dataesr/scientific-paragraphs-categorization huggingface dataset:
( 18 ) where s i,h τ , the function catching the effect of the temperature, is approximated by a cubic spline. Fixing the number of knots k and their positions is enough to determine a linear basis of dimension k in which this function can be projected. The mgcv R-package permits to estimate the coordinates of the spline in its basis and all the coefficients ξ i,h L , ξ i,h N , ξ i,h H , γ i,h L , γ i,h N , and γ i,h H defined in Equation (  18 ), which catch tariff effect. We highlight that models fitted on variances are linear. Both models (on mean and standard deviation) are estimated simultaneously, by setting the model family parameter of the gam function to the Gaussian location-scale model family. Once the function and coefficients have been estimated (we write s i,h for the estimation of s i,h and so on), for any tariff p, the estimations µ i,h (x h t , p) and σ i,h (p, x h t ) are computed: µ i,h (x h t , p) = s i,h τ (τ h t ) + ξ i,h L 1 p=Low + ξ i,h N 1 p=Normal + ξ h H 1 p=High  (19)  and σ i,h (p, x h t ) = γ i,h L 1 p=Low + γ i,h N 1 p=Normal + γ h H 1 p=High.
To reduce dimension of non-negative matrices, the factorization method proposed by  Paatero and Tapper [1994]  and  Lee and Seung [1999]  that uses non-negativity constraints is considered. The integer r min(|I|, H|P|) that will ensure a reduction of the dimension is fixed (we chose r = 5 in our case study). The non-negative matrix factorization (NMF) approximates matrix of profiles M with WH by minimizing the euclidean distance between both matrices under the constraint that W and H are non-negative matrices of size |I| × r and r×H|P|, respectively. Function NMF of the Python-library sklearn. decomposition allows to approximate W and H with a coordinate descent solver. For simplicity of notation, W is confounded with its approximation. Thus, for any household i ∈ I, we get r features, namely the i th line of matrix W, that we denote by W i • in the following.
This protocol led to an easy multi-gram-scale production of highly crystalline KMF-1 with particle sizes ranging between 0. 4 and 1 μm as displayed by scanning electron microscopy (SEM) images (Supplementary Fig. 4 ). A relatively good STY over 68 kg m -3 day -1 was obtained after simple purification with water and ethanol, which is much higher than the value previously reported for the best water adsorbent Co-CUK-1 so far (24 kg m -3 day -1 ) (Supplementary Table  1 ). Importantly, this material was shown to be potentially easily scalable since there is no significant difference between resulting products of KMF-1 after synthesis in 50-mL and 500-mL reaction scales. The crystal structures of KMF-1 for the hydrated (Fig. 1 ) and anhydrous (Supplementary Fig. 5 ) samples were solved using a powder charge flip method  41  and then refined with Jana2006 package  42  over the corresponding synchrotron powder diffraction data.
e. , λ = 1. 5225 Å and λ = 0. 9000 Å, respectively. The detector arm of the vertical scan diffractometer consisted of seven sets of Soller slits, flat Ge(111) crystal analyzers, anti-scatter baffles, and scintillation detectors, with each set separated by 20°. Data for hydrated KMF-1 were obtained on the sample at room temperature in flat-plate mode, with a step size of 0. 01°for a scan time of 3 s per step, and overlaps of 2°to the next detector bank over the 2θ range of 5-100°. For anhydrous KMF-1, the sample was obtained in transmission mode as Debye-Sherrer pattern with 66 mm sample-to-detector distance and 30 s exposure time on a Rayonix MX225HS CCD area detector with a fixed wavelength (λ = 0. 90000 Å) on BL2D-SMC. The PAL BL2D-SMDC program  48  was used for data collection. The Fit2D program  49  was used for the conversion of integrated two-dimensional (2D) patterns to one-dimensional (1D) patterns, wavelength and detector refinement, and the calibration measurement of a National Institute of Standard and Technology (NIST) Si-640c standard sample.
Powder samples were packed in a 0. 4-mm diameter (wall thickness = 0. 01 mm) capillary (Hampton Research Inc. glass number 50). The capillary tube was attached to a custom-made goniometer head with a custom-built vacuum manifold and heated up to 150 °C (using Cryojet 5) under vacuum condition. Powder X-ray diffraction patterns were indexed using the DICVOL06 program implemented in the FullProf program suite. Profile refinement of the structure model was performed using the Rietveld method in the JANA2006 package and the GSAS program package. During Rietveld refinement, a pseudo-Voigt function and microscopic broadening, together with a manually interpolated background, were used to describe the peak shapes. KMF-1 was considered as a rigid body, and its thermal motion was described using TLS method  43.
