dataesr/scientific-paragraphs-categorization huggingface dataset:
Numerical procedure As previously mentioned, the numerical modelling was conducted using the software OpenFoam to simulate the melting of PCM. The geometric model of Figs. 2 was created and meshed to solve the equations involving the melting process, namely the energy, continuity and momentum equations. Instead of following the formation of the liquid-solid front explicitly, an enthalpy-porosity formulation was used, after obtaining the enthalpy field and temperature, to characterize the phase change interface. The solution for temperature is essentially an iteration between the energy equation and the liquid fraction equation which is directly used to update the liquid fraction usually results in poor convergence of the energy equation.
All data were collected using 1 mM solution of the complexes in CH3CN/0. 1 M ( n Bu)4NPF6 at 100 mVs - 1 scan rates using GC working electrodes. Table  1. Electrochemical characteristics of complex 1-3. a The peak to peak separation (ΔEp) for Co II/I processes are not provided due to large irreversibility of the CVs. b  The diffusion coefficients are mentioned for the Co III/II processes, in cathodic scan. Complex E1/2 III/II (V) E1/2 II/I (V) a Ep III/IIb (mV) Dcat III/II , b cm 2 s -1 1 -0. On further cathodic scan, two successive irreversible oneelectron redox processes appear for 1 at -1. 85 V and -2. 05 V respectively (Figure  2a , dashed line). The redox process at -1. 85 V is assigned as reduction of Co(II) to Co(I) species, while the process at -2. 05 V is attributed to the reduction of the bpy ligand, in agreement with previously reported values for Ni or Fe complexes containing bpy ligands.
Acknowledgements This work was supported by the  ANR JCJC  project  NitroCOCa  ( ANR-17-CE05-0021 ). The calculations were performed using the HPC resources of  GENCI (TGCC)  through Grant  2019-810082. We thank  Lise-Marie Chamoreau  for assistance with the X-ray crystal structure determination of complex 3 and  Yuan-Zi Xu  for SEM measurements. Keywords: metal-thiolate complex, electrocatalysis, homogeneous CO 2 reduction, overpotential, density functional theory, reaction mechanism.
PRACTICAL IMPLEMENTATION OF THE METHOD The experience was done on a multi-crystalline module is the BP Solar BP350J with a maximum power of   = 50 realized at voltage of   = 17,5  and a current   = 2,9. Its open circuit voltage is   = 21,8  and its short circuit current is   = 3,2. These values are extracted of the datasheet of the panels. This PV module is built within 72 cells in 4 rows of 19 cells, connected in 2 parallel strings of 36 in series, each row being bypassed by a diode. Figure  1  shows the experimental bench, consisting of a multi-crystalline PV module, a dynamic load used to record the current and the voltage data of PV module, the measuring devices (amperemeter, voltmeter), and scope for plotted I-V characteristics. The concerned parameters experimentally determined are: -The solar irradiation  (mV) using a pyramometer placed at the center of the PV panel, and can be converted in W/m 2 according to its sensitivity  = 10,33 µ/ / 2.
Results In-silico structural reconstruction of TrotCOX. Since COX is the most relevant enzyme in the pathway, essential for the initiation of PGs synthesis, we used Phyre 2 (Protein Homology/analogY Recognition Engine V 2. 0)  24  to predict the possible structure of TrotCOX protein and to confirm that it belongs to peroxidase-cyclooxygenase superfamily. The multiple alignments developed by the Phyre program retrieved as best hits 13 structures of proteins belonging to the peroxidase-cyclooxygenase family (Table  1 , Supplementary Fig. 1 ). All of them shared 100% confidence and 94-99% coverage (Table  1 ). The first structure in the list shared a 19% identity and corresponded to a Bos taurus lactoperoxidase (BtLPO) already reported as representative of the peroxidase-cyclooxygenase superfamily  12  (Table  1 , Supplementary Fig.
, Richmond, Canada) using the T100 Thermal cycler (Bio-Rad Laboratories, Hercules, CA, USA). Retro-transcribed samples were again checked for DNA contamination by traditional PCR, as above, using intron-spanning primer pairs. Phylogenetic analyses. For cyclooxygenase phylogeny, the alignment from Di Dato et al. 15  was retrieved and all the sequences were blasted against the NCBI database. The best hits from each pBLAST were added to the analysis. Sequences were visualized and aligned in BioEdit Sequence Alignment Editor 52 using the ClustalW alignment algorithm implemented in BioEdit. The alignment was performed using MUSCLE online software and compared to the ClustalW output. The two alignments were identical. For maximum likelihood (ML) phylogenetic analysis both MEGAX  53  and RAxML were used.
