dataesr/scientific-paragraphs-categorization huggingface dataset:
Acknowledgments  Y. Gossuin  acknowledges  L. Vander Elst  for the access to the low field FFC device and the  F. R. S. -FNRS  for the financial support. FF and ZS have received funding from the  European Research Council (ERC)  under the European Community's  Seventh Framework Programme  (FP7/ 2007-2013),  ERC  Grant agreement  279519  ( 2F4BIODYN ). LS and RTMR acknowledge the financial support from the  EPSRC (DTA)  and  The Centre of Excellence in Medical Engineering  funded by the  Wellcome Trust  and  EPSRC  under Grant No. WT 088641/Z/09/Z. A short-term scientific mission (STSM) for LS to carry out measurements with YG was funded by the  EU   COST action TD1007 (Bimodal PET-MRI  molecular imaging technologies and applications for in vivo monitoring of disease and biological processes).
Acknowledgements J. Ricouvier  and  B. Shen  contributed equally to this work. The authors gratefully acknowledge the fi nancial support from the  Microfl  usa project which received funding from the  European Union 's  Horizon 2020 research and innovation programme  under Grant Agreement No. 664823. The authors also thank  French Ministry of Research, ESPCI , and  CNRS  for their support to this work. The authors thank  M. Reyssat ,  B. Cabane ,  A. Leshansky ,  R. Dreyfus ,  D. Pine ,  S. Quake ,  C. Ren ,  A. D. Cambou , and  P. Yazhgur  for enlightening discussions,  F. Monti  for technical help,  A. Simon  for help in the preparation of the manuscript,  C. Cejas  for a useful programming help, and all the MMN for fruitful interactions.
Characterization Transmission electron microscopy (TEM) measurements were conducted on a JEM-2100F microscope (JEOL, Tokyo, Japan) operated at 200 kV. The samples for TEM measurement were suspended in ethanol and supported onto a holey carbon film on a Cu grid. Scanning electron microscopy was taken with a JEOL-7800F field emission electron microscopy. The N 2 -sorption experiments were performed at -196 °C on a Micromeritics Tristar 3000 (Atlanta, GA, USA) system with micropore analysis. Before the measurement, the samples were out-gassed at 120 °C for at least 6 h. The Brunauer-Emmett-Teller specific surface areas were calculated using adsorption data at a relative pressure range of P/P 0 = 0. 05-0. 25. The total pore volumes were estimated from the amount of nitrogen adsorbed at a relative pressure (P/P 0 ) of 0.
99. X-ray photoelectron spectroscopy (XPS) data were acquired using a Kratos Axis ULTRA X-ray Photoelectron Spectrometer (Kratos Analytical Ltd, Manchester, UK), their atomic concentrations were calculated using the CasaXPS version 2. 3. 14 software (Casa Software Ltd. , Cheshire, UK) and a Shirley baseline with Kratos library Relative Sensitivity Factors. Peak fitting of the high-resolution data was also carried out using the CasaXPS software.
ACKNOWLEDGEMENTS This work was financially supported by the  Australian Research Council (ARC)  through  Discovery Project program  ( DP1094070 ) and  Linkage Project program  ( LP150101158 ). JL gratefully acknowledges the support of  UQ Foundation Research Excellence Award, France-Australia Science Innovation Collaboration (FASIC) program Early Career Fellowships and Curtin University Pro Vic-Chancellor Awards for Research Excellence. JH acknowledges the  MCR Scheme  and the  Cluster Scheme at the Faculty of Engineering & IT , the  University of Sydney. JL and MM designed the research. TYY synthesized the metal nanoparticle-loaded carbonaceous nanospheres. HJL and JH performed the hydrogenation experiments. TYY and JL performed characterizations. TYY, JH and JL co-wrote the manuscript with input from JFL, MJ and MM.
