dataesr/scientific-paragraphs-categorization huggingface dataset:
68 IC 50 values were calculated using the ICEstimator version 1. 2 software (http:// www. antimalarial-icestimator. net/runregression1. 2. htm). Miltefosine was used as the reference drug. In Vitro Antileishmanial Evaluation on Intramacrophage Amastigotes. Determination of cytotoxicity, as presented above, was used to select the highest drug concentrations that could be studied on the L. donovani intramacrophage amastigote model using RAW 264. 7 cells. Macrophages were infected with L. donovani axenic amastigotes according to a ratio of 10 parasites per macrophage. In these conditions, the percentage of infected macrophages was around 80%, and the mean number of amastigotes per infected macrophage was 4 to 5 in the untreated controls. The in vitro treatment was applied 24 h post-infection, and the treatment duration was 48 h.
■ ACKNOWLEDGMENTS The authors gratefully acknowledge the  Centre National de la Recherche Scientifique (CNRS)  and the  Université Paul Sabatier  for financial support. We (C. L. K. , M. N. , F. B. V. , A. R. , and M. B. ) also thank the  Institut National de la Santé et de la Recherche Médicale (Inserm)  and the  Fondation pour la Recherche Médicale , FRM ≪ E ́quipe EQU202103012596 ≫, for financial support. C. L. K. thanks the  French Ministry of Research  and the  Université Paul Sabatier  for a PhD fellowship. This work was also supported by the  Paris Saclay University  (S. G. and P. L. ), by the  Estonian Research Council  ( PRG1509 ) (A. T. G. S. ), and by the  Italian Ministry of Education, University and Research (MIUR)  ( Dipartimenti di Eccellenza ,  Program 2018-2022 ), to the  Department of Biology and Biotechnology, "L.
RAD-seq library construction and SNP calling After extracting DNA of 31 accessions based on the modified CTAB method, we used the QIAGEN kit (DNeasy Blood & Tissue Kit; Qiagen, https://www. qiagen. com/, Hilden, Germany) to perform the DNA purification and ensure DNA quality. These samples were then used to make two RAD-seq libraries from 16 and 15 accessions, respectively, following the published protocol  25  , using PstI as the digestion enzyme. Next-generation sequencing of each library was carried out in the Genome Research Center of Yang-Ming University using the Illumina Hiseq 2500 platform (Illumina Inc. , https://www. illumina. com, CA, USA) with 100 bp single-end reads in two lanes. The sequencing data have been deposited at National Center for Biotechnology Information (NCBI) under BioProject PRJNA811600.
For SNP calling, single-end reads were first debarcoded by Stacks using the program "process_radtags"  26. Then, we used Burrows-Wheeler Alignment (BWA) v0. 7. 17-r1188 "aln" to align the reads of each accession onto the reference genome of cultivated peanut and its diploid ancestors for identifying SNPs used in the genetic diversity analysis and the development of KASP markers, respectively  6, 14, 27. When the genome of cultivated peanut was published  14  , all of the KASP markers used in this study had already been designed using the merged genomes of two diploid ancestors of cultivated peanut  6. Thus, identified SNPs based on the genome of cultivated peanut were only used for the in-silico analyses that investigated the genetic diversity of the 31 accessions, but in all cases the SNP calling pipeline was the same.
After the alignment was finished, Samtools and BCFtools were utilized for SNP calling and filtering, SNPs were kept with (1) base quality ≥ 20, (2) mapping quality score ≥ 20, and (3) depth ≥ 3. Then, a customized R script was used to create Variant Call Format (VCF) files encompassing qualified SNPs that discriminated the 31 accessions  28.
thermofisher. com, DE, USA), and each 10-μL reaction consisted of 12. 5 ng of DNA, 0. 14 μL of KASP assay mix and 5 μL of KASP Master Mix (2X). The PCR protocol was carried out as follows: (1) pre-read stage at 30℃ for 1 minute, (2) hold stage at 94℃ for 15 minutes, (3) PCR stage 1 of 10 touchdown cycles using 94℃ for 20 seconds and 61℃ (decreasing 0. 6℃ per cycle) for 1 minute, (4) PCR stage 2 with 26 amplification cycles at 94℃ for 20 seconds and 55℃ for 1 minute, and (5) post-read stage at 30℃ for 1 minute. When the PCRs were completed, the fluorescent signals of samples were analyzed by the StepOne TM software for determining genotypes.
