dataesr/scientific-paragraphs-categorization huggingface dataset:
Funding The author(s) disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: Miss Mahsa NOURI BARKESTANI was supported by a grant from SivanCell Company with the grant number: SC_FR-010919. Dr Sina NASERIAN was supported by a governmental grant via ''l'Agence Nationale de la Recherche'' in the form of ''programme d'Investissements d'avenir'' with the grant number: ANR_15-RHUS60002. Dr Sara Shamdani was supported by a grant via "la Fondation de la Maison de la Chimie" for the project R20150LL with the grant number: RAK20150LLA.
Imahori et al. [41] reported a method for the quantitative measurement of boronated drug uptake in patients with high-grade gliomas, based on the use of [ 18 F]FBPA. A threecompartment model was used to analyze PET data and to assess the tumor pharmacokinetics. The boron concentration in the tumor calculated with the model was close to the concentration measured in surgical samples. Agreement in pharmacokinetics between L- BPA and the labeled analog was assessed using a segmental folding method. The authors concluded that the estimated values of the 10 B concentration of BPA could be calculated from a four-rate constant model applied to a dynamic study by PET using [ 18 F]FBPA as a tracer. With this approach, the 10 B concentration was assessed prior to neutron irradiation of patients to be treated with BNCT after BPA administration.
Imahori et al. [41] reported a method for the quantitative measurement of boronated drug uptake in patients with high-grade gliomas, based on the use of [ 18 F]FBPA. A threecompartment model was used to analyze PET data and to assess the tumor pharmacokinetics. The boron concentration in the tumor calculated with the model was close to the concentration measured in surgical samples. Agreement in pharmacokinetics between L-BPA and the labeled analog was assessed using a segmental folding method. The authors concluded that the estimated values of the 10 B concentration of BPA could be calculated from a four-rate constant model applied to a dynamic study by PET using [ 18 F]FBPA as a tracer. With this approach, the 10 B concentration was assessed prior to neutron irradiation of patients to be treated with BNCT after BPA administration.
Acknowledgements The authors kindly thank  Bijal K. Bahuleyan  ( Univ. Rheims) Paul van der Ven (RU) ,  Geert-Jan Janssen (RU)  and the  General Instruments Department (RU) ,  Peter van Dijk (RU) ,  Daniela Wilson  (RU),  Eric van Dinther (Radboudumc) ,  Oya Tagit (Radboudumc) ,  Massis Krekorian  (Radboudumc),  I. Jolanda M. de Vries  (Radboudumc) and  Carl G. Figdor  (Radboudumc).
The first layer is built as continuous bulk Ag, with void   100 ) wafer (original data). Scale bar = 200 nm. (b) Grazing-incidence X-ray diffraction taken on the Ag NP film. The reflections ascribed to polycrystalline Ag are reported together with the fit used to estimate the average grain size of the NPs. Adapted from the supporting information of  [37]  with permission. The porosity of ultrathin nanogranular film deposited by SCBD can be obtained, in the first instance, by comparing the measured deposited mass from a quartz microbalance with the actual deposited thickness. A more refined method involves cross-analyzing Rutherford backscattering and X-ray photoemission spectroscopy (XPS) data  [7, 74]. This is achieved by comparing the number of atoms per unit area with the stoichiometry obtained by core level analysis.
Chemical State The SCBD synthesis technique produces a beam of NPs constituting, upon landing on a supporting substrate, a porous film. The question arises whether the Ag NPs, once the film is formed, form a metallic film independently on the substrate type. This is a key question, as the mechanics resulting from a metal or an oxide sample are potentially quite different. To answer this question, a set of X-ray photoemission spectroscopy (XPS) data, obtained from Ag NP films of 6 to 10 nm in thickness deposited on different substrates, are reported in Figure  7  for the Ag 3d core level and the Ag MVV Auger emission line. For a direct comparison with the behavior of a metallic system, we also reported the data taken on a sputtered-clean Ag polycrystalline substrate (black curves  [37] ). The main Ag peak binding energy in the different spectra (368.
ACKNOWLEDGMENTS This work has been carried out within the framework of the  EUROfusion consortium  and has received funding from the  Euratom  research and training programme 2014-2018 and  2019-2020  under grant agreement No  633053. The views and opinions expressed herein do not necessarily reflect those of the  European Commission. This work is part of the  Eurofusion Enabling Research  project  ENR-MFE19. CEA-06 Emissive divertor ; SL and RL acknowledge partial support from project  MIUR-PRIN2017  Coarse-grained description for non-equilibrium systems and transport phenomena ( CO-NEST ) n. 201798CZL.