Measurement of water isotherm and cyclic water adsorption/desorption. Water-sorption isotherms were measured by an intelligent gravimetric analyzer (IGA, Hiden Analytical Ltd. ). The IGA was automatically operated to precisely control the water vapor pressure (1-95% RH) and temperature (10-100 °C). Prior to adsorption experiments, samples were fully dehydrated at 150 °C for 12 h under high vacuum (<10 -6 Torr). Multiple cycles of water adsorption-desorption were performed using a thermogravimetric analyzer (TGA, DT Q600, TA Instruments, Universal V4. 5 A) connected with a humidity generator. The humidity was controlled by using two mass flow controllers, and a humidified nitrogen gas flow was passed through a thermogravimetric balance. The adsorption profiles were measured at 30 °C in humid nitrogen with 35% RH, while desorption data were collected at 70 °C and 100 °C in dry nitrogen with 4.
1b, 22, and 23) approach  47  was applied to obtain the kinetic curves (Supplementary Fig. S25 ) at different boundary conditions for AC and AHT applications using shaped KMF-1 granules (Supplementary Fig. 22  and Table  7 ). The characteristic sorption time (τ) as well as SCP max , SCP 80% , SHP max , and SHP 80% were calculated on the basis of both kinetic and isobaric sorption measurement data (Supplementary Fig. 25 ) as explained in more detail in the Supplementary Information section 18. Molecular simulations. The initial structural model of the Al-MOF incorporating PyDC was built in silico, starting with the CAU-10 framework. The resulting model was then fully geometry optimized by density functional theory (DFT), including the relaxation of both unit cell and atomic positions. These DFT calculations were carried out within the Gaussian plane waves method as implemented in CP2K package within generalized gradient approximation (GGA) with the Perdew-Burke-Ernzerhof (PBE) exchange functional  50.
The energy cutoff for the plane waves is set at 500 Ry. Goedecker, Teter, and Hutter (GTH) pseudo-potentials approximation  51  and doublezeta-basis sets (DZVP)  52  were employed, while DFT-D3 van der Waals dispersion corrections were considered with a cutoff radius of 10 Å  53. The density-derived electrostatic and chemical (DDEC) net atomic charges  54  were further computed using the DFT optimized electron density as an input (Supplementary Table  2 ). Geometric properties of the MOF framework, including the free pore volume, N 2 -accessible surface area, were computed using the Zeo + + software package  55. Configurationalbias GCMC simulations were performed to predict the water-adsorption isotherms at T = 30 °C. The simulation box was made of 12 conventional unit cells (3 × 2 × 2), maintaining the atoms fixed in their initial positions.
Acknowledgements Korean authors are grateful to the  Global Frontier Center for Hybrid Interface Materials of Korea (GFHIM)  (Grant No. NRF-2013M3A6B1078879 ) and the  National Research Council of Science & Technology (NST) of Korea  (the  R&D Convergence Program ,  CRC-14-1-KRICT ) for financial support. X-ray crystallography experiments with synchrotron radiation were performed at the  Pohang Accelerator Laboratory. We thank the  Center for Computational Engineering and Sciences (FAPESP/CEPID  Grant #  2013/ 08293-7 ) and CINES (cmc2017 project) for the computational resources.
Western Blots and Microscopy Blots were performed as described in  [40]  using a precast gel (Bio-Rad) and a 0. 1µm nitrocellulose membrane that was cut horizontally and treated with primary antibodies α-FLAG (monoclonal, mouse, raised against KLH-conjugated DYKDDDDK synthetic peptides by Agrisera [AS15 2871], dilution: 1:10 000), CF1-β (polyclonal, rabbit, raised against CF1-β [57], dilution: 1:50 000) or Rubisco (polyclonal, rabbit, raised against Rubisco holoenzyme  [58] , dilution: 1:20 000). Bands were quantified using Image Lab software (version 6. 0. 0, Bio- Microscopy was performed as described in  [40]. Individual cells were cropped out of larger fields-of-view, brightness was adjusted for clarity and linear yellow or magenta look-up tables applied applied in Fiji (http://fiji. sc/Fiji, version 2.
Acknowledgements I would like to thank  Francis-André Wollman  and  Michael Schroda  for critical reading of the manuscript, as well as  Richard Kuras  and  Yves Choquet  for helpful discussions and advice. Financial support from the  Rothschild Foundation, LabEx Dynamo  ( ANR-LABX-011 ) and the  ChloroMitoRAMP grant  ( ANR-19-CE13-0009 ) as well as annual funding from the  Centre National de la Recherche Scientifique and Sorbonne Université  to  UMR7141  is gratefully acknowledged.
