dataesr/scientific-paragraphs-categorization huggingface dataset:
These data are obtained from the Datastream database. We use the NYMEX light sweet crude oil futures prices as a proxy for crude oil prices and calculate the residuals from an ARMA (1,1) model using the VIX index to capture innovations linked to the changes in the market discount rate, which tend to covary with the risk attitudes of investors in financial markets. The daily data sample is from 5 January 2000 to 31 October 2018, with the choice of sample period purely driven by data availability of the shocks, given that we obtain the data on the oil and financial market innovations from the work of  Demirer et al. (2020).
Acknowledgements The authors gratefully acknowledge financial support of this work by the  French National Research Agency  and the  Deutsche Forschungsgemeinschaft (CODEC ,  ANR-19-CE05_0030_01 ;  NiFemim ,  ANR-DFG-2016-NLE ), from the  France-Germany Hubert Curien Program -German Academic Exchange Service (DAAD)  (Procope 2019-2020 project  42525PB  /  DAAD  project  57445526 ), and from the  Max Planck Society.
X-ray diffraction X-ray diffraction analysis was carried out with a Malvern Panalytical Empyrean 3 which is equipped with a Bragg-Brentanno High Definition (BBHD) divergent beam optic and a PIXcel 3D detector (1D scanning mode, 3. 3471 active length), using CoKa radiation. The sample was placed on a programmable xy-platform with z-adjustment and brought into diffraction position with an automatic height sensor and alignment camera. The incoming X-ray beam diameter was optimised to irradiate the area of interest by using a 2 mm fixed mask, a 1/41 anti-scatter slit, and a 1/161 divergence slit. The scan range was 5-851 2y, with a step width of 0. 01313031 2y and a total counting time of 797 s per step. The phases were identified using the software DiffracPlus Eva version 10. 0 (2004) and database PDF-2 (ICDD, 2004).
Unit-cell parameters of the phases were determined with Rietveld refinement using the software HighScore (Plus) version 4. 8 (2018). 26 The background, including a pronounced 'amorphous hump' was subtracted before the refinement. 8] [29]  The profile was fitted with Pseudo-Voigt functions. Refined parameters included specimen displacement, scale parameters, up to five peak-shape parameters, unit cell dimensions and preferred orientation parameters of all phases. Preferred orientation was pronounced in all three phases probably due to insufficient number of crystallites (hematite and MgPt 3 O 6 ) and possibly uniaxial stress (Pt capsule). The numerical criteria of fit were R wp = 2. 9864, R exp = 1. 94, R p = 1. 732, S = 1. 537 (Table  1 ).
Phylogenomic analysis A phylogenomic tree was constructed with all Thermococcales genomes retrieved from the NCBI genome database (https://www. ncbi. nlm. nih. gov/genome) using a set of 59 conserved phylogenetic marker proteins (Table  S2 )  [33]. Sequences from three Methanococcus genomes (M. aeolicus, NC_009635. 1; M. vannielii, NC_009634. 1 and M. voltae, NC_014222. 1) were used as out-group. For each protein, sequences were aligned using MAFFT v7. 055b (parameter 'linsi')  [34]  and alignments were trimmed using BMGE v1. 12 (default parameters)  [35]. All alignments were then concatenated, and conserved positions across all genomes were removed with Seaview v4. 6  [36]. The phylogenomic tree was computed with PhyML v3  [37]  on the ATGC Montpellier Bioinformatics webserver (http://www.
atgc-montpellier. fr). Model selection was done with SMS  [38]  using Akaike information criterion. The best model used for the tree was 'LG'  [39]. Comparative genomic analysis was performed using EDGAR 1. 3 software framework (http://edgar. computa tional. bio. uni-giessen. de) [40]. Homology searches were conducted with BLASTp using default settings (http://blast. ncbi. nlm. nih. gov/Blast. cgi). Studies of synteny of genes were performed using the SyntTax software (http://archaea. u-psud. fr/synttax) using default parameters  [41].