Model test implemented in MEGAX identified the LG + G + I as the best substitution model on the basis of the Bayesian Information Criterion (BIC). 1000 bootstrap replicates were performed. Two different analyses were run in RAxML, one with the boot stopping option and one with 100 bootstrap replicates. All the analyses involved 58 amino acid sequences and 612 positions (including gaps). The two RAxML and the MEGA X trees were identical in topology and support. Phylogenetic trees were visualized and edited in the FigTree (Tree Figure Drawing Tool Version 1. 4. 3) software (http://tree. bio. ed. ac. uk/). The complete list of species and sequences used in the present work for phylogenetic analyses are listed in Supplementary Table  1. The corresponding sequences are reported at the end of the supplementary file, both the aligned sequences (with gaps) and the ungapped sequences.
The sequences from strain SkelB that were annotated as Skeletonema dohrnii in MMETSP database were changed to S. marinoi after ribosomal sequence identification. Sequence ID were left unchanged. The phylogenetic tree was built on scale in the branch length (scale bar reported on Fig. 3 ). Sequences are identified by the species name, followed by their MMETSP ID (deprived of the taxon). In-silico TrotCOX protein structure modelling and comparison. We used Phyre 2 (Protein Homology/ analogY Recognition Engine V 2. 0)  24  to predict the possible structure of TrotCOX protein. In order to compare the TrotCOX predicted structure to known models of the peroxidase-cyclooxygenase family, the BtLPO (3BXI. pdb, 10. 2210/pdb3bxi/pdb)  12, 25  and OaCOX1 structures were retrieved from the RCSB database (https://www.
Acknowledgements We thank the  Molecular Biology and Sequencing Facility at the Stazione Zoologica Anton Dohrn Napoli (P. De Luca ,  E. Biffali ,  R. Pannone ,  E. Mauriello ) for qPCR support. We are grateful to  Francesca Pane  and  Elena Scarpato  for their support in chemical quantization of prostaglandins and  Massimo Perna  for his technical assistance for growth media preparation. This work was supported by grants from:  Ocean Medicines  (Project ID:  690944 ) and Italy- South Africa joint Research Programme 2017 :  'Genomics  for a blue economy' funded by  Ministero dell' Ambiente e Della Tutela Del Territorio e del Mare.
The chosen frequency adaptation law guarantees the global convergence of the estimation error dynamics and as a consequence, ensures the global asymptotic convergence of the estimated parameters in the fundamental frequency case. Gain tuning of the proposed state observer is very simple and can be done using Matlab commands. Some guidelines are also provided in this regard. Matlab/Simulink based numerical simulation results and dSPACE 1104 board-based experimental results are provided. Test results demonstrate the superiority and effectiveness of the proposed approach over another state-of-the art technique.
III. NUMERICAL SIMULATION AND EXPERIMENTAL RESULTS In this Section, Matlab/Simulink-based simulation and dSPACE 1104 board-based hardware-in-the-loop experimental studies are considered to verify the feasibility and performance of the proposed approach. An overview of the experimental setup is given in Fig. 3. The setup used in this work use the dSPACE 1104 board to generate the three-phase grid voltage signals. The generated grid voltage signals are first passed through the digital to analog converter (DAC) outputs to create the physical signal. These physical signals are then passed through the analog to digital converter (ADC) input block to make them suitable for the algorithms implemented in digital form. This is achieved by physically connecting the DAC output to ADC input. This constitutes the complete hardware in the loop (HIL) experimental setup.
In grid synchronization literature, HIL experimental study is not uncommon  [35] ,  [39]. For the performance verification purpose, an unbalanced three-phase grid voltage signal has been considered with fundamental and fifth-order harmonics. The base signal is given by: - → V +1 = 0. 75∠0 • , - → V -1 = 0. 25∠0 • , - → V +5 = 0. 7∠0 • , - → V -5 = 0. 2∠0 •. Following the guidelines in II-B1, closed-loop poles are selected as -1. 5ω n ± iω n and -7. 5ω n ± i5ω n. The using place command in Matlab, the value of L is found. Frequency identification parameter is selected as κ = 2. 5 With the selected values of L and κ, the proposed observer (Fig. 1 ) is implemented in Matlab/Simulink with a sampling frequency of 10KHz. As a comparison technique, state-of-the-art multi-resonant double SOGI-FLL  [27]  is selected.