Statistical analysis All statistical analyses were carried out in R 3. 63. The PIC value and the expected heterozygosity (He) were determined for each SNP marker  29, 30. Principal component analysis (PCA) using phenotypic data was performed by the "PCA" function in the "FactoMineR" package  31. In the "poppr" package, the "bitwise. dist" function was used to calculate the genetic distances between the 31 accessions, distances that depend on the fraction of loci which differ between germplasm  32, 33  , and the "aboot" function was utilized to construct the dendrograms based on the unweighted pair group method with arithmetic mean (UPGMA) with 1000 bootstraps. In the "adegenet" package, PCA for SNP data from 31 accessions was carried out by the "glPCA" function, and population structure of 282 accessions was addressed by successive K-mean clustering and discriminant analysis of principal components (DAPC) using the "find.
This result of a fourth cluster not corresponding to subspecies or market types was also reported in other works  12, 39  , and it may result from phenotyping difficulties  43, 44. In both sets, containing respectively 31 and 282 accessions, PCA was used to compare the effectiveness of molecular markers and phenotypic data to cluster samples, and it was demonstrated that PCA based on molecular markers provides more reproducible and satisfactory results than PCA based on phenotypic data (Fig. 2 , Fig. 4 , Supplementary Fig. S1 ). Overall, the genetic diversity and relationship among germplasm in Taiwan was revealed by SNPs identified through the RAD-approach. Our analyses suggest that one should broaden genetic diversity by introducing novel germplasm to prevent genetic vulnerability. In addition, the KASP markers successfully developed here should be a useful tool for identifying the population structure of peanut germplasm collections or for conducting other genetic studies related or not to breeding.
Data Availability The sequencing data of 31 accessions produced in this study have been deposited at the NCBI BioProject PRJNA811600 (reviewer link https://dataview. ncbi. nlm. nih. gov/object/PRJNA811600?reviewer=9s5mq14ot qrpnlq1f8amotftlu). All the codes related to this project are available in the github site https://github. com/ymhsu/ahdivertwn.
General procedures The syntheses and decomposition of the precursors were carried out under argon using Schlenk tube and vacuum line techniques. Solvents were purified on an MB SPS-800 instrument. The starting reactants [Ba(TFA) 2 ] and [Ln(TFA) 3 (H 2 O) 3 ] (Ln ¼ Y, Tm, Yb) were prepared following the procedures described in the literature  [15, 33]. Trifluoroacetic acid (TFAH) and DMSO (both Aldrich) were stored over molecular sieves, whereas 1-octadecene and oleic acid (both Aldrich) were used as received. FT-IR spectra of the new anhydrous precursors (as Nujol mulls) and nanocrystals (as KBr pallets) were recorded on a Bruker Vector 22 spectrometer. 1 H NMR spectra were recorded in CDCl 3 on a Bruker AC-300 spectrometer. The TG-DTA data of 1 and 2 were collected in argon atmosphere (flow rate 50 cm 3 /min, thermal ramp 5 C/min, temperature range 20-600 C) using a SETSYS Evolution-12 thermal analyzer.
Powder X-ray diffraction data were obtained with a Siemens D 5000 diffractometer using CuKα radiation. Transmission electron microscopy (TEM) was performed on a JEOL JEM-2100 LaB6 microscope operated at 200 kV. Upconverting studies were made on a homemade spectrofluorimeter. The samples were irradiated with a continuous wave (CW) laser at 973 nm which was focused to a square spot of 1 Â 1 mm 2 on the sample with a quasi-top-hat energy distribution. All the measurements were performed under similar conditions at variable excitation power density. The intensities of excitation were varied using different optical density filters. The emitted signal was then collected using Jobin-Yvon (TRIAX 320) monochromater equipped with automatic order removing filters and coupled to a cooled photomultiplier (Hamamatsu R943-02).