e. , 2 mM) and with moderate concentrations of dissolved H 2 , compared with those usually detected in deep-sea hydrothermal fluids (i. e. , 0. 8 mM), formate production was inhibited at the higher formate concentrations (1077 µM, Fig. S4 ) in regard to the highest levels detected in these environments (e. g. , 158 µmol kg -1 of hydrothermal fluid for Lost City)  [75]. Hence, although thermodynamic constraints strongly controlled H 2 -dependent formate production, our experimental data suggest that environmental formate concentrations should not limit formate production in most of the hydrothermal habitats described so far. In addition, effects of S 0 were also assessed as H 2dependent formate production is an alternative pathway to S 0 reduction for reducing-equivalents disposal. An increase in S 0 concentrations stimulated T.
0 mM, 0. 2 mM, and 20. 0 mM, respectively. The Green dashed line defines the experimental in vivo point of the chemical equilibrium of the reaction measured for T. onnurineus NA1 in culture medium after 96 h of incubation at 80 °C (see details Fig. S4 ). Effect of H 2 concentrations were examined in a range of 0-80% (v/v; 200 kPa; 0-0. 8 mM dissolved H 2 ) with CO 2 concentrations kept at 20% (v/v). The effect of formate concentrations was examined in a range of 0 to 1 mM. ASW medium contained: 2 mM bicarbonate, 0. 2 g L -1 yeast extract and no S 0 was added. Grey squares represent environmental concentrations measured for seawater and six hydrothermal vent fields (data available in Table  S4 ). dependent CO 2 reduction to formate occurred in these conditions (Fig. 6 , S4-6), and even at hydrothermal sites for which formate oxidation was the most favourable.
Acknowledgements The authors thank  Christophe Brandily ,  Françoise Lesongeur  and  Nadège Quintin  for technical support, and  Yves Fouquet ,  Karine Alain ,  Mohamed Jebbar ,  Jordan Hartunians  and  Jean-Pierre Donval  for useful discussions. We are much indebted to anonymous referees for their helpful comments. We also thank  Cécile Cathalot  for providing hydrothermal fluid samples and  Marie-Anne Cambon-Bonavita , chief scientist of BICOSE 1 and 2 cruises. All crew members and the Scientific Party were crucial in this effort, especially the  ROV 'Victor 6000' and DSV 'Nautile' crews  for the sampling efforts. Sébastien Le Guellec  was supported by the  'Laboratoire d'Excellence '  LabexMER  ( ANR-10-LABX-19 ) and co-funded by a grant from  Ifremer  and the  Regional Council of Brittany.
Methods and instrumentation MALDI-MS spectra were recorded using a TO-4X KOMPACT SEQ, KARTOS, UK, mass spectrometer. Major fragmentations are given as percentages relative to the base peak intensity. 1 H NMR spectra were obtained at 400 MHz using a Bruker 400 Advance NMR spectrometer with X-WIN NMR software and all the 1 H NMRs were referenced to trimethylsilane (TMS). The elemental vario MICRO CUBE analyzer was used to perform elemental analysis. Electrochemical studies were performed using a PC-controlled CH instruments model CHI 620C electrochemical analyzer. 1 mM solutions in THF solvent were used for cyclic and differential pulse voltammetry studies. The supporting electrolyte was 0. 1 M tetrabutylammonium perchlorate (TBAP) at a scan rate of 100 mV s À1 using glassy carbon, the saturated calomel electrode (SCE), and platinum wire as working, reference and auxiliary electrodes, respectively.