Acknowledgements The authors warmly thank  Dr Françoise Pillier  for help with SEM measurements, and  Dr David Wakerley  for valuable assistance for electrochemical measurements and analyses. This work was supported by the  ANR   JCJC  project  NitroCOCa 5508 | Chem. Sci. , 2020, 11, 5503-5510 This journal is © The  Royal Society of Chemistry  2020.
Development and specifications of the proposed energy ship design The model presented in section 2 allows the power production of a FARWINDER to be calculated as function of the wind conditions (true wind angle β, true wind speed W). As explained in that section, the induction factor a can be optimized in order to maximize energy production. Moreover, energy production depends on the thrust force of the chosen wind propulsion subsystem (Flettner rotors, see section 3. 1), which itself depends on their rotational velocity. Therefore, a numerical program was developed to determine the optimal induction factor and rotational velocity as function of the FARWINDER design and the wind conditions. A brute-force search was used for the optimization. The constraints on the maximum rotational velocity of the Flettner rotors, maximum thrust on the rotors as well as maximum power of the generator of the water turbine are taken into account through penalization in the optimization loop.
Acknowledgements J. P. is indebted to the  IRS Université Paris-Saclay MOMENTOM program  for a postdoctoral grant. Université Paris-Sud  ( ERM  project) is acknowledged for nancial support for the Cobalt-60 panoramic gamma source and LABEX CHARMMMAT and NANOSACLAY for technical support. This work was supported by the  French Infrastructure for Integrated Structural Biology (FRISBI)   ANR-10-INSB-05-01. P. Mejanelle  is acknowledged for the ICP-OES measurement.
Characterization. To get information on the structure and composition of the obtained nanoparticles, X-ray diffraction (XRD) was performed on a high-temperature Philips X'Pert Pro diffractometer. Diffraction patterns were recorded using Cu Kα radiation (40 mA, 45 kV) over 2θ range of 5° -90° and a position-sensitive detector using 0. 05° step size and 1200 s step time. XRD data were acquired at room temperature, 220 ºC and 350 ºC. The temperature heating rate was 10 ºC/min. International Centre for Diffraction Data (ICDD) was used as XRD database. The nanoparticles morphology and size were studied by high-resolution transmission electronic microscopy (HRTEM) by averaging over 200 particles on a 200kV JEOL JEM-2010F instrument with a structural resolution of 0. 19 nm at Scherzer defocus conditions.
Acknowledgment Financial support for this work has been obtained from the  Spanish Ministerio de Economía y Competitividad (MINECO)  ( ENE2015-66975-C3-2-R ) co-financed by  FEDER  funds from the  European Union. C. E. acknowledges financial support from the  Spanish government  ( MAT2012-38567-C02-02 ). The authors thank the support of  ALBA  staff for the successful performance of the measurements at the CIRCE beamline of the  ALBA Synchrotron Light Source.
Electrochemical characterization of HDA modified GC electrodes. -All electrochemical experiments were conducted in an electrochemical glass cell containing a 0. 1 M KCl or 0. 1 M phosphate buffer (pH 7) solution at room temperature placed inside a Faraday cage. The CV and EIS were recorded using an Autolab PGSTAT204 potentiostat/galvanostat (Ecochemie). An Ag/AgCl and a platinum gauze (1 × 0. 5 cm 2 ) were utilized as the reference and counter electrode, respectively. All electrochemical experiments were carried out in the two aforementioned electrolytes without O 2 saturation since the aim of this work was to investigate the intrinsic behaviour of dissolved O 2 in stagnant aqueous electrolytes. The electrochemical data were treated and analyzed using Origin 9. 1 software. The EIS fittings were performed using NOVA 1.
To investigate the stability of the HDA monolayer film towards the ORR, 10 cycles of CV were scanned as shown in Fig. 3. The CV shows that, after three cycles, the current stabilizes as the oxygen concentration profile has been set up at the electrode surface. This can be further explored by using Digital simulation programs such as DigiElch and Digisim. However, it is beyond the scope of the present study. We have also probed the ORR in a phosphate buffer (PB) solution (pH 7) as demonstrated in Fig. 4A. It seems that the cathodic current acquired using the HDA modified GC electrode in PB solution (red) is of the same magnitude as the one recorded in a KCl solution (black). The currents for both datasets from three different HDA modified electrodes were compared as depicted in Fig. 4B. Additionally, through statistical analysis using a student t-test, no significant differences were found when comparing the cathodic peak currents measured in the two solutions (KCl and PB).
