dataesr/scientific-paragraphs-categorization huggingface dataset:
Data processing The recorded AFM images and corresponding height proles were processed using PicoView (Keysight Technologies). The recorded slices of the FIB/SEM tomography were processed by Fiji. 54 The images were aligned using 'linear stack alignment with SIFT',  55  followed by the application of a FFT bandpass lter to adjust the brightness and contrast for all recorded and processed slices. 3D graphs were obtained with Avizo 9. 1. 0 Lite (FEI, ThermoFisher Scientic).
Acknowledgements This work was supported by the  Deutscher Akademischer Austausch Dienst (DAAD)  (Project  57060632 ), the  Australian Research Council  (Grant  DP130102040 ), the  Australian Government Research Training Program Scholarship  and the  Rowe Scientic Scholarship  ( B. J. J. Austen ), the  Agence Nationale pour la Recherche  (grant number:  ANR-14-CE14-0002-01 ) and the  Joint Research Cooperation Scheme of the Australian Technology Network  and the  DAAD  (travel grant). The  Focused Ion Beam Center UUlm  (supported by  FEI Company, Eindhoven, NL , the  German Science Foundation  (Grant  INST40/385-F1UG ) and  Struktur-und Innovationsfonds Baden-Württemberg)  is acknowledged.
Raman spectra at 355 nm (10 mW at source, Cobolt Lasers) were acquired in a 180°b ackscattering arrangement. Raman scattering was collected by a 2. 5 cm diameter plano convex lens ( f = 7. 5 cm). The collimated Raman scattering passed through an appropriate long pass edge filter (Semrock) and was focused by a second 2. 5 cm diameter plano convex lens (f = 15 cm) into a Shamrock500i spectrograph (Andor Technology) 2399 L/mm grating blazed at 300 nm, acquired with an iDus-420-BU2 CCD camera (Andor Technology). The spectral slit width was set to 12 μm. Data were recorded and processed using Solis (Andor Technology) with spectral calibration performed using the Raman spectrum of acetonitrile/toluene, 50/50 (v/v). 34 EPR spectra (X-band, 9. 46 GHz) were recorded on a Bruker ECS106 spectrometer in liquid nitrogen (77 K) or a Bruker EMX Nano spectrometer.
■ ACKNOWLEDGMENTS The COST association action  CM1305  ECOSTBio (STSM grant  34080 ), the  European Research Council  ( ERC 279549 , W. R. B. ), the  labex arcane  ( ANR-11-LABX-003 ),  MINECO  ( CTQ2014-59212-P  and  CTQ2015-70851-ERC , M. S. ),  Gen-Cat  ( 2014SGR1202 , MS),  FEDER  ( UNGI10-4E-801 , M. S. ), and the  Chinese Scholarship Council (CSC)  are acknowledged for financial support.
Theoretical calculations The geometry optimization of (I) was performed using the density functional theory (DFT) method with a 6-311 ++ G(d,p) basis set. The crystal structure in the solid state was used as the starting structure for the calculations. The DFT calculations were performed with the GAUSSIAN09 program package  (Frisch et al. , 2013). The resulting geometrical parameters are compared with those obtained from the X-ray crystallographic study, showing a good agreement for the bond lengths and bond angles with r. m. s. deviations of 0. 017 A ˚and 1. 06 , respectively (see Supplementary Tables  S1  and S2 ). In addition, an inspection of the calculated torsion angles shows that the coumarin fragment and the C11-C16 benzene ring are coplanar (see Supplementary Table  S3 ), which is in good agreement with the experimental results, although the calculated C10-O3-C7-C8 torsion angle between them (73.