Picosecond transient absorption spectroscopy (TAS) measurements The picosecond pump-probe set-up for TAS measurements with a streak camera detector was used to investigate regeneration and geminate recombination kinetics in the LG8-LG10 based DSSCs. The set-up is explained in detail in our previous report. 41 ye regeneration and recombination kinetics are measured after pump excitation at 430 nm. A 700 mJ cm À2 pump fluence was used. A 455 nm long-pass filter (Thorlabs) was placed before the spectrograph to remove scattered light from the pump. The transient absorption is calculated from four streak images according to the equation: DA = Àlog((data À emission)/(monitor À dark)) where data represent the intensity of the image obtained when both pump and probe are on, emission when only pump is on, monitor when only probe is on, and dark when both pump and probe are off in order to subtract the contribution of the stray light.
DFT studies The attained optimized structures for LG8-LG10 were stable and confirmed by means of genuine global minimum energy, which was carried out by Density Functional Theory (DFT) and B3LYP hybrid functional. 42 The 6-31G(d,p) basis set  43  was used as an input for further calculations. All the calculations were carried out using the Gaussian 09 package on a personal computer. 44 Energy-minimized structures and frontier molecular orbitals (FMOs) were executed ground state properties processed by density functional theory (DFT) in the gas phase. The excited state properties, such as the percentage of molecular contribution, oscillatory strength, and singlet transition energy, were investigated by employing the time-dependent density functional theory (TD-DFT) in THF. The optimized geometries were used to determine the frontier molecular orbitals (FMOs) and subjected to single-point TD-DFT studies (first 20 vertical singlet-singlet transitions) to obtain the UV-vis spectra of these dyes.
M06-2x function and the solvation of the dyes in tetrahydrofuran were described by the integral equation formalism polarizable continuum model (PCM)  45, 46  within the self-consistent reaction field (SCRF) theory in the TD-DFT calculations. To interpret the nature of electron transitions, foremost portions of the absorption spectra were simulated by GaussSum 2. 2. 5 software. 47, 48 The percentage contribution of individual moieties present in the dyes was calculated using their respective molecular orbitals. and FT-IR spectroscopies (see the Experimental section and Fig.
Acknowledgements We thank the  Department of Science & Technology (DST) , under  DST-CERI  ( DST/TM/CERI/C228 & DST/TMD/CERI D46 ) for the financial support to carry out this work. JVSK acknowledges the  UGC  for research fellowships. I. D. and F. S. thank the  Conseil Regional des Hauts-de-France  for the financial research fellowship support of I. D. We thank the CSIR-IICT director for the support ( IICT/Pubs. /2021/206 ).
1). Thus,  56 Fe<0‰ reflects enrichment in light 54 Fe isotopes, while  56 Fe>0‰ reflects enrichment in heavy 56 Fe isotopes (Eq. 1).  56 Fe = [( 56 Fe/ 54 Fe) sample / 56 Fe/ 54 Fe) IRMM524a -1]*1000 (1) The analytical reproducibility (2SD) calculated on the basis of repeated measurements of the IRMM-524a standard was 0. 07 and 0. 11‰ (N=78) for δ 56 Fe and δ 57 Fe, respectively. In a δ 57 Fe vs. δ 56 Fe diagram, all soil sample measurements plot along a line with a slope which is equal, within analytical error, to the theoretical value of ln(M57/M54)/ln(M56/M54)=1. 48 (e. g. ,  Beard and Johnson, 2004; Craddock and Dauphas, 2011) , indicating mass-dependent fractionation and no influence of isobaric interferences. Data accuracy was monitored by repeated analyses of the rock standards with known Fe isotopic compositions, with each batch of samples.
Box-Behnken design Broadly speaking, the photocatalytic process depends on several operating parameters. For better monitoring the experiments, the photocatalytic reactions were designed on the basis of an experimental approach through the use of the most optimal catalyst. Furthermore, the empirical quadratic polynomial model was used, and all the experimental data were compiled by means of the Box-Behnken design using the Design-Expert Software, Version 12. 0. 3. 0, from Stat-Ease, Inc. It is worth mentioning that the Box-Behnken design is a factorial combination of a minimum of three parameters with incomplete block designs. In each block, one factor is held at the central point, while the others vary according to four different combination values with respect to the upper and lower limits  [34].