X-ray crystallography Suitable crystals of 1 and 2 were obtained as described in the experimental section. Crystals structure were determined an Xcalibur Gemini kappa-geometry diffractometer equipped with an Atlas CCD and a Molybdenum X-ray source (l ¼ 0. 71073 Å). Intensities were collected by means of the CrysalisPro software  [44]. Reflection indexing, unit-cell parameters refinement, Lorentz-polarization correction, peak integration and background determination were carried out with the CrysalisPro software  [44]. An analytical absorption correction was applied using the modeled faces of the crystal  [45]. The resulting set of hkl was used for structure solution and refinement. The structures were solved with the ShelXT  [46]  structure solution program using the intrinsic phasing solution method and by using Olex2  [47]  as the graphical interface.
Gray, green and blue lines correspond to the free-energy of a supersaturated solution, a bulk metastable (M) and a bulk equilibrium phase (S), respectively. (B) The multi-stage crystallization pathway. Adapted with permission of Springer Nature from ref. 45. manganese oxides. The authors used tabulated thermochemical data concerning the known bulk phases and used density functional theory calculations to evaluate the energetics of bulk phases missing in the databases as well as surface energies (Fig. 6B-D ). 45, 59 In order to account for metastable phases and size-dependency, the authors proposed to add a free energy axis to Pourbaix diagrams in the form of a grand potential named the Pourbaix grand potential (Fig. 6C  and D ). 45, 59 This representation enables stable as well as metastable phases to be highlighted.
As a result, the char surfaces became enriched with phosphorus, providing heat insulation and promoting catalytic reactions to enhance the fire resistance of PS. The increased phosphorus contents in the residual chars obtained from the modified polymers were also confirmed by the ICP-OES technique. The average values of char yields, P contents in chars and the percentage of actual P retentions are summarized in Table  3. The P contents in the studied polymers, calculated from solution-state 1 H NMR spectral data  [8] , are also provided in Table  3. The actual retention of P in chars could indicate the extent of the condensed-phase activity of the modifying groups. The results clearly demonstrate that the char residues contained higher amounts of phospho- The increased phosphorus contents in the residual chars obtained from the modified polymers were also confirmed by the ICP-OES technique.
The analysis was carried out with a 4 mm probe head with 1H decoupling (DD). Phosphoric acid was used as an external calibrant. Each spectrum was recorded at MAS with a spinning frequency of 12. 5 kHz. All spectra were acquired as a result of 16 scans and were processed using Mnova NMR software. The Scanning Electron Microscopy (SEM) with Energy Dispersive Spectroscopy (EDS) provision (ThermoScientific, Phenom XL, Melbourne, Australia) was used to obtain the elemental compositions of the char residues, including a control sample from charring of polystyrene, prepared through a solution route in the laboratory at Victoria University. The samples were sputtered with gold (by using a Quorum setup) before mounting them onto the instrument. The images were subjected to the EDS analyses at different points.
6 eV, 650 µm spot size) and the photoelectrons were collected using a 180 • double-focusing hemispherical analyzer with a dual detector system. Data analysis and fitting were performed with Thermo Avantage software. The charring of polymers for Inductively-Coupled Plasma/Optical Emission Spectroscopy (ICP/OES) was carried out by placing into a muffle furnace (ThermoScientific, Thermolyne, Melbourne, Australia) the accurately weighed amounts of each sample inside a porcelain crucible. The temperature of the furnace was slowly ramped from 25 • C to 450 • C (in ca. 20 min) and was kept for about ca. 15 min. The furnace was then allowed to cool to the ambient temperature, and the crucibles along with their contents were accurately weighed again. The tested samples were first accurately weighed (ca.
