [54]  was fitted to each trait, using the mega-environment previously identified as an environmental factor.
The calibration, the imaging, and the analysis were done using version 5. 1. 2. of the Common Astronomical Software Applications  (CASA, McMullin et al. 2007). To improve the signal-to-noise ratio (S/N) of our images, we performed a phase self-calibration on each of the five calibrated datasets. The images were improved iteratively through four rounds of phase-only self-calibration using the Stokes I image as a model. The final imaging was performed with the tclean task from CASA using a Hogbom deconvolver and a Briggs weighting scheme with a robust parameter of 0. 5. The Stokes U and Q maps were imaged individually for each of the five fields with the tclean task using the same parameters as above. After the cleaning, a primary beam correction was applied to each map. Table  1  shows the coordinates for each pointing and the root mean square (rms) noise level for each Stokes parameter.
Acknowledgements. We thank the anonymous referee for her/his helpful comments that helped us clarify the article. FKL thanks  Maud Galametz  and  Sylvie Cabrit  for fruitful discussions about the collapse of cores and the propagation of outflows, respectively. FKL acknowledges the support of the  Fondecyt program  N o 3170360. FM acknowledges the support of the  Joint ALMA Observatory Visitor Program. C. L. H. H. acknowledges the support of both the  NAOJ  Fellowship as well as  JSPS KAKENHI  grants  18K13586  and  20K14527. This paper makes use of the following ALMA data: ADS/JAO. ALMA# 2015. 1. 01020. S. ALMA is a partnership of  ESO  (representing its member states),  NSF (USA)  and  NINS (Japan) , together with  NRC (Canada) ,  MOST  and  ASIAA (Taiwan) , and  KASI (Republic of Korea) , in cooperation with the  Republic of Chile.
The Joint ALMA Observatory is operated by  ESO ,  AUI/NRAO  and  NAOJ. This work was supported by the  Programme National de Physique Stellaire and Physique et Chimie du Milieu Interstellaire (PNPS and PCMI) of CNRS/INSU  (with  INC/INP/IN2P3 ) co-funded by  CEA  and  CNES. GG and LB acknowledge support from  CONICYT  project  AFB 170002.
For the calculations, a plate thickness t m = 100 µm with a radius R = 4 mm are fixed to obtain a high plate resonance frequency and to meet with the integration constraints of the diaphragm inside the photoacoustic cell. Then we chose a cantilever width w 1 = 1 mm and the hinge parameters w 2 = 100 µm and l 2 = 300 µm. This set of parameters allows to obtain a flexible hinge and gives a large flexibility for the choice of l 1 while remaining feasible by the diaphragm fabrication process. The material parameters are E m = 185 GPa and ρ m = 7850 kg/m 3. Figure  4  compares the reduced frequency for the case of the normal clamped-free (CF) cantilever (blue curve) and the hinged CF cantilever (red curve). The hinged cantilever resonance frequency calculated with the Rayleigh's quotient method is very close to the finite element method (FEM) results (yellow curve) performed with a commercial software (COMSOL Multiphysics, COMSOL AB, Sweden).
Computational background Before starting this study we had to decide which computational protocol to employ. To facilitate this choice we first had to determine the number of isomers to consider for the C 2 H 3 NO panel. To this end we used, in addition to chemical intuition, the Scifinder database, which lists 21 isomers and a software (named Isomers) recently developed by H. Chevreau at Sorbonne Université  (Fourré et al. 2016). The list of isomers was a-priori limited to those ∼6 eV above the most stable compound and bicyclic compounds were not considered on the basis that such compounds with high energy have never been detected in the ISM. From the results of the isomers count, comprising 40 isomers (not counting conformers), it then made sense to use methods capable of providing a reasonable balance between the quality of the electronic treatments and the required computing time.