The obtained XRD pattern was refined by the Rietveld method using Fullprof software (Version 2. 0, Saclay, France). X-ray photoelectron spectroscopy (XPS) was carried out on a XPS PHI 5000 VersaProbe with a monochromatized Al Kα1 source (1486. 7 eV). All the binding energies were calibrated from the C 1s of the adventitious carbon peak at 284. 8 eV. Casa XPS software (Version 2. 3. 23, Teignmouth, UK) was used for data processing.
Acknowledgements We thank  JSPS Kakenhi  (Nos. 19K15528 ,  20H02719 ,  20K21184 ). Financial supports from The  Hattori Hokokai Foundation ,  Toyota Riken Scholar and The NOVARTIS Foundation (Japan)  are gratefully acknowledged. This work is supported by  "Five-star Alliance" in "NJRC Mater. Dev. " MEXT. Keywords: Crystal engineering• Selenium• Cocrystallization • Isomer separation• Self-sorting.
General Methods Basic chemicals and solvents were purchased from commercial sources and were used without further purification. The 1 H NMR spectra were acquired on Bruker Fourier 300 or 600 spectrometers equipped with a 1 H 5 mm probe and referenced to the solvent residual peaks (CD 3 CN/D 2 O, DMSO-d 6 ). NMR solvents were purchased from Deutero GmbH (Kastellaun, Germany) and used as received. The ESI-MS spectra were recorded on a Bruker Impact HD Q-TOF spectrometer in the positive ion mode. Powder X-ray diffraction patterns (PXRD) were recorded on a BRUKER D8-Focus Bragg-Brentano X-ray powder diffractometer equipped with a Cu sealed tube (λ = 1. 54178 Å) at room temperature. Experimental and calculated powder patterns from the crystal structures were analyzed using the Kdif software  [47].
Details of the Crystal Structure Solution and Refinement Single-crystal diffraction data for the [Ag 2 L 2 ](SbF 6 ) 2 were collected on a Rigaku XtaLAB Synergy-R diffractometer with a rotating anode using a CuK α radiation source (λ = 1. 54184 Å). The low temperature was achieved using the Cryostream cooling system. Data collection and data reduction were performed using the CrysAlis PRO software  [48]. The structure was solved and refined using SHELXT-2015 (intrinsic phasing method) and SHELXL-2015 (least-squares method), respectively  [49, 50]. Olex2 provided the support for the full structural analysis of the complex  [51]. A twin matrix -1 0 0 0 -1 0 0. 973 0 1, which corresponds to a 180 • rotation about the [001] reciprocal lattice direction, was also determined using the Olex2 software.
The magnetic moment m i induced on an atom i by an applied magnetic field H can indeed be written as the product: m i = ↔ χ i H (5) where ↔ χ i is the magnetic susceptibility tensor of atom i. It is a second rank tensor, symmetric across the diagonal, thus having only six independent components  [31] : ↔ χ i (i, j, k) =   χ 11 χ 12 χ 13 χ 12 χ 22 χ 23 χ 13 χ 23 χ 33   in µ B T -1 (i, j, k) cartesian system with : i a * , k c and j = k ∧ i. (6)  The experimental flipping ratios contain all information on both the orientation and the magnitude of the atomic magnetic moments throughout the unit cell and can be expressed in terms of these susceptibility components through the magnetic structure factor F M by combining Equations (3) and (  5 ). The refinement of the six susceptibility components χ ij from the experimental flipping ratios is realized using the least-squares refinement program CHILSQ developed in the frame of the CCSL library  [32]  The number of independent tensor components, to be refined, is determined by the local symmetry of the magnetic atom site.
  µ B T -1 (i, j, k) // (a * , b, c) (14)   Three orthogonal sets of flipping ratios were collected under moderate magnetic fields on quite a small single crystal (1. 5 mm 3 ). All three eigenvalues are positive (χ 1 = 2. 454(1), χ 2 = 0. 2992(2) and χ 3 = 0. 007(2) µ B T -1 ). As pictured in Figure  6c  the molecular easy axis χ 1 is found close to the a-crystallographic axis, while the hard axes χ 2 and χ 3 are found near the c and b crystallographic axes. ↔ χ crystal (i, j, k) = 1 4 sym ∑ l=1,4 ↔ χ l Yb (15) The crystal susceptibility tensor is in compliance with the single crystal SQUID data. Small mismatches between PND and SQUID data are ascribed to a slight misorientation of the single crystal. Thus, compound (5) presents a strong magnetic anisotropy, which is nearly uniaxial. It may be noted that the orientation of the easy axis appears roughly coplanar with the nitrate moiety.