Fitting procedure of the Raman spectra We used commercial software ®LabSpec 5. 64. 15 and ®OriginPro9 to determine peak position, intensity, area, and shape factor for each component in the liquid phase. After baseline subtraction, the decomposition was made using a pseudo-Voigt function (a linear combination of Gaussian and Lorentzian functions). Dissolved W species have Raman bands localized in the 860-1010 cm -1 wavenumbers region. The wavenumbers were constrained before the fitting calculation at the maximum intensity of the different band components of the W species in the 860-1010 cm -1 region. After baseline correction, each Raman peak was integrated (Ai) and normalized to the area of the O-H bending band of water (AH2O) between 1450 and 1850 cm -1. Fig. 1  displays typical raw Raman spectra of W-bearing solutions obtained at T ranging from 25 to 400 °C.
Effect of carbonate and chloride ligands The effect of carbonate on W-speciation was studied using three contrasting carbonate-bearing systems, where either CO2(aq) (solution #12, pH25°C = 7. 2), HCO3 -(solution #11, pH25°C = 8. 3), or CO3 2-(solution #13, pH25°C = 11. 9) were the dominant dissolved carbonate species. At room T, the in-situ pH value of the W-bearing solution (0. 1 m Na2WO4) in equilibrium with 0. 15 bar CO2(g) was estimated using HCh software package  (Shvarov, 2015) , based on the relative abundance of HCO3 -and CO2(aq). The Raman spectra shown in Fig. 6  are strictly identical to those obtained under similar pH and T conditions without carbonate (see Fig. 3 ). Thus, the presence of dissolved carbonate in a substantial amount (> 0. 1 m) has no effect on W speciation over the 6 < pH < 12 and 25 ≤ T ≤ 400 °C ranges.
15 to 0. 2 mol. L -1 over the 25 -400 °C T range. The solution pH was measured at room temperature and then calculated at elevated temperature using the the HCh software package  (Shvarov, 2008). This approach is relatively safe under extreme pH conditions (pH < 3 or pH >10) or in the presence of concentrated pH buffers (acetic acid, formic acid, carbonate/bicarbonate solutions) because the evolving tungsten speciation weakly impacts H + activity. However, for a small number of solutions (e. g. sol. #2, #2. 2 and #5) where the circum-neutral pH conditions measured at ambient conditions were not buffered, our calculations were made for the indicative purpose as there is no thermodynamic data available a priori for the observed complex at elevated temperature. The resulting tungsten speciation as a function of pH is shown in Fig.
Thermodynamic calculations Raman spectroscopy data on W speciation obtained in this study were used to calculate the stability constants of W polymers. The following reactions describe their formation from WO4 2-: 7𝑊𝑂 4 2-+ 8𝐻 + = 𝑊 7 𝑂 24 6-+ 4𝐻 2 𝑂 (1) 10𝑊𝑂 4 2-+ 16𝐻 + = 𝑊 10 𝑂 32 4- (2) 12𝑊𝑂 4 2-+ 18𝐻 + = 𝐻 2 𝑊 12 𝑂 40 6-+ 8𝐻 2 𝑂 (3) Besides, the following pH-independent reactions can be written: 4𝑊𝑂 4 2-+ The most important W polymers (~50% of dissolved W) coexisting with high amounts of WO4 2-(~50% of dissolved W) under our experimental conditions are [W7O24] 6-at 25 -100 °C and α-[H2W12O40] 6-at 200 -300 °C. The experimentally determined concentrations (in mol kgH2O -1 ) of these polymers and WO4 2-together with the corresponding estimated pH values were used to calculate the apparent constants for the reactions 1 and 3 according to: 𝑙𝑜𝑔 10 𝐾 𝑚 (1) = 𝑙𝑜𝑔 𝑚(𝑊 7 𝑂 24 6-) [𝑚(𝑊𝑂 4 2-)] 7 + 8𝑝𝐻 (6) 𝑙𝑜𝑔 10 𝐾 𝑚 (3) = 𝑙𝑜𝑔 𝑚(𝐻 2 𝑊 12 𝑂 40 6-) [𝑚(𝑊𝑂 4 2-)] 12 + 18𝑝𝐻 (7) At 25°C and pH above 6.