Atomic Resolution Microscope The TEM foil (of approximate dimensions 20x10x0. 02 µm) was produced via Focused Ion Beam (FIB) using a Pt protective layer to protect the sample during milling and thinning. The foils were prepared on a FEI Helios Nanolab 600i dualbeam at Bristol before being transported to Oxford for STEM and EELS measurements. STEM and EELS was undertaken at the University of Oxford with a JOEL ARM 3000F. Measurements taken at 200 kV allowed EELS spectra to be obtained simultaneously with high-annular imaging. All EELS data are calibrated in energy and normalised for thickness using the zero-loss peak obtained as part of, or simultaneously with, the spectra of interest. The energy resolution of the EELS system is determined via the full width at half maximum of the zero-loss peak and is of the order of ∼0.
Acknowledgments AWE is thanked for the supply of low carbon uranium metal material for use as magnetron sputtering target. The authors thank the  EPSRC  grant code EP/K040375/1 South of England Analytical Electron Microscope. This work was undertaken in part due to the funding of the DISTINCTIVE consortium  EP/L014041/1. We thank  Patrick Colomp  and the  Radiation Protection Group  at the  ESRF  for cooperation during our experiments,  Tom Scott of Bristol  for his support and encouragement. Additional thanks for  Peter Morrall  and  James Petherbridge  for comments on the manuscript.
9 ± 0. 3 J g -1 , although in terms of accuracy, it is probably in the order of -6. 9 ± 1 J g -1. Before constructing the topological phase diagram, the phase behavior will be evaluated using the Le Chatelier principle. The behavior of spironolactone in relation to the pressure can be deduced from the specific volumes of the two polymorphs (see introduction and  (Espeau et al. , 2007) ). Form I is the denser polymorph and therefore its relative stability will increase with pressure, whereas the relative stability of form II will decrease. It implies that if a phase equilibrium exists, form I will be stable at the high-pressure side and form II at the lowpressure side. A similar analysis can be carried out in terms of the enthalpy of form I and form II. The data from Tables  3  and 4  indicate beyond reasonable doubt that form I possesses a higher absolute enthalpy than form II, which implies that form I is the high temperature form.
The catechol/lipid deposit/cytochrome c-modified glassy carbon electrode was transferred and studied by cyclic voltammetry in a phosphate buffer aqueous electrolyte at different pH values (Figure  6 ). The cyclic voltammograms successively recorded at the catechol/lipid deposit/cytochrome c-modified glassy carbon electrode in phosphate buffer aqueous electrolyte at various pH values (pH 7, 6, and 8. 2 in the chronological order of measurements) are presented in Figure  6A. Figure  6B  shows the faradaic contribution  38  in the cyclic voltammograms of Figure  6A  obtained by capacitive current subtraction using the QSoas software. 39 The cyclic voltammograms clearly show two reversible redox systems located at +0. 232 V (ΔE p = 50 ± 3 mV at 20 mV s -1 ) and at +0. 012 V (ΔE p = 43 ± 2 mV at 20 mV s -1 ) in phosphate buffer aqueous electrolyte at pH 7, corresponding to the grafted catechol and immobilized cytochrome c electrochemical signals, respectively.
The authors declare no competing financial interest. ■ ACKNOWLEDGMENTS E. L. is supported by a  Marie Skłodowska Curie Individual Fellowship  through funding from the  European Union 's  Horizon 2020 research and innovation program , grant agreement no. 745689. The authors also acknowledge the  France-Portugal PHC PESSOA program  for support, project  40814ZE. Dr. Vincent Fourmond  is warmly thanked for providing the QSoas software.
Acknowledgments: The authors acknowledge financial support from  Agence Nationale de la Recherche (ANR)  (for J. -L. M. ) and  UEFISCDI  (for F. -D. M. , A. M. T. and A. V. ) for the project  Hubert-Curien Brancusi ,  PN-III-P3-3. 1-PM-RO-FR-2016-0030 (Ctr No  86BM/2017 ), "Valorisation of winery by-products: application for wastewater treatment", "FOODVALUE".