Noticeably, the hard magnetic axes of the both pairs are perpendicular to each other, in agreement with the local directions of tetragonal distortion. The cluster experimental local susceptibility tensor (Equation (  21 )) at 10 K obtained from the PND data analysis was used to calculate the bulk magnetization induced by a magnetic field, applied in any direction of space, for a more direct comparison with the angular-resolved measurements. Taking into account the symmetry operations of the P2 1 /c space group, the crystal susceptibility tensor can be deduced from Equations (  20 ) and  (21) , which leads to the bulk susceptibility tensor: ↔ χ bulk = 1 4 ↔ χ crystal =   1. 9(2) 0 0 0 2. 3(1) 0 0 0 1. 0(1)   in µ B T -1 , ( 24 ) This tensor is diagonal in the ( c axes, which fully agrees with the SQUID data analysis.
Simulation of the single crystal SQUID data (ARM) using the cluster susceptibility tensor from PND gave a very good agreement on the locations and magnitudes of the extrema of the ARM curve but with discrepancy between the direction found by SQUID and those from PND. Once again, this illustrates that the orientations are rather ill defined with SQUID measurement on single crystals. These results show that the strength of the local magnetic anisotropy is clearly related to the local geometry of the Ni coordination octahedron. They confirm that the orientation of the hard axes of the Ni(II) ions is governed by the tetragonal elongation along the O-Ni-O direction involving the coordinated methanol and the bridging alkoxide. However, the single ion magnetic anisotropy is not only stemming from this axial distortion, but also originates from the deformation in the equatorial directions of the coordination octahedron, as shown by the strongest axial anisotropy of the AF pair which displays the weakest axial elongation but largest equatorial distortion.
33 ± 0. 03 min -1 in CTR and 0. 30 ± 0. 03 min -1 in APP/PS1dE9 (p = 0. 48). Moreover, there was no correlation between CMRO2 and kwashout in our dataset, suggesting that a rest CBF deficit could not account for the reduced CMRO2 in APPswe/PS1dE9 mice. We also evaluated whether the differences of CMRO 2 between CTR and APP swe /PS1 dE9 brains could be related to differential cerebral perfusion. Post-inhalation H 2 17 O signal, referred to as the washout phase signal, is mainly driven by local blood perfusion, and the exponential decay rate k washout can be used as an estimator of CBF, as was previously validated in the rat brain  [11]. Here, we found no difference in the CBF estimator k washout between groups and values were 0. 33 ± 0. 03 min -1 in CTR and 0. 30 ± 0. 03 min -1 in APP/PS1 dE9 (p = 0.
The resulting full width at half maximum for 1 H ranged between 45 and 55 Hz in vivo. In the CTR and APP swe /PS1 dE9 groups, RARE images were acquired (TR/TE = 3000/30 ms, RARE factor 8; FOV: 20 × 20 mm 2 ; matrix size: 192 × 192; slice thickness: 0. 5 mm) so that total brain and ventricles volumes were determined by automated segmentation using an in-house developed python library (https://sammba-mri. github. io/, accessed on 1 November 2018).
, Matlab, R2015b) and filtered with a Hamming window. FIDs were then zero filled to 256 points and a line broadening of 6000 Hz was applied to minimize the FID truncation artifact due to the short acquisition time (1 ms). After Fourier transform and spectral rephasing, voxelwise integration of the real part over 3720 Hz (9 points) was performed to generate CSI images. ZTE imaging acquisitions: ZTE cartesian matrix size was 32 × 32 × 32 for a field of view of 48 × 48 × 48 mm 3 , which was achieved with 3310 radial spokes, each acquired in 0. 88 ms. Successive ZTE blocks were acquired with 4 averages in 24. 8 s, and repeated 40 times. ZTE post-processing: Initial reconstruction was performed in Paravision 6. 0. 1 (Bruker, Ettlingen, Germany), including reggriding of the ZTE-MRI radial k-space onto a Cartesian k-space using a Kaiser-Bessel kernel, density compensation and apodization correction.