UV-DRS spectra was carried out on a Varian Cary 5 spectrometer equipped with an integrating sphere using polytetrauoroethylene as a reference in order to study the optoelectronic properties of the elaborated oxides and was recorded at room temperature in the wavelength ranging from 300 to 700 nm. The surface charge of the oxides was measured on a Zetasizer (Nano ZS, Malvern Instruments Ltd, 7. 12). The gas physisorption isotherms data were collected using a Micromeritics FlowSorb III Surface Characterization Analyzer using N 2. Prior to N 2 sorption, all samples were degassed at 300 C overnight. The specic surface areas were determined from the nitrogen adsorption/desorption isotherms (at À196 C), using the BET (Brunauer-Emmett-Teller) method. Dye solution concentration was measured using a UV-vis spectrophotometer (UV-2600, Shimadzu).
Acknowledgements We are indebted to ERASMUS+ programme (ka107) for nancial support to YE. We thank all administrative and technical support teams of the CAC at  Cadi Ayyad University , and UATRS at  CNRST. We should equally like to thank  Professor José Miguel Doña Rodríguez ,  VP for Coordination and Institutional Projects, of the University of Las Palmas de Gran Canaria, Spain , where a part of this work was achieved.
( 4 ) H α = H ape 2 (1 -cos α) (3) Energies 2020, 13, 4803 8 of 24 d α = H α H ape -H α 1 2. ( 4 ) With these considerations, three angles can be derived to describe the cavity geometry. The angle between the vertical absorber plane and the passive vertical surfaces, β = atan 2d ape c-L ape (see Figure  2 ), and the angles between the absorber plane and the top, and bottom passive surfaces, respectively γ h = atan d ape H t -H ape and γ b = atan d ape -d α H α (see Figure  3 ). The aperture is thus defined by four different parameters: d ape , α, L ape , H ape. Prior to any calculation the different geometry vertices and surfaces are numbered and set in a Matlab program.
Functions implemented in Matlab allow calculating the view  The thermomechanical stresses of Inconel 601 impose a wall temperature limit of 1000 • C. This temperature is reached for 480 kW/m 2. Given the high temperatures involved and the cavity effect, which will increase the net flux received by the absorber, the incident concentrated solar flux density is set to 400 kW/m 2 in this study. The latter corresponds to a wall temperature of approximately 950 • C. With such wall temperature level, the radiation emission of the absorber surface, given by ε IR σT 4 wall , equals 108 kW/m 2 which corresponds to roughly 27% of the incident solar radiation. Such order of magnitude unquestionably legitimates the choice of a cavity type receiver and the need for a geometrical optimization of the cavity to lower the radiation losses.
e. , the fraction of the flux density emitted by i and received by j. By definition, this term is a double integral, which only depends on the surfaces' geometry. Functions implemented in Matlab allow calculating the view factors between plane polygons by entering the coordinates of their vertices  [45]. Then, to calculate the radiosities of the involved surfaces, Equations (  9 ) and (  10 ) are written to obtain a matrix system of the form AJ = B => J = A -1 B (cf. Appendix B for the details of the A and B terms).
Funding: This work was funded by the  French "Investments for the future" ("Investissements d'Avenir")  programme managed by the  National Agency for Research (ANR)  under contract  ANR-10-LABX-22-01  (labex SOLSTICE) and the  U. S. Department of Energy, Solar Energy Technologies Office  under Award Number  34211. Additional funding was awarded by the  European Union 's  Horizon 2020 research and innovation program  under Grant Agreement  727762 ,  Next-CSP  project.
Acknowledgements The authors thank the  French Agence Nationale de la Recherche (ANR)  for funding the Project  COPHOTOFE  under reference  ANR-13-ECOT-0010. The  European Fund for regional development (EFRE/FEDER)  is acknowledged for partially supporting the work, in the frame of the project  PHOTOPUR , within the  Program Interreg-V Rhin Supérieur  and the  Sciences Offensive Call.