Henceforth, this net treatment effect will be referred to as the fractional area. Integrations and calculations were carried out using OriginPro software (version 8, OriginLab, Northampton, MA). Generally, the lower the fractional area, the more effective the treatment. Weibull modeling. To determine the Weibull parameters, a and b (equation 1), CFU per milliliter versus time data were first normalized by division through cell numbers at t ¼ 0 prior to fitting with the Weibull model. Both a and b values were then used to calculate the Weibull distribution, so-called probability density function profile f(t). f t ð Þ ¼ b a t a bÀ1 exp À t a b ð2Þ All calculations were carried out using MATLAB (version R2014b, MathWorks, Natick, MA). Statistical analysis. All trials were carried out at least in duplicate, and measurements were made in triplicate.
Electrochemistry Voltammetric measurements were carried out with a potentiostat Autolab PGSTAT100 (ECO Chemie, The Netherlands) controlled by GPES 4. 09 software. Experiments were performed at room temperature in a homemade airtight three-electrode cell connected to a vacuum/ argon line. The reference electrode consisted of a saturated calomel electrode (SCE) separated from the solution by a bridge compartment. The counter electrode was a platinum wire of approximately 1 cm [2] apparent surface. The working electrode was GC microdisk (1. 0 mm of diameter -Biologic SAS). The supporting electrolyte (nBu 4 N)[PF 6 ] (Fluka, 99% puriss electrochemical grade) and the solvent DMSO (Sigma-Aldrich puriss p. a. dried<0. 02% water) were used as received and simply degassed under argon. The solutions used during the electrochemical studies were typically 10 -3 M in compound and 0.
5% v/v). Appropriate controls treated with or without solvent (DMSO), and various concentrations of miltefosine and amphotericin B (reference drugs purchased from Sigma Aldrich) were added to each set of experiments. After 120 h incubation at 37 °C and 6% CO 2 , well supernatant was removed. Cells were fixed with analytical grade methanol and stained with 10% Giemsa. The percentage of infected macrophages in each assay was determined microscopically by counting at least 200 cells in each sample. IC 50 was defined as the concentration of drug necessary to produce a 50% decrease of infected macrophages compared to the control. IC 50 were calculated by non-linear regression analysis processed on dose-response curves, using TableCurve 2D V5. 0 software. IC 50 values represent the mean value calculated from three independent experiments.
9% or DMSO, were added to each set of experiments. The effects of the tested compounds were assessed by the viability marker Alamar Blue ® (Fisher, France) assay described by  Räz et al. [51]  After a 69 h incubation period at 37 °C, 10 μL of Alamar Blue ® was then added to each well, and the plates were incubated for 5 h  [52]. The plates were read in a PerkinElmer ENSPIRE (Germany) microplate reader using an excitation wavelength of 530 nm and an emission wavelength of 590 nm. IC 50 were calculated by nonlinear regression analysis processed on dose-response curves, using GraphPad Prism software (USA). IC 50 was defined as the concentration of drug necessary to inhibit by 50% the viability of T. brucei brucei compared to the control. IC 50 values were calculated from three independent experiments in duplicate.
100 μL of MTT solution (0. 5 mg/mL in Alpha MEM Eagle) were then added to each well. Cells were incubated for 2 h at 37 °C and 5% CO 2. After this time, the MTT solution was removed and DMSO (100 μL) was added to dissolve the resulting formazan crystals. Plates were shaken vigorously (300 rpm) for 5 min. The absorbance was measured at 570 nm with a microplate spectrophotometer (Eon BioTek). DMSO was used as blank and doxorubicin (purchased from Sigma Aldrich) as positive control. CC 50 were calculated by non-linear regression analysis processed on dose-response curves, using TableCurve 2D V5 software. CC 50 values represent the mean value calculated from three independent experiments.