Acknowledgements The authors thank the  Laboratoire de Chimie Minerale et Analytique, Departement de Chimie, Facultedes Sciences et Techniques, UniversiteCheikh Anta Diop de Dakar, Senegal , the  Laboratoire de Chimie et de Physique des Materiaux (LCPM) de l'UniversiteAssane Seck de Ziguinchor (UASZ) , Senegal and the  Service Commun d'Analyse par Diffraction des Rayons X, Universitede Bretagne Occidentale, France  for financial support.
c) SEM image acquisition and data analysis with statistical tools SEM images have been performed with a Zeiss ULTRA-Plus equipped of a Field Emission Gun (FEG) microscope and in-Lens SE detector. The provider claims that the resolution of this microscope is roughly 1. 7 nm at 1kV and 1. 0 nm at 15 kV (for a working distance, WD, close to 2 mm). All images have been carried out through secondary electrons collected by InLens detector. From images, the particle areaequivalent diameter, Darea-eq. , is determined and this measurand is defined as the diameter of a sphere that would have a projected surface similar to the projected image of particles to be measured. Image analysis processing has been performed with a specific semi-automatic routine Software  [39][14]. This program enables the user to measure and count the constituent particles through control interface.
The samples were measured in a flow-through Kapton capillary (1 mm, GoodFellow GmbH, Bad Nauheim, Germany) in a Linkam stage (Linkam Scientific, Tadworth, UK). WAXS experiments were performed at the ID02 beamline at the ESRF synchrotron in Grenoble, France  [45]. The data were recorded with a CCD Rayonix LX-170HS detector at a sample-to-detector distance of 0. 12 m and a wavelength of 1 Å. Recording time was 25 × 1 s (for DMPC SUVs 10 × 1 s) and the reduced curves were averaged. Initial data treatment was done using the beamlines data reduction program package  [46]. The sample scattering was normalized with respect to incident intensity, sample thickness, acquisition time, transmission and background and was brought to absolute scale using water. Moreover, a constant background was subtracted for better visualization of the data.
In each generation there were 60 structures, and calculations were run for 60 generations. All produced structures were carefully relaxed and their enthalpies were computed using the Vienna ab initio Simulation Package (VASP)  [17]  within the generalized gradient approximation (GGA) of Perdew-Burke-Ernzerhof (PBE)  [18]. Total energy was calculated within the framework of projector augmented wave (PAW) method  [19]. We used plane wave energy cutoff of 550 eV and Gamma-centered K-point mesh with the resolution of 2π•0. 06Å -  for final structural relaxations in USPEX. For mechanical and electronic property calculations, we improved the K-point mesh to the resolution of 2π•0. 04Å -. We found that at 20 GPa the following boron sulfides and selenides are thermodynamically stable (see thermodynamic convex hulls in Fig.
1  The Raman spectra of both boron-rich chalcogenides were computed using VASP code with the fully relaxed structure. Firstly, we performed phonon calculation to determine phonon frequencies and normal modes at the -point based on density functional perturbation theory (DFPT) as implemented in the PHONOPY code. Further DFPT method was used to compute out macroscopic dielectric tensor. And lastly, Raman intensity for each normal mode was obtained by calculating the derivative of the calculated macroscopic dielectric tensor (or polarizability) with respect to the corresponding normal mode coordinate. At the same time, structural and phonon properties of both boron-rich chalcogenides were also studied using linear combination of atomic orbital (LCAO) calculations based on the hybrid exchange-correlation density functional (DFT)/Hartree-Fock (HF) scheme, which is implemented in CRYSTAL17 code  [20].
The full structure optimization procedure according to the energy minima criterion was performed for both boron-rich chalcogenides (Table  I  and Table  S1 ). The bulk moduli of both compounds were estimated using routine implemented in CRYSTAL17 code  [25]. The unit cell volumes were varied from 95% to 105% of the volume (V 0 ) corresponding to the energy minimum (E 0 ). The structure optimization was performed at each volume value. The obtained E(V) dependences were fitted to the Birch-Murnaghan equation of state. The phonon frequencies for both compounds were calculated using the direct (frozen-phonon) method implemented in CRYSTAL17 code  [26] ,  [27]  (Table  S2 ). Calculation of Raman intensities was performed by using a coupled-perturbed Hartree-Fock/Kohn-Sham approach  [27] ,  [28].