Acknowledgements We warmly acknowledge Associate editor  Pr Jean François Boily  for his work and the three anonymous reviewers for their very constructive reviews. We are grateful to  Maria A. Kokh  for her insightful discussion and precious advice along the course of this study. The authors also acknowledge  Mr. Christopher Daly  for the English verification. Pascal Robert  and  Aurélien Randi  are warmly thanked for their help with the experimental setup. Guillaume Barre  and  Julien Boulliung  are thanked for sharing their experiences and valuable suggestions on capillary loading techniques. Laurent Truche acknowledges support from the  Institut Universitaire de France. This work was funded by the  ERAMIN  project  NewOres funded by ANR  ( ANR-14-EMIN-0001 ), and  Labex Ressources 21  (supported by the  French National Research Agency  through the  national program  " Investissements d'avenir ") with reference  ANR -10 -LABX 21 -LABEX RESSOURCES 21.
499 METHODOLOGY SOURCES Beuchat et al. , 2004 Naumov et al. , 2011 Hulbosch et al. , 2016 Fusswinkel et al. , 2017 Zhang et al. , 2017 Korges et al. , 2018 Guo et al W concentrations from literature. , 2019 LA-ICP-MS and Microthermometric FI Wfm-Qtz-Py Stage 100 < ppm < 10000 studies Database Review Magmatic Melts Mineral-Forming Fluids 6. 8 ppm (+81 ppm/-6. 2 ppm) 30 ppm (+114 ppm/-25 ppm) RAMAN on FI Studies Ms associate with Sch and Frb Tur associate with pegmatite 3 < ppm < 1310 LA-ICP-MS in FIA Early Qtz vein 0. 03 < µg/g < 9. 9 LA-ICP-MS in FIA Late Extensional vein 8. 24< µg/g <23 LA-ICP-MS Two-mica granite 50 < ppm < 70 LA-ICP-MS in FIA Wmf-Cst-Qtz 10 < ppm < 10000 ICP-MS in Active Water samples 0. 05 < µg/L < 1103 Hydrothermal System Sediments nearby the vents 6. 49 < ppm < 536 Abbreviations Legend Sch = scheelite Frb = ferbrerite Tur = tourmaline Wfm = wolframite Qtz = quartz Py = pyrite Cst = cassiterite FIA = fluid inclusion assemblage.
54184 Å Cu-Ka radiation. Phase determination was achieved by reference to patterns published in the scientific literature  (Collotti et al. , 1959; Smith and Alexander, 1963; Zigan and Rothbauer, 1967; Moore and Taylor, 1970; Sasaki et al. , 1979; Winter et al. , 1979; Effenberger et al. , 1981; Angel, 1988; Sacerdoti and Passaglia, 1988; Hillier et al. , 2003; Lenaz et al. , 2004; Redhammer et al. , 2004). The database Mincryst  (Chichagov, 1989 ) was also used. The above references were selected because the crystallographic information indicated mineral precipitation conditions close to the ones in our material. Quantitative phase analysis was carried out on Jana2006 software  (Petricek et al. , 2015). For the simulated patterns, we took into account the dominant mineral phases present: ettringite, hydrocalumite, hydrogarnet, quartz, calcite and brucite.
Acknowledgement. The  French directorate for road infrastructure in the north of France (DIR-Nord ) and the  French national agency  for environment and energy management (ADEME) are acknowledged for funding this research work. Romain Abraham ,  Marion Delattre  and  Philippe Recourt  ( LOG, University of Lille ) are thanked for their every day presence and help in the laboratory. We greatly thank  Alizée Lehoux  who did the first steps in studying the chromite ore-processing residue in our group.