Complex Cartesian data were exported to Matlab and filtered with a Hamming window. SNR calculation: Spatial response functions were calculated accounting for the Hamming filter for CSI, resulting in an effective volume V eff = 2. 84 mm 3 for individual voxels, and for Hamming filter and T2* relaxation for ZTE acquisition, with a T2* of 1. 3 ms in vivo (resulting in V eff = 3. 1 mm 3 ), and 3. 2 ms in free water (resulting in V eff = 2. 9 mm 3 ), as estimated from unlocalized single pulse acquisitions. SNR was calculated for a pixel located close to the coil for ZTE and CSI images (averaged over the 40 repetitions) as: SNR = signal SD(noise) × V e f f × block acquisition time xNR ( 1 ) where noise is a 6 × 6 pixels 2 region of interest outside of the object. The temporal SNR was calculated as: tSNR = ∑ NR n=1 signal n /NR SD(signal n, n:1→NR ) × V e f f × block acquisition time (2).
CMRO 2 Calculation First, each series of filtered H 2 17 O ZTE images was normalized to baseline values in a pixel-wise manner and converted to absolute H 2 17 O concentration at baseline (D). Assuming a natural abundance of 20. 35 µmol of H 2 17 O per g of water and a water/brain partition coefficient β brain of 0. 79  [18] , the value D is equal to 16. 07 µmol/g of brain tissue and CMRO 2 results can be expressed in µmol of O 2 /g of brain tissue/min. CMRO 2 quantification was achieved using two different approaches: (1) the 3-phase metabolic model proposed by Atkinson et al. [8]  and (2) the simplified linear model proposed and validated by Zhang et al. [18]  in rodents. All models and fitting procedures were implemented in Matlab.
Statistical Analysis All statistical analysis were performed using GraphPad Prism version 6. 07 for Windows (GraphPad Software, San Diego, CA, USA, www. graphpad. com, accessed on 22 April 2021). Group comparison were tested using Mann-Whitney's U test and statistical significance was set to p < 0. 05. Linear correlations were tested using a Pearson coefficient r and and statistical significance of the correlation was set to p < 0. 05. Comparison of the results from the different models in the CTR data set were performed using non-parametric ANOVA (Friedman) and Dunn's test for multiple comparisons.
Acknowledgments: The authors would like to thank  Emmanuel Brouillet  ( Université Paris-Saclay, CEA, CNRS, MIRCen, Laboratoire des Maladies Neurodégénératives, Fontenay-aux-Roses, France ) and  Chloé Najac (C. J. Gorter Center for High Field MRI ,  Department of Radiology, Leiden University Medical Center, The Netherlands ) for helpful discussions on experimental design and help with data post-processing. Eric Giacomini  provided help with RF coil building.
This crystallization method provides an efficient screening of supersaturation and of potential nucleation conditions along the microfluidic channels containing the enzyme solution due to the concentration gradient generated by the diffusion of the crystallizing agent  5 , 6. The chip setup is simple, it uses only standard laboratory pipets and does not require any costly equipment. When crystals have grown in ChipX, ligands of the enzyme can be introduced by diffusion. Diffraction data are then collected at room temperature on a series of crystals contained in the channels of the chip using a synchrotron X-ray source. The structural study described here led to the determination of structures of a tRNA maturation enzyme in its apo form and in complex with an analog of its CTP substrate introduced by soaking.
The holder enables chip mounting on goniometers using standard magnetic heads. Hence the chip can be easily positioned and translated in the Xray beam to bring the crystals in diffraction position. The data collection strategy needs to be adapted depending on beamline characteristics and on crystal properties. In the case of the CCA-adding enzyme, data were collected at X06DA and X10SA beamlines, Swiss Light Source (SLS), with an X-ray wavelength of 1. 0 Å and Pilatus 2M-F and 6M pixel detectors, respectively. 30-60° of rotation were collected on each crystal at room temperature with images of 0. 1° or 0. 2° and 0. 1 s exposure (see Table  1 ). Partial datasets were processed individually and cut when the resolution of diffraction patterns started to decay due to radiation damage (detected by the decrease of signal-to-noise ratio and CC 1/2 , and an increase of R meas in the high resolution shell).
Discussion Current protocols in biocrystallography involve the preparation of crystals using methods such as vapor diffusion or batch  13 , 14  , and their transfer into a microloop for cryocooling  15 , 16  before performing the diffraction analysis in a nitrogen jet at cryogenic conditions. In contrast, direct crystal cryo-cooling is not possible in ChipX 3 and crystals cannot be extracted from their microfluidic channel, which can be seen as limitations of this setup. However, the protocol described in the article provides a fully integrated pipeline for the determination of crystal structures at room temperature (i. e. , in more physiological conditions). Even though data collection at room-temperature causes an increase of radiation damage  19  , this effect is counterbalanced by fast data acquisition time (a maximum of 60° rotation is collected on each crystal) and by merging of several partial datasets.
e. , does not alter crystal mosaicity by physical interaction or cryocooling)  20. The diffraction analysis is performed on a series of crystals distributed along the chip channels with low dose exposure to minimize radiation damage, and a full dataset is assembled by merging partial data from the series. The standard footprint and simple design of ChipX will allow in the future a complete automation of in situ data collection using synchrotron or XFEL facilities. All steps of the protocol are carried out in ChipX. From the experimenter point-ofview, chip setup is simple and easy to perform with standard pipets and does not require any extra equipment. The treelike channel connection at the sample inlet minimizes dead volumes in the system, which is important when working with samples that are difficult to purify or that are only available in limited quantity.