Comet assay The alkaline comet assay was used to detect DNA strand breaks and alkali-labile sites. Trypsinized HepG2 cells were embedded in 0. 7% low-melting point agarose (Sigma "Low Gelling Temperature") and laid on pre-cut sheets of polyester film (Gelbond ® film) to perform minigel deposits as previously described  [57]. Film were then placed in lysis solution (NaCl 2. 5 M, Na 2 EDTA 0. 1 M, Tris 10 mM, 1% Triton X-100, 10% DMSO pH 10) for 18 h at 4 °C. Electrophoresis (with a solution which contained 0. 3 M NaOH, 1 mM Na2EDTA, pH > 13) was processed for 24 min in a tank with a power supply giving 28 V (resulting in 0. 8 V/cm). After electrophoresis, films were immersed 2 × 5 min in PBS for neutralization, followed by fixation in 100% ethanol for 1. 5 h and drying. After staining with SYBR ® Gold (Life Technologies) at 10 000 X dilution for 20 min, films were observed at 20× magnification with an epifluorescence microscope equipped with an automated platform (Nikon NiE) and coupled to a camera (DS-Q1Mc) and the software Nikon NiS Element Advanced Research to automatically capture images.
Acknowledgments  A. Fairlamb  and  S. Wyllie  are supported by funding from the  Wellcome Trust  ( WT105021 ). J. Pedron  thanks the  Université Paul Sabatier de Toulouse  and the  Région Occitanie/Pyrénées-Méditerranée  for PhD funding. C. Piveteau  from  Institut Pasteur de Lille ,  C. Bijani  from  Laboratoire de Chimie de Coordination de Toulouse  and the mass spectrometry team of the  Institut de Chimie de Toulouse  are also acknowledged for their support, respectively for pharmacokinetics, NMR and HRMS experiments.
Microscopy images of GUVs were acquired with a confocal microscope Leica S440. UV-Vis measurements were performed in a HP 8452 UV-Vis Spectrophotometer at room temperature in order to calculate PyC 18 concentration in the P104 triblock copolymer solutions (with the A 380 value and 3 ¼ 7. 454 Â 10 4 ). z-Potential and DLS data is analyzed in terms of the P104 micelles concentration and the lipids concentration, i. e. [P104]/[lipid].
For that purpose, liposomes solutions at different concentrations were studied in order to remove any liposomes signal contribution to the emission spectra. A special program using OriginPro soware was developed in order to subtract the intensity signal of liposomes suspensions from each emission spectra and to integrate the excimer and monomer intensity peaks. The evolution of the acquired spectra as a function of time was quantied by calculating the ratio of the excimer to monomer intensity signals. Other kinetic experiments were performed by measuring the lifetime evolution of PyC 18 by using a homemade single photon counting spectrometer. The excitation wavelength was 344 nm and the emission 380 nm. Spectrums were taken each 30 min. These measurements were performed by mixing a P104 solution containing small amounts of PyC 18 with liposomes solutions.
Acknowledgements  Dr J. F. A. Soltero  acknowledges to CONACYT for nancial support through project No. 223549. L. M. Bravo-Anaya  acknowledges the scholarship granted by  CONACYT , the Bourse Eiffel scholarship granted by  French Government , nancial support granted by  G. Bravo-Galván  and  Dr Marguerite Rinaudo  for helpful scientic discussions. We acknowledge  Raoul Zana  from  Institut Charles Sadron  for the single photon counting spectrometer donation. We acknowledge  Dr Hélène Galliard  for her valuable help with conducting the experiments and  Mohamed Karrouch ,  Eric Faivre ,  Frédéric Hugenell  and  Didier Bleses  for their technical support. We acknowledge  Ana Medeiros  for her help with performing Confocal Microscopy observations. The Laboratoire Rhéologie et Procédés is part of the  LabEx Tec 21 (Investissements d 'Avenirgrant agreement no.
Acknowledgements Financial support from the  DFG  ( HE 5967/4-1  and  NA 686/11-1 ),  BAM's Focus Area Analytical Sciences  ( KonSens Project ) and the  Alexander-von-Humboldt Foundation  is gratefully acknowledged. We also thank  Claudius Walter ,  Prof. Dr. Mathias Winterhalter , and  Prof. Dr. Richard Wagner  for help with the FCS measurements and  Ms. Shuai Zhang  for providing a sample of CB7-functionalized polymer beads.