Raman spectra were constructed by using the transverse optical (TO) modes and by adopting a pseudo-Voigt functional form  [26]  with a full width half maximum parameter set to 1. The choice of the broadening was determined according to the criteria to keep maximal possible small intensity bands in theoretical spectrum, which are smeared out while applying higher broadening parameters. A visualization of the calculated phonon modes was performed using MOLDRAW software  [29].
Thanks to MOLDRAW software  [29]  visualizing the calculated phonon modes, each experimentally observed Raman band or bands group can be confidently associated with the corresponding atomic movements in o-B 6 S and o-B 6 Se unit cells. Taking into account that normal modes of boron-rich chalcogenides with such complicated structure may incorporate various simultaneous atomic movements, we distinguished the most distinct ones only for the convenience of the further modes description. As one can see in Fig. 4 , the Raman bands of both spectra were divided onto four groups (G1 -G4). The "G1" contains the low frequency modes (280-400 cm -1 for o-B 6 S and 150-280 cm -1 for o-B 6 Se) referred to the symmetric and asymmetric oscillations (e. g. rocking, twisting, wagging) of S/Se atoms and the corresponding B 12 -icosahedral units distortions.
Acknowledgements The authors thank  T. Chauveau  ( LSPM ) for help with Rietveld analysis, and  Drs. Y. Tange  (SPring-8) and  N. Guignot  ( SOLEIL ) for assistance in synchrotron experiments that were carried out during beamtimes allocated to proposals 2017A1047 & 2018A1121 at SPring-8 and proposal 20170092 at SOLEIL. Ab initio calculations have been performed using Rurik and Arkuda supercomputers. This work was financially supported by the  European Union 's  Horizon 2020 Research and Innovation Programme  under  Flintstone2020  project (grant agreement No. 689279 ). Z. W. thanks the  National Science Foundation of China  (grant No. 11604159 ). A. R. O. thanks the  Russian Science Foundation  (grant  16-13-10459 ).
ACKNOWLEDGMENTS We have reviewed several results that were obtained within fruitful collaborations with many colleagues, especially -Torsten Stühn ,  Paulo Netz ,  Tiago Oliveira ,  Manfred Wagner ,  Mark Watson ,  Marc Schmutz ,  Svenja Morsbach ,  Takahiro Ohkuma ,  Chathuranga De Silva ,  Porakrit Leophairatana ,  Jeffrey Koberstein ,  Sebastian Backes ,  Regine von Klitzing ,  David Ng ,  Tanja Weil ,  Daniel Bruns  and  Jörg Rottler -which we take this opportunity to gratefully acknowledge. Furthermore, this work has greatly benefited from stimulating discussions with  Burkhard Dünweg ,  Martin Müser ,  Kostas Ch. Daoulas ,  Robinson Cortes-Huerto ,  Christine Rosenauer , and  Robert Graf. K. K. acknowledges the support by the  European Research Council  under the European Union's  Seventh Framework Programme  ( FP7/2007-2013)/ERC Grant  Agreement No.
Acknowledgments This study was supported with the funds of the  Polish National Science Centre , project No. 2011/03/B/ST4/02763 , the  French-Polish   PICS  project (2014e2016) and the  RTRA Triangle de la Physique  ( 2013-0436T REACMAQ ). U. Szczepaniak  is a beneficiary of the  French Government scholarship Bourse Eiffel  managed by  Campus France. The authors thank  Dr. Marcin Gronowski  for helpful discussions.
The nanostructures of the materials were characterized by transmission electron microscopy (TEM) using a microscope (Philips CM20, Philips Co. Ltd. , Amsterdam, Holland) operating at 200 kV. Powder samples were dispersed in ethanol and deposited on a holey carbon film supported by a copper grid. Powder X-ray diffractograms were recorded in a Bruker diffractometer (D8 Advance, Manning Park, Billerica, MA, USA) operating at 30 kV and 40 mA and using CuKα (0. 15406 nm) radiation. Data were collected between 5 • and 90 • with a 0. 08 • step size. Fourier-transform infrared (FTIR) spectroscopy studies were carried out with a Bruker Vertex 80 v (Billerica, MA, USA) using materials dispersed in and pressed with dry KBr, keeping a 1:100 ratio (w/w). Transmission spectra were carried out between 4000-350 cm -1 (64 scans collected, resolution 4 cm -1 ).