Simulation of the reference case The reference case corresponds to the sizing of an experimental EAHE  [7]. The simulation is performed using the OpenModelica software  [26]  and the algorithm applied is the 4 th order Runge-Kutta. The simulation is carried out for a ten minutes time step during a full year and for the French climatic zone H3 (south of France). The reference parameters are listed in Table  1. First, the program collects weather data and input parameters. Then, the four operating modes are considered to determine the temperature of the fresh air insufflated into the building for each case. Thus, the model chooses the operating mode that has the temperature clos-est to the regulation temperature, which reduces auxiliary energy. Finally, energy balances and criteria are computed.
Material Preparation All the saturated acids (purity > 98%) were purchased from the Burgoyne Pvt. Ltd. firm. Primarily, fifty-four ternary blends were prepared i. e. , CA-LA-MA, CA-LA-PA, CA-LA-SA, CA-MA-PA, CA-MA-SA, and CA-PA-SA with different weight compositions (90/5/5, 80/10/10, 70/15/15, 60/20/20, 50/25/25, 40/30/30, 30/35/35, 20/40/40 and 10/45/45). These concoctions were then poured into a flask which was heated to 40 • C and stirred for about one hour for uniform mixing. The sample was then kept at ambient temperature for tender cooling. The thermophysical properties viz. MT and LHF were obtained using DSC analysis. The data relating to the primary investigation has already been published in the recent work of Anand et al. [21]. Based on the primary results, 28 samples were selected for the cycle testing, being those with a sharp MT and enormous LHF value.
The weight average molar mass (Mw) and the dispersity (Đ = Mw/Mn) values of the PMLABe73 were measured by size exclusion chromatography (SEC) in THF at 40 °C (flow rate = 1. 0 mL/min) on a GPC2502 Viscotek apparatus equipped with a Viscotek VE 3580 RI refractive index detector, a Viscotek TGuard guard column, Org 10 mm × 4. 6 mm, an LT5000 L gel column (for samples soluble in organic medium) 300 mm × 7. 8 mm, and GPC/SEC OmniSEC software. The polymer samples were dissolved in THF (2 mg/mL). All elution curves were calibrated with polystyrene standards. PMLABe73 was also characterized by 1 H NMR (400 MHz, Acetone-d6), δ (ppm): 2. 97 (m, 2nH); 5. 14 (m, 1nH); 5. 53 (m, 2nH); 7. 33 (m, 5nH); 8. 04-8. 06 (d, 2H) (Figure  S2 ). SEC (THF, 40°C, polystyrene standards): Mw = 9500 g/mol, Ð = 1. 51 (Figure  S3 ).
The weight average molar mass (Mw) and the dispersity (Ð = Mw/Mn) values of the PMLABe 73 were measured by size exclusion chromatography (SEC) in THF at 40 • C (flow rate = 1. 0 mL/min) on a GPC2502 Viscotek apparatus equipped with a Viscotek VE 3580 RI refractive index detector, a Viscotek TGuard guard column, Org 10 mm × 4. 6 mm, an LT5000 L gel column (for samples soluble in organic medium) 300 mm × 7. 8 mm, and GPC/SEC OmniSEC software. The polymer samples were dissolved in THF (2 mg/mL). All elution curves were calibrated with polystyrene standards. PMLABe 73 was also characterized by 1 H NMR (400 MHz, Acetone-d 6 ), δ (ppm): 2. 97 (m, 2nH); 5. 14 (m, 1nH); 5. 53 (m, 2nH); 7. 33 (m, 5nH); 8. 04-8. 06 (d, 2H) (Figure  S2 ). SEC (THF, 40 • C, polystyrene standards): Mw = 9500 g/mol, Ð = 1.