The AIMD simulations were performed using the CP2K software package. 29 All electronic minimizations were carried out using density functional theory (DFT) with the Quickstep implementation  30  where the orbital transformation method  31  was employed. DFT calculations used the generalized gradient approximation in the form of the revised Perdew-Burke-Ernzerhof (revPBE) exchange-correlation functional. 32 For a correct representation of dispersion interactions, Grimme's D3 corrections  33  were applied to all calculations. The single-zeta, molecule-optimized, short-ranged basis sets  34  (SZV-MOLOPT-SR-GTH) were used with the Goedecker-Teter-Hutter (GTH) pseudopotentials,  35  to represent atomic cores. The simulations were performed within the NVT canonical ensemble (both at 300 K and 653 K) using the Nose-Hoover thermostat chain  36  with a time constant of 13 fs.
A time step of 1 fs was used, and each simulation ran 9,000 AIMD steps, giving a total simulation time of 9 ps. Energy barriers to dissociative adsorption were calculated using the nudged-elastic-band (NEB) method as implemented within the Vienna Ab Initio Simulation Package (VASP). 37- 38   ASP calculations were performed with the Perdew-Burke-Ernzerhof (PBE) functional,  39  with Grimme's corrections, and with a planewave energy cutoff of 400 eV. The projector augmented wave (PAW) method  [40] [41]  was used to represent the interaction of electrons with atomic cores, which consisted of levels up to 1s for C and O, up to 2p for S and up to 5p for W. NEB calculations were performed on the reactive (10-10) edge-plane termination of WS 2 , with a single diphenyl oxide molecule dissociatively adsorbed at the surface.
Acknowledgements We thank the  Ministerio de Ciencia, Innovación y Universidades of the Spanish Government  for funding under Grant No. RTI2018-096393-B-I00 , and for the financial support related to measurements of thermal properties, which were carried out using devices acquired under Grant No. UNCA15-CE-2945. We also thank  Andalusian Government  for funding under Grant No. sol-201800107510-tra. PE acknowledges the  European Union  through the  European Regional Development Fund (ERDF) , the  Ministry of Higher Education and Research , the  French region of Brittany and Rennes Métropole  for the financial support of surface tension device. This work made use of the UK national supercomputer facility ARCHER, via RGC's membership of the  UK HPC Materials Chemistry Consortium , which is funded by  EPSRC  ( EP/L000202 ).
Nevertheless, the CASSCF  (14, 10)  proved to be the most stable with the proper asymptotic degeneracy expected for three consecutive pairs of singlet and triplet excited states (vide supra). Note that in linear configurations (e. g. , like in GS and MS1), the 4d z2 also overlaps with the σ orbital  [45] , which does not appear to be the case when the Ru-N-O is bent (e. g. , like in 3 GS, 3 MS2 and 3 MS1). All the CASSCF and CASPT2 calculations were performed with the OpenMolcas program package  [59] , using the Cholesky decomposition algorithm with a threshold of 10 -6 a. u. and the ANO-RCC-VTZP all-electron basis for Ru  [60]  and ANO-RCC-VDZP for all other atoms  [61]. This precision in the two-electron integrals was required to solve degeneracy issues at the dissociation asymptotic region.
All the CASSCF and CASPT2 calculations were performed with the OpenMolcas program package  [59] , using the Cholesky decomposition algorithm with a threshold of 10 -6 a. u. and the ANO-RCC-VTZP all-electron basis for Ru  [60]  and ANO-RCC-VDZP for all other atoms  [61]. This precision in the two-electron integrals was required to solve degeneracy issues at the dissociation asymptotic region. A level shift of 0. 3 a. u. and a standard IPEA shift  [62, 63]  of 0. 25 a. u. were used to run the CASPT2 calculations. The DFT calculations were performed with Gaussian 09  [64].
The clones were sequenced on Sanger ABI at Eurofins Genomics (Paris, France). The DNA sequence was then compared with Basic Local Alignment Search Tool (BLAST; blast. ncbi. nlm. nih. gov [101] ) for taxonomic identification. In addition, the Nephroselmis 18S rRNA sequence was placed with a representative selection of Nephroselmis spp. sequences taken from GenBank (similarly to  [102, 103]  with diatoms). The microalgal 18SrRNA sequence was deposited in GenBank (GenBank accession number: MT833289).
Survey Design and Administration A state-of-the-art Bayesian D-efficient design was generated based on the experimental attributes using Ngene, a choice experiment design software. The purpose of efficient designs in stated choice experiments is to minimize the standard errors of the estimated parameters  [48]. D-efficient designs are often used when sufficient parameter priors are available. Since we did not have much preliminary knowledge of our parameters other than the expected negative sign of cost and time parameters, Bayesian D-efficient design was chosen as it better accounts for incorrect priors  [48]. The attribute level design included cost, door-to-door (D2D) travel time, the number of passengers ridesharing with each respondent in the SAV, as well as the gender of these passengers.