(a) at intermediate channel lengths. This work has received funding from the European Union Seventh Framework Programme under grant agreement 604391 Graphene Flagship. S. R. acknowledges the Spanish Ministry of Economy and Competitiveness for funding (MAT2012-33911), the Secretaria de Universidades e Investigacion del Departamento de Economia y Conocimiento de la Generalidad de Cataluna and the Severo Ochoa Program (MINECO SEV-2013-0295). We acknowledge computational resources from PRACE and the Barcelona Supercomputing Center (Mare Nostrum), under Project 2015133194. J. M. M-T. was supported as Fulbright Scholar and by Colciencias (Departamento Administrativo de Ciencia, Tecnologia e Innovacion) of Colombia. B. K. N. was supported by NSF Grant No. ECCS 1509094, and is grateful for the hospitality of Centre de Physique Théorique de Grenoble-Alpes, where part of this work was done.
Thermal transients Thermal operations were performed using resistive (Joule) heating, driven by an Electrothermal Mechanical Tester (ETMT8800), manufactured by Instron, in which the specimen was mounted. Sample temperature was monitored close to the beam (at the axial centre of the sample) using an S-Type thermocouple and the heating current was adjusted dynamically by the software to maintain desired temperatures. This was necessary to mitigate against heat loss to the water-cooled grips and chamber atmosphere. In addition, the ETMT control software was set to adjust the position of the mobile armature to maintain zero load on the sample, compensating for thermal expansion. Due to the high affinity of zirconium for oxygen at elevated temperatures, the chamber of the ETMT was purged with inert argon gas, which continued to flow through the chamber throughout the experiment.
The postulated damage recovery at temperatures present in this work is potentially supported by the reduction of irradiation induced dislocation loop density  [70, 71]  and cold work dislocations  [72]  at similar temperatures. The subsequent cycles, C2eC8, were based on raising the temperature above the TSSD of the sample and holding for 15 min to completely dissolve all hydrides. A quench was then performed using a sudden reduction in current to a level required to attain the isothermal dwell temperature present in each cycle. These actions were all performed automatically by the ETMT software using a pre-programmed operational plan. In practice, the loss of heat through radiation and conduction was not sufficient to instantaneously quench the sample, and the maximum rate of cooling was observed to be z30 C s À1.
Synchrotron data analysis For measurements of diffracting volume of hydride, integration over the full azimuthal range of the DebyeeScherrer rings was performed, to ensure that diffraction from the maximum number of crystals of the precipitate was recorded. For strain analysis, however, partial integrations were used for the matrix and hydride in the four principle directions (considered 'compass points') of the DebyeeScherrer ring patterns. With the geometry of the sampleedetector relationship, 0 and 180 represent the TD, while 90 and 270 represent the RD; these directions are illustrated in Fig. 1(b ). The reason for using a narrow segment of the full pattern comes from the desire to give directionality to the recorded strain evolution. For the matrix, an integration with an azimuthal range of 15 (j ± 7.
5) was performed; however, the d-hydride signal was low, so this sampling range was insufficient to resolve Bragg reflections. Instead, a partial integration with an azimuthal range of 45 (j ± 22. 5) was used for the hydride phase. The diffractogram files produced by Fit2D were normalised as a function of beam intensity to remove the effect of synchrotron energy decay, after which they were simulated using TOPAS-Academic V5. Batch processing was handled using Matlab R2014b and a proprietary function. Instrumental broadening is accounted for by defining profile parameters from a Standard Reference Material and using these in the analysis of patterns recorded from the sample. Changes in profile shape can then be considered to arise predominantly from the sample, as instrument contributions are determined from the calibrant  [76, 77].
and Carpenter is greater in the incoherent < 1100 > a direction, than the coherent < 1120 > a  [34, 41]. This direction, being that with greatest plastic relaxation of the misfit, being oriented predominantly in the RD (as a function of the texture) is then likely why significant negative strains (thought to be indicative of relaxation) are also recorded in that direction in the present study. From the data in Table  2 , it is also evident that some relaxation of the misfit may also take place in < 1120 > a (oriented in the TD), but no notable evidence of any time dependent relaxation is seen in Fig. 9  for the TD. It is thus suggested that any relaxation that does occur in < 1120 > a does so while the process of precipitation is ongoing, rather than after it is complete. It should be noted that if this is the case, some fraction of the < 1100 > a misfit likely also relaxes during precipitation, and so it is suggested that the postprecipitation relaxation encourages further relaxation of the misfit in < 1100 > a.