Raman spectra (Renishaw InVia Qontor, Renishaw SAS, Marne la Vallée, France) were recorded in ambient conditions in a spectrometer equipped with 514. 5 nm laser. The spectra were collected under a Leica DM2500 optical microscope with a ×50 long working distance objective (ca. 10 mm). The scattered Raman light was dispersed by a holographic grating of 600 grooves/mm, in order to acquire the whole range of interest for carbons (500-5000 cm -1 ). Each spectrum was recorded with an integration time of 5 s; data presented represent the averages of three measurements. Raman imaging was performed using the fast Streamline mode of the spectrometer setup. A zone of ca. 180 × 115 µm 2 on the samples was scanned with a step of 1. 3 µm in two dimensions (accounting for the spatial resolution), resulting in 12,000 acquired spectra recorded over 19.
5 h of experimentation. The LiveTrack TM mode was used, allowing us to maintain the focus automatically during the measurements whatever the surface state, which becomes essential when recording powders. Wire TM software (v4, Renishaw SAS, Marne la Vallée, France) was used to remove cosmic rays, and to perform the spectral curve fitting (line positions are obtained by a classical Gaussian/Lorentzian fitting process). The electrical conductivity of the samples was measured using a four-point probe method following the general principles of ASTM standard methods D4496-87  [23]. Briefly, pellets of the samples (ca. 90 wt. % of carbon powders, 10 wt. % polyvinylidene fluoride binder) were prepared by compaction of the powders under 5 tons pressure. The diameter of each pellet was ca. 10 mm and their thicknesses varied between 0.
Fitting the model parameters to the experimental data was performed iteratively using the slow-motion Fortran program interfaced to the Minuit program package  [18]. The fitting strategy for the glycerol-containing solution involved least-squares optimization of five inner-sphere parameters ðr IS ; s R ; s v ; D S ; D T Þ for given pairs ðd; D tr Þ. The minimum in the seven-parameter space was localized comparing the sum of square deviations for different ðd; D tr Þ pairs. For the solution in pure water, we assumed that the static ZFS vanished, in analogy with I. The outer-sphere calculations are computationally demanding and we have developed a version of the program running on 32 cores of a parallel computer. Computations have been carried out on a local computational cluster, consisting of 4 Dell PowerEdge 815 nodes.
Acknowledgements This work was supported by the  Swedish Research Council (VR). The quantum chemical computations were performed on resources provided by the  Swedish National Infrastructure for Computing (SNIC)  at the  Swedish National Supercomputer Center (NSC) , the  High Performance Computer Center North  ( HPC2N ), and  Chalmers Centre for Computational Science and Engineering  ( C3SE ). The work done at the  University of Warmia and Mazury in Olsztyn  was financed by  National Science Centre, Poland , grant number:  UMO-2018/31/B/ST5/03605. A. V. Egorov acknowledges  St. Petersburg State University  for a research grant  11. 42. 686. 2017. COST Action   CA15209  ( European Network on NMR Relaxometry ) is acknowledged. We acknowledge the support of the  LNCMI-CNRS , member of the  European Magnetic Field Laboratory (EMFL).
In order to understand fission gas behaviour, in-pile as well as out-of-pile measurements are carried out in the nuclear fuel. It is, however, difficult to carry out measurements in a fuel under irradiation (in-pile) due to uncontrollable environment variables. Post-irradiation annealing (out-of-pile) tests are carried out to obtain data on FGR under controlled and monitored environment. One of the interesting issues during post-irradiation annealing tests has been the transport of intra-granular gas to the grain surface, as it is found to be significant while effective diffusion theory  [1]  would predict no intra-granular gas release at all. Indeed, the effective diffusion coefficient is equal to D ef f = b b+g D Xe , where b and g are the re-solution and trapping probabilities per second, respectively, and D Xe is the intrinsic diffusion coefficient of the gas.