The survey was distributed to the general public using a snowball sampling plan, by the country coordinators via auto interest groups, public transport providers, national road agencies, engineer's organizations, car clubs, and other routes including newsletter and social media of interest groups. The aim of this distribution strategy was to allow the survey to be distributed via diverse channels and interest groups, namely users of public transport, nonmotorized transport modes, and cars. As the data was collected from January 2020 to July 2020, some of the data was collected prior to the COVID-19 outbreak in Europe, and some was collected after lockdown restrictions were introduced locally or nationally. All respondents answering after April 2020, were asked to consider their travel patterns prior to any COVID-19 related travel concerns and restrictions imposed in their area potentially affecting their travel choices.
Descriptive Statistics While each individual answered six SP questions, only responses where AV or CAR were chosen, were analyzed. As our focus is on private AV acceptance compared to private regular car, leaving aside the question of car or ride sharing, all SAV choices were removed from the data set used for the analysis. After removing 3752 choice observations where SAV was chosen, 7953 observations were left. In total 200 incomplete questionnaires were removed, and consequently, the final data set had 7163 mode choices observations from 1669 individuals. On average, 4. 3 observations from each individual were included in the data set. The number of respondents and observations used for this analysis, from each country are summarized in Table  5 : The socio-demographic characteristics of the sample are summarized in Tables  6 7 8.
In all countries, the majority of respondents identified themselves as males. The Hungary sample had the highest share of men, 86%. The data also included information about the number of family members living in the same household: 43% of the respondents came from households of over four members, 20% of three members, and 27% of two members and 10% of households had only one member. All country samples underrepresent a single-member household. Furthermore, all samples overrepresented large households. It should be noted that Hungary and the United Kingdom showed different proportions: the largest group was of two members household size rather than four plus, both of which correspond with national trends compared to the other six selected countries. Table  7  presents the statistics regarding the respondents' education and employment levels.
The respondents' unemployment share in Montenegro was 24%, which is higher than in other countries and is overly represented in comparison to the Eurostat data  [54]. It should be noted that COVID-19 employment impacts are not reflected yet in the Eurostat data. Table  8  presents the income range of the respondents and car ownership of the respondents. The annual gross household income was reported in income bands, which were defined separately for each country based on reported country statistics. The respondents were asked to pick one income band from a drop-down menu of 20-25 country specific income bands. The income bands were converted to four country-specific income groups: low-class (L), middle-class (M), high-class (H), and not willing to disclose. Besides the "no answer" class, all classes had about the same number of distributed income bands.
Furthermore, while the questionnaire was the same for all countries, there were unavoidable inconsistencies in data collection indifferent countries. The data were collected by different country coordinators and through various distribution channels, through January-July 2020, with the COVID-19 pandemic outbreak in Europe falling in the midst of data collection. There was also a lack of standardization between countries in the collected data, with regards to the socio-demographics of the samples and the sample sizes, which most probably influences comparability of our samples. Therefore, additional research with larger sample sizes and a better coordinated approach should be carried out. Further research should include more countries and more automated modes such as shared automated vehicles and automated transit as well as slow modes such as walking, biking, and micro-mobility modes such as e-scooters, to explore the full range of AVs acceptance.
Acknowledgment Chevreul Institute (FR 2638)", "Ministère de l'Enseignement Supérieur et de la Recherche", "Région Hauts-de-France", "FEDER" and "C'Nano Nord-Ouest compétence centre " are acknowledged for supporting and funding this work. The  TEM facility in Lille (France)  is supported by the  "Conseil Regional des Hauts-de-France" and the "European Regional Development Fund (ERDF) ".
ACKNOWLEDGMENTS This study has been supported by  CNPq  ( Conselho Nacional de Desenvolvimento Científico e Tecnológico ) -Project Ciências Sem Fronteiras:  249132/2013-3  and  ITV -Instituto Tecnológico Vale. The authors also thank  Elisabeth Fonseca  and  Antonio Clareti , geologist and engineer, respectively, from  VALE. One of the authors, E. Mano acknowledges The Mineralogical Society of Great Britain and Ireland  ( Clay Minerals Group ) for a student travel grant, which allowed her to present these results at the 16 th International Clay Conference, held in Granada -Spain in July, 2017.