Acknowledgements The PXRD and STM studies of this work were supported by a  Grant-in-Aid for Scientic Research on Innovative Areas  "p-System Figuration:  Control of Electron and Structural Dynamism for Innovative Functions" (26102008)  from the  Ministry of Education, Culture, Sports, Science and Technology, Japan. The studies on solar cell devices were supported by  Core Research for Evolutional Science and Technology (CREST) ,  Japan Science and Technology Agency (JST). Synchrotron XRD experiments were carried out at the BL45XU beamline of SPring-8, with the approval of the RIKEN SPring-8 Center (Proposal Nos. 20150068 and 20160027). This work was supported by the  Chiba University SEEDS Fund (Chiba University Open Recruitment for International Exchange Program). The authors would like to thank  Prof.
07 ppm). Coupling constants, J, were reported in Hertz (Hz) and refer to apparent peak multiplicities and not true coupling constants. The abbreviations s, d, dd, t, q, br and m stand for resonance multiplicities singlet, doublet, doublet of doublet, triplet, quartet, broad, and multiplet, respectively. Allylation diastereoselectivity was determined by 1 H NMR integrations of the methylene signals in the crude products. High resolution mass spectrometry data were recorded with an accuracy within 5 ppm on a quadrupole-TOF mass spectrometer (Xevo Q-Tof, Waters, Guyancourt, France) using an electrospray ionization source operating in positive mode. Thin-layer chromatography (TLC) was carried out on aluminum sheets pre-coated with silica gel plates (Fluka Kiesel gel 60 F254, Merck, Bucharest, Romania) and visualized by a 254 nm UV lamp and potassium permanganate.
Acknowledgments:  University of Versailles St Quentin, MENRT-France , and  LabEx CHARMMMAT  ( ANR-11-LABEX-0039 ) are gratefully acknowledged for financial supports and grant (BL). Author Contributions:  Benjamin Large  and  Damien Prim  performed the experiments,  Anne Gaucher ,  Aurélie Damond  and  Flavien Bourdreux  analyzed the data. Damien Prim wrote the paper.
Clinical trials did not show an impact of body weight on the safety and efficacy of icatibant, and dosing is not adjusted by body weight. However, the effect of body weight on treatment outcomes has not been evaluated in the real-world setting. Body weight can have an impact on the pharmacokinetics and pharmacodynamics of a drug and, subsequently, its effectiveness. In addition, the relationship between body weight and the characteristics of C1-INH-HAE attacks is not known. The Icatibant Outcome Survey (IOS; NCT01034969) is an ongoing international observational study that monitors the safety and effectiveness of treatment with icatibant. In this analysis, the relationship between body mass index (BMI), attack characteristics, and icatibant treatment outcomes in patients with C1-INH-HAE type I and type II receiving icatibant was investigated in the realworld setting.
Study design Details on the design and conduct of IOS are described elsewhere  [6]. Patients were enrolled from 51 sites in 11 countries: Brazil, Israel, and across Europe. In this analysis, data from icatibant-treated patients with C1-INH-HAE type I or II were obtained from patients who entered the study between July 2009 and February 2016. Patients were divided into groups according to their BMI at baseline (i. e. , before enrollment): underweight (< 18. 5 kg/m 2 ), normal (18. 5 to < 25. 0 kg/m 2 ), overweight (25. 0 to < 30. 0 kg/m 2 ), or obese (≥ 30 kg/m 2 ). Details regarding the characteristics of icatibant-treated C1-INH-HAE attacks and the use of any concomitant or rescue medications, including C1-INH, were collected via physician-completed electronic forms at routine visits (recommended every 6 months).