Acknowledgments The authors acknowledge the  Swiss Light Source (Villigen, Switzerland)  for beamtime allocation to the project on beamlines X10SA (PXII) and X06DA (PXIII),  Alexandra Bluhm  for her contribution to structure refinement,  Clarissa Worsdale  for the recording of the voiceover and  François Schnell  ( Université de Strasbourg ) for his assistance in video editing and SFX. This work was supported by the  French Centre National de la Recherche Scientifique (CNRS) , the  University of Strasbourg , the  LabEx consortium "NetRNA"  ( ANR-10-LABX-0036_NETRNA ), a PhD funding to R. dW from the  Excellence initiative (IdEx)  of the  University of Strasbourg  in the frame of the  French National Program "Investissements d'Avenir ", a PhD funding to K. R. from the  French-German University (UFA-DFH , grant no.
Magnetic Measurements All magnetic properties were measured by a Quantum Design MPMS XL system in the range of temperatures of 1. 8-300 K. Photomagnetic studies were conducted on a smaller sample (ca. 0. 5 mg) sealed in a small PVE bag fixed with Scotch tape, blocked tightly between two transparent polypropylene films and mounted in the probe equipped with an optical fiber entry enabling the transmission of laser light of 405 nm line (P ≈ 3 mW/cm 2 ) into the sample space. We used for the three compounds the molecular weights shown in Table  A1. To compare the magnetic data of the three compounds, the plots were obtained considering per M' 2 Mo or M' 2 W units. This means that the molecular weights have been divided by 6 for 1 in Figure  3 , and by 3 for 2 and 3 in Figures  4  and 5. Diamagnetism of the sample holders and of the constituent atoms (Pascal's tables) was accounted for in all the obtained magnetic and photomagnetic data.
Elemental Analysis Elemental analyses of C, H and N were carried out with a German Elementary Vario EL III instrument. 4. 3. 6. Single-Crystal X-ray Crystallography Data collection and reduction for 1 and 2 were performed on a Microfocus rotating anode (Rigaku FRX) operating at 45 kV and 66 mA at the CuKα edge (λ = 1. 54184 Å) with a partial chi goniometer. The X-ray source is equipped with high-flux Osmic Varimax mirrors and a Dectris Pilatus 300K detector. Data collection and reduction for 3 were performed on the Bruker Apex II instrument operating at 50 kV and 30 mA using molybdenum radiation Mo Kα [λ = 0. 71073 Å]. The crystal structures were solved by direct methods using SHELXT and refined using a F2 full-matrix least-squares technique of SHELXL2014/7  [25]  included in the OLEX-2 1.
2  [26]  software packages. The non-H atoms were refined anisotropically, adopting weighted full-matrix least squares on F2. CCDC 2083835, 2083836 and 2083837 contain the supplementary crystallographic data for compounds 1, 2 and 3, and additional crystallographic information is available in the Supporting Information. The structural data presented as figures were prepared with the use of the OLEX-2 software. Geometries of metal centers are estimated with the Continuous Shape Measures (CShM) analysis using of SHAPE v2. 0 software  [27].
Goat secondary antibodies conjugated to Cy3, Alexa 488, and Cy5 against mouse or rabbit IgG (Jackson Immunoresearch Laboratory) were used at 1:300 for detection. To generate clones in the MB, we used the MARCM technique  23. First instar larvae were heat-shocked at 37 °C for 1 h. Adult brains were fixed for 15 min in 3. 7% formaldehyde in PBS before dissection and GFP visualization. Microscopy and image processing. Images were acquired at room temperature using a Zeiss LSM 780 laser scanning confocal microscope (MRI Platform, Institute of Human Genetics, Montpellier, France) equipped with a ×40 PLAN apochromatic 1. 3 oil-immersion differential interference contrast objective lens. The immersion oil used was Immersol 518F. The acquisition software used was Zen 2011 (black edition). Contrast and relative intensities of the green (GFP), of the red (Cy3), and of the blue (Cy5 and Alexa 647) channels were processed with the ImageJ and Fiji software.