Acknowledgements The author would like to thank the  Institut de Radioprotection et de Sûret e Nucl eaire  for funding the beam time and providing the samples utilised in this experiment as well as  Rolls-Royce  and the  Engineering and Physical Sciences Research Council  for providing sponsorship funding ( EP/I003290/1 ,  EP/I005420/1 ). Further acknowledgements should be given to the infrastructural support of the  Materials Performance Centre at The University of Manchester , and the  University  as a whole. The author is also grateful to  J. Blomqvist  and  T. Maimaitiyili  of the University of Malm€ o for helpful two-way exchanges of technique and best practice for synchrotron analysis. Finally, thanks should be given to  A. T. W. Barrow , of  Rolls-Royce ,  S. C. Connolly , of  Oxford University , and S.
Acknowledgements We gratefully acknowledge the use of facilities within the  Leroy Eyring Center for Solid State Science at Arizona State University. We also would like to thank  Professor P. E. Batson  for the use of experimental facilities at  Rutgers University , supported by the  Department of Energy  grant  DE-SC0005132. We acknowledge partial financial support from the  National Science Foundation  grant  CHE-1508667. Financial support for the purchase of the microscopes was provided by the  National Science Foundation  grant  DMR MRI #0821796  ( Arizona State University ) and  National Science Foundation  grant  DMR MRI-R2  # 959905  ( Rutgers University ). Partial funding for the work at the Weizmann Institute was provided by the  Kimmel Center for Nanoscale Science and the Irving and Cherna Moskowitz Center for Nano and Bio-Nano Imaging.
Water retention properties The water retention curve expressed in terms of changes in water content versus suction is presented in Figure  1  (zero suction arbitrarily plotted at 0. 01 MPa). Starting from initial state (w = 6. 12%, suction 34 MPa), two points were obtained from two distinct specimens with a direct single step drying at controlled suctions of 150 and 331 MPa, respectively. Similarly, two other points were obtained with a direct single step wetting at suctions of 9 and 0 MPa. Data along the main wetting and drying paths were also obtained by suction measurements and water content determination along the wetting path from 331 to 0 MPa for specimen B2 and along the drying path from zero suction to 331 MPa for specimen D2. Good correspondence is observed along the main wetting path between the data of specimens B2 and A2 that was Examination of the main drying and wetting paths shows that the water retention properties of the COx claystone are characterized, commonly, by a hysteresis effect.
No data on Rb were available from this sampling. The total weathering loss of K was estimated based on concentrations of K and two putatively immobile reference elements: Ti and Zr. Based on the equations and terminology of  Brimhall et al. (1991) , the loss or accumulation during pedogenesis of a mobile element (indexed 'j'; in our case K) in a weathered horizon can be expressed as: m j;flux ¼ V w q w C j;w À V p q p C j;p ð1Þ A positive m j, flux indicates accumulation of the jth element; negative values indicate loss. V w and V p denote the volume of the studied horizon after weathering and under pre-weathering ('protolithic') conditions, respectively; q w and q p are the corresponding dry bulk densities, and C j, w and C j, p the element concentration after and before weathering. The volume (thickness) of the horizon as it was before weathering, V p , can be derived from Eq.