Selected Simulation Results Under synchronous control, in order to validate the equivalence between the two conversion circuits that were either based on the two switches S 1 and S 2 , or based on the single switch S' 1 , the solar energy harvesting system (Figure  5 , top and bottom) was simulated in the two cases for the same parameters provided in Table  1. Simulations were performed in the MATLAB/Simulink environment. A variation of the irradiance G was applied to the PV array, with a time varying from 400 W/m 2 to 1000 W/m 2. In the case of the circuit based on the two switches S 1 and S 2 (Figure  5 , top), a global vision of the simulation results is provided in Figure  8. In the time interval [0 s, 1 s], the irradiance level increases from 400 W/m 2 to 1000 W/m 2 and the panel temperature is set to 25 • C.
In the previous sections, the design, as well as the operating modes of the single switch conversion circuit, are detailed. Mainly, the different conduction modes (DCM and CCM) of the two inductances are discussed. The choice of the CCM for the load side of the converter is justified. In steady-state condition, one switching period of the single switch converter goes through four operation modes, during which the inductors L 1 and L 2 must work in DCM and CCM, respectively. The control of the converter was also studied. The Photovoltaic-battery-load power system was modeled with MATLAB/Simulink environment and the obtained simulation results confirm the equivalence between the two conversion circuits in terms of control effectiveness and system performances. In addition, experimental results also confirm the equivalence between the two circuits.
Introduction 2] [3] [4] [5] [6] [7] [8]  This is the reason why much international effort is now being devoted to a rational design and development of lower-cost PGM-free ORR electrocatalysts. Large research consortia, such as the ElectroCat network  9  funded by the US Department of Energy and the EU projects CRESCENDO 10 and PEGASUS  11  funded by the Fuel Cells and Hydrogen Joint Undertaking (FCH-JU), are working to meet specific performance targets. 24] [25] [26] [27] [28] [29] [30] [31] [32]  Unlike PGM-based single atom catalysts, where the atoms exist in a carbon matrix as a sole atoms  33, 34  or dimeric compounds,  35  iron generally has to be coordinated with hetero atoms. Several general approaches have been established in order to control the carbon micro and/or meso-porosity in M-N-C catalysts, a key for high performance: functionalisation of microporous carbon blacks with metal and N precursors, 4 hard-templating of C and N precursors with e.
At another laboratory, nitrogen physisorption was conducted on a Micromeritics Tristar II 3020. The analysis temperature was 77 K and the BET equation was also used to estimate the total surface area. The best region for the linear fit was determined by the Rouquerol method. 90 Samples were degassed and dried overnight at 300 1C under flowing nitrogen prior to the measurement. Gases used were nitrogen (BIP plus-X47S) for drying and adsorption and He (BIP plus-X47S) for free-space measurement. Pore volume was determined as per NLDFT as implemented in the software Micromeritics ''Microactive for Tristar II''. The model was based on a slit shaped pore. X-ray photoelectron spectroscopy. The XPS measurements were carried out in a custom-designed UHV system equipped with an EA 125 Omicron electron analyzer ending with a five channeltron detector, working at a base pressure of 10 À10 mbar.
69 It is important however to note that the Mo ¨ssbauer signature of high-spin Fe(III)N 4 sites and nanosized ferric oxides is similar, the latter leading to a sextet spectral component only at very low temperature (o60 K) and/or in the presence of an external magnetic field. 14 The minor presence of nanosized ferric oxides can therefore not be entirely excluded from room temperature Mo ¨ssbauer Note: the electrochemical data are cross-laboratory averaged values. Each catalyst was measured in at least two different laboratories with two to three repetitions for each catalyst loading.
Acknowledgements The research leading to the present results has received funding from the  Fuel Cells and Hydrogen 2 Joint Undertaking  under grant agreement no. 779366. This Joint Undertaking receives support from the  European Union 's  Horizon 2020 research and innovation program ,  Hydrogen Europe  and  Hydrogen Europe  research. P. S. acknowledges partial financial support by the  German Federal Ministry of Education and Research  under the  German-Israeli battery program  via the grant '' Korrzellkat''  with  FKZ 03XP0251.