Once analysis is complete, the Nb/Pt capsules or Nb foils are retrieved from the ultravacuum chamber for wet chemistry digestion and determination of U, Th and Sm (if possible) concentrations using inductively coupled plasma mass spectrometry  [79]. U-Th and Sm contents can also be determined in situ using LA-ICP-MS analysis  [78] , allowing additional analyses of, for example, U-Pb and Hf isotopic compositions or rareearth element abundances to be performed on the same crystals (e. g. ,  [80, 81] ). As Sm is a minor contributor to the alpha particle (alternatively He) production budget, its content is not often determined for U-Th-rich mineral phases. Replicate analysis of standard mineral materials is performed during the analytical batch to ensure the data quality and to estimate analytical uncertainties.
Subtleties of Thermochronological Ages and Interpretation (U-Th)/He data carry information on the thermal history of a sample and should be interpreted in light of current thermochronological models, especially that of He diffusion behavior in the analyzed mineral phases. Investigation of the dependencies of (U-Th)/He dates with the eU concentration, crystal diffusional volume (R s ) and Th/U ratio should be performed first and routinely. Alpha dose calculation is an option that allows the observation of possible date evolution for different samples, providing that the time period for damage accumulation is known. These pieces of information are useful to identify date evolution patterns (e. g. , date-dose or date-eU correlations) that help model the thermal history of the sample. Thereafter, date investigation should be continued through thermal history modeling of data using 2D modeling software such as HeFTy  [97]  and QTQt  [98] , or a 3D thermokinematic approach (PECUBE  [99] ).
Ternois et al. [8]  provided a detailed bedrock, single-grain ZHe and AHe dataset from a crustal block from the Agly-Salvezines Massif (eastern Pyrenees, France) that is believed to have occupied the distal end of the European rifted margin. AHe dates of this dataset fall into the range of previously published bedrock AFT dates for the block  [102, 103] , indicating fairly rapid cooling below temperatures of 110-45 • C during the early-middle Eocene. In contrast, the ZHe dataset shows a high degree of date variability (~57 to 117 Ma), with significant intrasample variation (~19 to ~93%), as presented in Figure  7. All ZHe dates are older than AHe  [101]  and AFT dates  [102, 103] , and the oldest ZHe dates overlap with bedrock apatite U/Pb dates  [101]. As highlighted by Ternois et al. [8] , ZHe dates thus span within error the time interval between the onset of rifting and associated thermal events (∼117-114 Ma, e.
HP Ophiolite Thermal History Retrieved from MgHe Data Thermal Inversion As shown in Section 3. 1. , mountain range evolution can be quantified using thermochronometers of different thermal sensitivities. However, most of the thermochronometric applications are possible thanks to the presence of apatite-, zircon-and titanite-rich rocks such as felsic rocks. With the development of magnetite, spinel and perovskite (U-Th)/He methods, the world of mafic and ultramafic rock exhumation history is opened  [23] [24] [25] [26]. Schwartz et al. [25]  presented a case study that revealed the thermal history of rocks through the use of MgHe dating from the high-pressure/low-temperature (HP-LT) Rocher Blanc ophiolite, embedded in deformed sedimentary units of the Schistes Lustrés (Western Alps, France).
(B) Thermochronological data inversion modeling of the HP-LT Rocher Blanc ophiolite using the AFT and ZFT data only or AFT, ZFT and MgHe data. Note that the axes are inverted from the typical T-t diagram. Adapted from  [25]. Petrological investigation of the Rocher Blanc ophiolite revealed that magnetite crystalized during retrograde metamorphism (Figure  8A ). The obtained MgHe ages on euhedral magnetite crystals range from 14 to 20 Ma (Figure  6 ), within the range of ZFT and AFT ages, which is in agreement with the known closure temperature of the different thermochronometers  [25]. These results demonstrate that magnetite recorded the cooling history during retrograde metamorphism. Inversion of the MgHe data, along with the AFT and ZFT data, allowed the authors to better constrain the time-temperature paths of the cooling trajectory, as shown in Fig-  ure 8B.