Chemistry Reactions were monitored by thin-layer chromatography with silica gel 60 F 254 pre-coated aluminium plates (0. 25 mm). Visualization was performed under UV light and PMA oxidation. Filtrations were performed on Celite ® 545. Chromatographic purification of compounds was achieved with 60 silica gel (40-63 m). Unless otherwise noted, all reagent-grade chemicals and solvents were used as supplied (analytical or HPLC grade) without prior purification. Melting points were measured on a Stuart SMP3 apparatus with a precision of +/-1. 5 °C and are uncorrected. Infrared spectra (IR) were recorded on a FT/IR-4200 Jasco with an ATR-Golden gate. Liquids and solids were applied on the Single Reflection Attenuated Total Reflectance (ATR) Accessories. Data are reported in cm -1. Optical rotations were determined with a Jasco P1010 polarimeter with a 10 cm cell.
Specific rotations are reported in 10 -1 deg. cm 2. g -  and concentrations in g per 100 mL. 1  H NMR Spectra (400 MHz) and  13  C NMR spectra (100 MHz) were recorded on a Bruker 400 MHz NMR. The field was locked by external referencing to the relevant deuteron resonance. Data appear in the following order: chemical shifts in ppm which were referenced to the internal solvent signal, number of protons, multiplicity (s, singlet; d, doublet; t, triplet; dd, doublet of doublet, ddd, doublet of doublet of doublet, ddt, doublet of doublet of triplet, m, multiplet) and coupling constant J in Hertz. The abbreviation Ar is used to denote aromatic, br. to denote broad and app. to denote apparent. Coupling constants, J, are measured to the nearest 0. 1 Hz and are presented as observed. LC-HRMS analyses were performed on an ACQUITY UPLC H-Class system (Waters-Micromass, Manchester, UK) coupled with a SYNAPT G2-Si Q-TOF hybrid quadrupole time-of-flight instrument (Waters-Micromass, Manchester, UK), equipped with an electrospray (ESI) ionization source (Z-spray) and an additional sprayer for the reference compound (Lock Spray).
Acknowledgments This project was financed in part from  DGA  ( Direction Générale de l'Armement, Ministère de la Défense, France ),  ANR   Astrid  (project  ANR-12-STR-003 ), région Picardie and the  SATT Nord. G. B. was the recipient of a grant from  Région Picardie. The authors thank  Philippe Grellier  ( Muséum National d'Histoire Naturelle ) who graciously provided P. falciparum strains. We thank  Sophie Da Nascimento  for mass spectra recording.
Samples were sealed in cylindrical tin pans by melting the studied substance taking care that in-pan volumes were free of air. Additional high-pressure measurements within the pressure range 300-500 MPa were performed for 13DMA by means of a highpressure dielectric cell. A cylindrical stainless-steel capacitor was covered with a Teflon membrane and latex wrapping to avoid contamination with the pressurizing liquid (Huber oil). The capacitor was placed into a Cu-Be high-pressure chamber. Temperature scans at constant pressure were performed to determine the solid-solid transition temperature through the change of the dielectric permittivity across the transition. Details of the experimental system can be found in ref. [42]. X-ray powder diffraction measurements. X-ray powder diffraction data were recorded by means of a horizontally mounted INEL cylindrical position-sensitive detector (CPS120) equipped with a liquid nitrogen 700 series Cryostream Cooler from Oxford Cryosystems with a temperature accuracy of 0.
1 K and similar for fluctuations. The detector, used in Debye-Scherrer geometry, consisted of 4096 channels, providing an angular step of 0. 029°(2θ) between 2 and 120°. Monochromatic Cu Kα 1 radiation (λ=1. 54056 Å) was selected with an asymmetric focusing incident-beam curved quartz monochromator. The conversion channel-angle was performed by means of cubic spline fittings in order to correct the deviation from angular linearity in position-sensitive detector (PSD) according to recommendations using the cubic phase Na 2 Ca 3 Al 2 F 14 mixed with silver behenate  [43] [44]  as external-calibration. Samples were introduced into 0. 5-mm-diameter Lindemann capillaries which rotate along their longitudinal axes during data collection to minimize the effects of the preferred orientations. X-Ray patterns were acquired isothermally between 90 K and the melting point for 13DMA and 13DOHA, and till 486 K for 13DBrA in order to determine the lattice parameters as a function of temperature as well as the volume variation at the first order phase transitions.