Conclusion This paper has evaluated the outlet temperatures of a slinky-type HGHE installed in a multilayered soil field by considering the local metrological and geological conditions. The numerical simulations were firstly validated by the measured data from literature. The results showed the good capacity of the proposed framework to consider the atmosphere-soil-HGHE interaction. The yearly variations of the in-situ hydrothermal properties were investigated on the With interaction Without interaction Overestimation horizontal line probes positioned at 5 different depths. The results showed that the soil surface temperature and the ground heat flux were obviously affected during the service period of the HGHE. The affected surface zone had lower temperatures than the unaffected zone while a higher ground heat flux was observed in this zone.
An alignment around the phosphorylation site for the above mentioned pCK2 target peptides supports an over-representation of acidic amino acids in the +1 and +3 positions (Figure  S6 , Sch€ onberg et al. , 2014). Except for PGRL1B, OEP6 and Toc159, all proteins are equally abundant in wild-type and pck2 knockdown plants; thus, it is their phosphorylation state and not overall protein abundance that is affected by the mutation in pck2 (Figure  S7 ). Together, both datasets support the notion that the identified proteins are direct targets of pCK2.
Immunodetection was conducted by chemiluminescence using a Fusion Fx7 illumination system (Vilber, Marne-la-Vall ee, France). Primary antibodies against RCA P-Thr78 were generously provided by  Kim et al. (2016). Protein identification and quantification using the Synapt G2-S mass spectrometer Tryptically digested samples from protein extracts obtained from isolated chloroplasts were dissolved in 2% (v/v) acetonitrile and 0. 1% (v/v) formic acid and injected into an ACQUITY UPLC System connected to a Synapt G2-S mass spectrometer (Waters Corp. , Eschborn, Germany). Nano-LC separation (140 min gradient) and high-definition (HD)-MSE data acquisition was conducted as described previously  (Helm et al. , 2014)   (Helm et al. , 2014). To search for pCK2 in plant extracts, we performed targeted assays using isotopically labelled peptides.
To this end, we spiked 12. 5 fmol labeled proteotypic peptides of pCK2 into wild-type, pck2 knockdown and pck2 knockdown/TAP pCK2 extracts. We searched for the labeled peptides by a modified MRM method on a Synapt G2-S (Waters Corp. ) with MassLynx 4. 1 SCN916 (Waters Corp. ). In brief, the HD-MRM scan time was set to 0. 15 sec and the orthogonal acceleration pusher and the ion mobility separation were synchronized (wideband enhancement). Furthermore, the LM resolution of the quadrupole was adjusted from 4. 7 to 7. 0 to narrow the isolation window of the quadrupole. For the SIL peptides, a database containing only these peptides was created and the database search query was adjusted, such that only one peptide was necessary for identification. As a result of their isotope label, SILAC modification on lysine (U-13 C 6 ; U-15 N 2 ) and arginine (U-13 C 6 ; U-15 N 4 ) was set as the fixed modification.
Two fragmentation regimes were employed for MS/MS phosphopeptide sequencing. Conventional CID and CID with MSA were performed to further fragment the ion peaks resulting from neutral loss of the phosphate moiety by dissociation of the high energy phosphate bond to generate MS/MS spectra with more intense b-and y-fragment ion series rich in peptide sequence information. MS raw files were analyzed using MaxQuant, version 1. 6. 10. 43, for phosphopeptide assignment  (Tyanova et al. , 2016). The search engine was used with default settings, including PSM, peptide and protein FDR set at 1% and match between runs enabled. The A. thaliana database (Araport11; https://www. arabidopsis. org) with contaminants included was used as the analytical basis. Precursor mass tolerance was set to 20 p. p. m.
and the fragment ion tolerance was 0. 5 Da. Carbamidomethylation of cysteines was set as the fixed modification and oxidation of methionine, acetylation of protein N-termini, pyroglutamate formation and phosphorylation of serine and threonine as variable modification, with two missed cleavages allowed. For quantification by the MaxLFQ algorithm  (Cox et al. , 2014)  a minimum ratio count of two unique or razor peptides was required. The MS data were uploaded to the ProteomeXchange consortium at PRIDE (https:// www. ebi. ac. uk/pride) and are available under accession PXD014930.
The injection temperature was 230°C and the transfer line and ion source were set to 250°C. The initial temperature of the oven (85°C) increased at a rate of 15°C min À1 up to a final temperature of 360°C. After a solvent delay of 180 sec, mass spectra were recorded at 20 scans sec -1 with a scanning range of m/z 70-600. Chromatograms and mass spectra were evaluated using Chroma TOF, version 4. 5 (Leco) and TagFinder, version 4. 2  (Luedemann et al. , 2008). Heat maps were created with MeV software (http://www. tm4. org/mev. html), using the log2 of the fold changes to average all of the data across all tissues.