DNA Extraction, PCR Amplification, Sequencing and Phylogenetic Analysis The genomic DNA was extracted using phenol/chloroform extraction standard method followed by ethanol precipitation  [19]. The 18S rRNA encoding gene of each isolated strain was amplified by PCR using the EukA-EukB primer pair  [20]  according to the procedure reported by Ben Amor et al. [21]. The PCR products obtained were purified from agarose gel using MiniElute Gel Extraction Kit (Qiagen S. A. Courtaboeuf, France) by following the instruction manual. The purified products were sequenced by Sanger sequencing using 3500 Series Genetic Analyzer by Thermo Fisher Scientific, USA. The sequences obtained were compared with the sequences available in GenBank using the BLAST server from the NCBI website (www. ncbi. nlm. nih.
The obtained FAME were analyzed through gas-liquid chromatography in an SPTM 2560 flexible fused silica capillary column (length 100 mm, internal diameter 0. 25 mm, film thickness of 0. 20 mm SUPELCO) in a Hewlett-Packard 5890 gas chromatograph. The oven temperature program was set according to the following. The initial temperature was 140 • C, then it increased at a rate of 3 • C/min to 230 • C, followed by 2 • C/min to reach 240 • C and then it was held there for 12 min. The injector and flame ionization detector were set at 260 • C. Helium was used as the carrier gas at a column pressure of 300 kPa. Peaks were identified by comparing their retention times with appropriate FAME standards from the Sigma Chemical Company (St. Louis, MO, USA). Data for the individual components are expressed as a percentage of total content.
Statistical Analysis Statistical differences between antioxidant assay results were performed by Student's t-test, n = 3, using SPSS 17. 0 software (SPSS, Inc. , Chicago, IL, USA). One-way ANOVA followed by Duncan multiple range tests were used to compare antibacterial activities, cytotoxicity assays, and cadmium removal capacities results. Data were considered significant when at least p was < 0. 05.
Isolation and Identification of the Microalgae Strains Sea water samples were taken from Ksour-Essef (governorate of Mahdia) and two microalgae strains were isolated (MA a1 and MA n1 ). Different selective nutrient media were used; f/2 medium provided the optimal culturing conditions. Using the EukA and EukB universal primer pairs, the amplified products of the 18S rDNA genomic region, of approximately 1. 8 kb for both isolated microalgae strains were sequenced. Based on sequence comparison against DNA sequences already available in GenBank database, the isolated strains, MA a1 and MA n1 , were found to be affiliated to Chlamydomonas and Navicula genus, respectively, with more than 98% similarity. These results demonstrated that MA a1 and MA n1 belong to the Chlorophyceae and Bacillariophyceae classes, respectively.
Correlating compatibility of heterologous enzymes with phylogenetic distance from host ortholog We next sought to explore in detail the factors that determine whether a Fe-S enzyme retains its activity within a heterologous host. We hypothesized that heterologous Fe-S enzymes whose sequences are less similar to the host E. coli ortholog might be less likely to complement growth. To test this hypothesis, we focused on orthologs of NadA and IspG. We first built a protein database that is representative of known prokaryotic diversity, comprising 248 prokaryotic (Archaea and Bacteria) proteomes corresponding to 48 phyla, 96 classes, and 218 orders (Table  S2 ). This database contains 65 proteomes that were used for preliminary screen. We identified 192 and 196 orthologs of NadA and IspG, respectively (Table  S3 ), which were used to infer a Maximum Likelihood phylogeny (Figure  2A, D ).
Next, we used a clustering approach based on phylogenetic distances to select representative sequences to be experimentally tested, which yielded 47 sequences for NadA and IspG each (Tables  S3, S4 ). The distribution of patristic distances of the selected orthologs from the E. coli NadA and IspG sequences closely matched with the patristic distance distribution obtained from all enzyme homologs, indicating that the selected orthologs are representative of the entire database of known orthologs (Figure  2B, E ). Furthermore, a a two-sided Wilcoxon test between full and sampled distances from E. coli rejected the hypothesis of significant differences between the selected set of orthologs (47 both)  Sequences from our 47 phylogenetically-representative sets of IspG and NadA were each then codon-optimized for expression in E.