Treatment outcomes included time to treatment (time from attack onset to icatibant injection), time to resolution (time from icatibant injection to complete symptom resolution), and attack duration (time from attack onset to complete resolution of symptoms). A mixed-model analysis of repeated measures (PROC MIXED; SAS Institute Inc. ) was used to compare mean time to treatment, time to resolution, and duration of attack data for patients in the BMI groups using base-10 log-transformed time data (h). The impact of BMI along with sex, age (i. e. , factors that influence BMI), and other patient and attack characteristics on treatment outcomes were analyzed using a generalized linear model of repeated measures with PROC GENMOD (SAS Institute Inc. ). A multivariate model was built using a backward selection process, which incorporated variables from the univariate model with P values < 0.
Patient characteristics The analysis included data from 2697 icatibant-treated attacks reported by 342 patients with C1-INH-HAE for whom baseline BMI data were available. Of the 342 patients, 12 (3. 5%), 153 (44. 7%), 119 (34. 8%), and 58 (17. 0%) had an underweight, normal, overweight, and obese BMI, respectively (Table  1 ). There was a comparable distribution of males and females among patients with overweight or obese BMI, but most patients with normal or underweight BMI were female. Almost half (n = 169; 49. 4%) of the patients were using long-term prophylaxis. There was no difference among the normal, overweight, and obese BMI groups in the type of longterm prophylaxis therapy used.
Characteristic Underweight The IOS database also captured some information on attacks that were untreated. A total of 309 patients reported the occurrence of untreated attacks at baseline, and 182 patients reported untreated attacks at follow-up (Table  2 ). When we compared the duration of untreated attacks across BMI groups, no statistical difference in the mean duration of attack among the three BMI groups was found (P = 0. 408 at baseline, P = 0. 530 at follow-up),.
Structural and Morphological Characterizations The structure and morphology of the recovered powders were characterized by XRD, SEM and TEM. X-ray diffraction was performed for HAp nanopowders before and after zinc ions adsorption from aqueous solution using a Bruker D8 Advance diffractometer (Bruker, Karlsruhe, Germany) with nickel filtered CuKα (λ = 1. 5418 Å) radiation and a high efficiency one-dimensional detector (Lynx Eye type, Bruker, Karlsruhe, Germany) operated in integration mode. The data were collected over the 2θ range of 25-55 • , using a step size of 0. 02 • and 34 s measuring time per step. The morphology of the HAp nanopowders before and after zinc ions adsorption from aqueous solution was investigated by scanning electron microscopy (SEM) using a HITACHI S4500 microscope (Hitachi High Technologies America, Inc.
These results were fully consistent with X-ray diffraction analysis. Figure  5  presents the transmission electron micrographs of pure hydroxyapatite (HAp) and hydroxyapatite recovered after zinc adsorption from aqueous solutions (HApD) containing zinc ions in a concentration of 50 mg/L. The average particle size of the pure HAp was 20 ± 1 nm. The average particle size of the HApD decreased to 17 ± 1 nm, in agreement with the X-ray results. The particles are less elongated. Furthermore, it should be noted that more agglomeration of the particles after Zn ion adsorption was observed. The particle size and morphology changed little after zinc adsorption from aqueous solutions containing 50 mg/L zinc ions. The adsorption data obtained from the batch equilibrium experiments were used in the kinetic studies and the applicability of different adsorption isotherms to Zn 2+ were studied.
Another special property is the negative dilatation coefficient below 4 • C. However, many experimental results are available for water, which facilitates studies based on this solvent. Moreover, the ultrasound speed in water strongly depends on the temperature. This paper presents the experimental results of ultrasonic measurements on water (Wi), zinc contaminated water with 50 mg/L zinc ions (WZn) and water after decontamination (Wd). The time intervals between echoes make it possible to accurately determine the distance between the transducer face and the flat bottom surface of the used aluminum container. The obtained signals were processed using a specialized algorithm implemented in Matlab (Matlab2016). The modeling of the ultrasound wave effect on the analyzed samples was performed with an original model implemented in Comsol-Multiphysics finite elements program.