Depending on the hydrological conditions, seepages were collected 2-8 times per year from July 1992 to October 1998. Data on sample volume and K concentrations, analysed by inductively coupled plasma atomic emission spectroscopy (ICP-AES), were combined on an annual basis and related to the area covered by the lysimeter, to yield an efflux of K, kg ha -1 year -1. Data from the first two years were disregarded, when the decay of roots cut off during the installation caused abnormally high concentrations of dissolved ions. A fractionation model for fluxes of K and Rb between vegetation and mineral soil A fractionation model was developed that described the possible discrimination against, or preference for, Rb in the cycling of K. In line with the practice in work on stable isotopes, where ratios are formulated to express the relative abundance of the minority species, the ratio of Rb/K was used rather than the inverse.
Acknowledgements Archive samples, archive data and help with digestion of biological samples were kindly provided by colleagues at the  Department of Ecology, SLU :  Dr. Per-Olov Brandtberg  and  Dr. Bengt Olsson. A critical discussion on pools and fluxes during the development of the K/Rb fractionation model was provided by  Dr. Mats  at the  Department of Soil and Environment, SLU. The study was performed as part of the  Environmental Monitoring and Assessment programme at SLU  and the 'strong research environment'  QWARTS (Quantifying Weathering rates for Sustainable Forestry ), financed by the  Swedish Research Council Formas  (Grant No  2011-1691 ).
Onset temperatures of T c were 36, 30, 25, 16 and 11. 5 K with a transition width of 6, 5, 8, 5, 4 K for x = 0. 50, 0. 58, 0. 66, 0. 77 and 0. 84, respectively. Inelastic neutron scattering measurements were conducted at FRM ll on the triple-axis spectrometer PUMA and at LLB on the 2T1 spectrometer. The final neutron energy was fixed at E f = 14. 7 meV by using double-focusing pyrolytic graphite crystals as a monochromator and analyzer. To remove higher-order neutrons, a pyrolytic graphite filter was inserted between the sample and the analyzer. Data of x = 0. 50, 0. 58, 0. 66 and 0. 77 were measured at PUMA and that of x = 0. 84 was measured at PUMA and 2T1. Δχ"(q,ω) around E res defined as ∫ χ" res (q,ω)dω (closed square), ∫ χ" res (q,ω)dω extracted from ref. ∫ χ" (q,ω)/ω dω δ E res / k B T c AFM SC ∫ χ" (q,ω)/ω dω ∫ χ" res (q,ω) dω.
Acknowledgments We would like to acknowledge discussions with  K. Kuroki ,  H. Kontani  and  S. Onari. This work was supported by a  Grant-in-Aid for Scientific Research B  (No. 24340090 ) from the  Japan Society for the Promotion of Science  and by the  Deutsche Forschungsgemeinschaft  through the  Priority Programme SPP1458  ( BR2211/1-1 ).
Crosslinking Mass Spectrometry of Influenza Polymerase Conformation in Solution Recombinant polymerase complexes with no bound RNA (Bat FluA and FluB) or 5 0 -3 0 vRNA bound (Bat FluA) were crosslinked using two amine-reactive, homo-bifunctional reagents of different length, disuccinimidyl-suberate (DSS) or disuccinimidyl-glutarate (DSG). Subsequently, crosslinked peptides were subjected to mass spectrometric analysis and stringently identified using the xQuest/xProphet software  (Walzthoeni et al. , 2012). High-confidence crosslinks with a linear-discriminant (ld) score  (Walzthoeni et al. , 2012)  higher than 25 were selected for the analysis, resulting in a total of 234 unique crosslinks (see Figure  S7  and Tables  S1, S2 , and S3 for more details on the datasets). Pooled crosslinks from the different samples were then mapped onto four different FluB polymerase structures: the crystallographically determined c5 0 -or v5 0 -3 0 -bound conformations, the v5 0 -3 0 -bound conformation with the alternative cap-binding domain orientation modeled on the bat FluA structure  (Pflug et al.