Selection of sequences and bioinformatics analysis Orthologs of IspG, NadA, BioB, and ThiC selected in the preliminary screen were found in a variety of sequenced prokaryotic genomes using homology searches guided by E. coli sequences. To assemble the phylogenetically-representative distribution of NadA and IspG orthologs that was assembled following the preliminary screen, a systematic approach was used. First, a protein database was built from 248 representative prokaryotic proteomes (Table  S2 ) (including 65 proteomes that were used for preliminary screen) gathered from NCBI FTP (ftp://ftp. ncbi. nlm. nih. gov/genomes/all), selecting around one genome per order (27 Archaea and 221 Bacteria) by using NCBI taxonomy and privileging complete proteomes. Homologues of NadA and IspG were first identified by BLASTp v2.
8. 1+  32  , using E. coli sequences as seeds (AAC73837. 1 and AAC75568. 1, respectively). Sequences associated to an E-value lower than 10 -4 were aligned with MAFFT v7. 419  33  and used to build HMM profiles using hmmbuild from the HMMER v3. 2. 1 package  34. These HMM profiles were then used to request the database using hmmsearch, and the sequences presenting an E-value lower than 10 -2 were retrieved and aligned. Alignments were manually curated using Aliview v1. 25  35  and trimmed using BMGE v1. 1  36  with the substitution matrix BLOSUM30. The best suited model for each alignment was selected using ModelFinder implemented in IQ-TREE v1. 6. 10 37 , according to the Bayesian Information Criteria (BIC) (LG+I+G4 for both NadA and IspG). Maximum Likelihood trees were inferred using PhyML v3.
1  38  and 100 bootstrap replicates performed to assess the robustness of the branches by using the transfer bootstrap value using BOOSTER v1. 0  39. For both NadA and IspG, the number of copies per genome was in the extreme majority equal to one. All homologues are thus considered as orthologues. In order to select representative NadA and IspG sequences to be experimentally tested, the ML trees were split into clusters using TreeCluster v1. 0 40 with a threshold of 1. 75, leading to 15 sequence clusters for NadA and 17 for IspG. Then, each cluster was further split into subclusters using hierarchical clustering implemented in scipy. cluster. hierarchy python library  41. The number of sub-clusters for each cluster was set to 20% of the sequences within each cluster. One sequence per sub-cluster was finally selected, privileging reference strains and already tested sequences, leading to 47 sequences for NadA and 47 for IspG.
The representativeness was checked by comparing the shape of distribution of patristic distances between the entire NadA and IspG trees and the selected sequences. The correlation between complementation data and phylogenetic distance was calculated by the correlation ratio η 2. Data for phylogenetic analysis (containing protein database of the 248 prokaryotes, NadA/ IspG alignments and phylogenies and python script used to select sequences by clustering approach) is available at figshare. com/articles/dataset/Dangelo_et_al_Supplementary_data_zip/13664927.
Fragments were acquired at 17K resolution with a max IT of 75 ms and an AGC target of 2e5. Singly charged, 6x and higher charged mass peaks were excluded from selection. Data were acquired from 0 to 60 min. Database search. Data were analysed against the proteome database from E. coli K-12 (UniprotKB, TaxID 83333), including amino acid sequences for heterologous orthologs, using PEAKS Studio 10. 0 (Bioinformatics Solutions Inc) allowing for 20 ppm parent ion and 0. 02m/z fragment ion mass error, 2 missed cleavages, carbamidomethylation as fixed and methionine oxidation and N/Q deamidation as variable modifications. Peptide spectrum matches were filtered against 1% false discovery rate (FDR) and protein identifications with ≥ 2 unique peptides were accepted as significant.