EXPERIMENTAL PROCEDURES Protein Production, Crystallization, and Structure Determination Residues 247-736 from the A/Vietnam/1203/2004(H5N1) PB2 subunit were expressed in E. coli. Influenza B/Memphis/13/03 polymerase, purified as described previously  (Reich et al. , 2014) , was mixed with either nucleotides 1-12 of the vRNA 5 0 end (5 0 -pAGUAGUAACAAG-3 0 ) or cRNA 5 0 end (5 0 -pAGCAGAAGCAGA-3 0 ). Residues 1-197 of FluB PA were expressed in E. coli, and purified endonuclease was mixed with synthetic FluB PB2 NLS peptide (residues 742-770). Crystallization trials were performed with a Cartesian robot and diffraction data measured on European Synchrotron Radiation Facility (ESRF) MX beamlines. Structures were solved by molecular replacement with PHASER and refined using REFMAC5 within the CCP4i package  (Winn et al.
Biophysical Methods The K d for FluB NLS peptide binding to the endonuclease was derived from ITC measurements performed at 25 C using an ITC200 Micro-calorimeter (Micro-Cal). SEC-MALLS was performed on FluB polymerase with or without 12-mers of v5 0 or c5 0 RNA bound. SAXS measurements were performed on ESRF beamline BM29 on FluB polymerase with either no bound RNA or with only v3 0 , only v5 0 or both v3 0 and v5 0 RNAs as they eluted from an online size-exclusion column. Automatic data processing used the ATSAS package  (Petoukhov and Svergun, 2007).
Crosslinking Mass Spectrometry Crosslinking was performed using recombinant FluA or FluB polymerase or reconstituted FluA-vRNA polymerase complex by addition of isotope-labeled DSS or DSG as described previously  (Leitner et al. , 2014). Protein digestion was performed at 37 C using LysC for 4 hr and trypsin for 12 hr, and crosslinked peptides were enriched using gel filtration. Fractions were analyzed by liquid-chromatography-based mass spectrometry using a nanoAcquity ultraperformance liquid chromatography column connected to a LTQ Orbitrap Velos Pro instrument (Thermo Scientific). Mass spectrometry data were processed using the xQuest/xProphet. Identified crosslinks were mapped to known polymerase structures and analyzed using Xlink Analyzer  (Kosinski et al. , 2015).
ACCESSION NUMBERS The accession numbers for the structure factors and coordinates are wwPDB: 5FMM (H5N1 PB2-C form 1), 5FMQ (H5N1 PB2-C form 2), 5EPI (FluB c5 0 ), 5FMZ (FluB v5 0 ), and 5FML (FluB endonuclease with PB2 NLS). The mass spectrometry proteomics data reported in this paper have been deposited to the ProteomeXchange Consortium  (Vizcaı ´no et al. , 2014)  with the dataset identifier PRIDE partner repository: PXD002234.
ACKNOWLEDGMENTS We thank staff of the  ESRF-EMBL Joint Structural Biology Group , in particular  Matthew Bowler , for access to ESRF beamlines, the EMBL eukaryotic expression and high-throughput crystallization facilities within the  Partnership for Structural Biology (PSB) , and the  EMBL Heidelberg Proteomics Core facility. We also thank  Ivan Ivanov ,  Andres Palencia ,  Juan Reguera , and  Andrea Wolkerstorfer  for help with the MALLS,  ITC , and FRET assays, respectively, and  Ervin Fodor  and colleagues for discussions. J. K. and T. B. were supported by the  EMBL   Interdisciplinary Postdoc Programme (EIPOD)  under  Marie Curie COFUND Actions. E. T. was funded by a  FINOVI award  and  EU   FP7  project  FLUPHARM. The project was supported by  ERC   Advanced Grant V-RNA  ( 322586 ) to S.
Experimental Section Computation Methods: First-principles spin-polarized density functional theory (DFT) calculations  [41]  have been performed to investigate the Boron doping to the NASICON structured Na 3 V 2 (PO 4 ) 3 cathode materials using the Vienna ab initio simulation package  [42]  with the projector augmented waves (PAW) pseudopotentials  [43]  and the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional. [44] he plane-wave basis set was determined with a cutoff energy of 520 eV and the k-point sampling of Brillouin-zone integrals used a 2 × 2 × 1 Gamma grid. The simplified rotationally invariant approach introduced by Dudarev  [45]  to the Hubbard model corrections was used with a U-J parameter of 4. 2 eV for vanadium atom, whereas the correction was not used for the other species.
Acknowledgements P. H and X. F. W. contributed equally to this work. This work was financially supported by the  National Natural Science Foundation of China program  (Grant Nos. 51502319  and  51372228 ), the  Key Technology Research Projects of Qingdao  (Grant No. 13-CX-10 ),  Shanghai Institute of Materials Genome  from the  Shanghai Municipal Science and Technology Commission  (Grant No. 14DZ2261200 ), and  Shanghai Pujiang Program  (Grant No. 14PJ1403900 ). All the computations were performed on the high performance computing platform of  Shanghai University. This research used resources of the  Advanced Photon Source , a  U. S. Department of Energy (DOE) Office of Science User Facility  operated for the  DOE Office of Science by Argonne National Laboratory  under Contract No. DE-AC02-06CH11357.
Experimental methods The details of the measurement of the U M 4 (3d 3/2 → 5f, 7p transitions) HERFD-XAS spectra and the UO 2 -and UO 2 (NO 3 ) 2 •6H 2 O-sample preparation and characterization are described in Refs. 8, 12 The total electron yield (TEY) spectra at U 3d edges were measured under conditions described in Refs. 20, 21 xperiments in the energy range of the U N 4,5 (4d → 5f, 7p transitions) and N 6,7 (4f → 6d, 5g transitions) edges of UO 2 were performed at beamline 7. 0. 1 of the Advanced Light Source of Lawrence Berkeley National Laboratory, employing a spherical grating monochromator. 22  4d and 4f XAS data were measured in the TEY mode using drain current on the sample. The incidence angle of the incoming photons was close to 90 • to the surface of the samples. The monochromator resolution was set to ∼150 meV at 385 eV and to ∼400 meV at 740 eV during measurements at the U 4f and 4d edges, respectively.
It turns out that the U N 6,7 XAS spectral structures of UO 2 between 402. 5 eV and 410 eV result from the exchange interaction between core and valence electrons. This is easily revealed by scaling the G k integrals in the calculations so that the positions of the structures move towards higher energies with increasing G k values. Therefore, the energy positions of these structures observed in the experimental spectrum put additional constraints on and help to accurately determine the strength of the exchange interaction. As in case of the HERFD-XAS data at the U 3d edge of UO 2 , a significant reduction of the G k integrals is required for a proper description of the experimental XAS data at the U 4f edges of UO 2. Despite a significant improvement in the description of the experimental data, the crystalfield multiplet theory does not correctly reproduce the ∼390.
The number of vibrational degrees of freedom is 3NÀ6, where N is the number of atoms in the molecule, which ranges from 228 for leucine-enkephalin to 5268 for cytochrome c (see Table  3 ). Typically, protein ions get collisionally cooled to ambient temperature by a buffer gas in less than 10 ms. 28 As we apply buffer gas pulses of about 100 ms duration, the protein internal temperature prior to photoabsorption can be assumed to be 300 K. From this temperature, the initial thermal excitation energy E 0 exc can be determined. Values between 0. 92 eV (leucine enkephalin) and 21. 28 eV (cytochrome c) are obtained (see Table  3 ). The protein internal energy after photoabsorption can then be determined by adding to E 0 exc the photoexcitation energy estimated from the Auger-electron spectrum. We will discuss our data assuming 18.