dataesr/scientific-paragraphs-categorization huggingface dataset:
Acknowledgements S. S. is financially supported by  JSPS Overseas Research Fellowships. The electron diffraction experiments were performed within CzechNanoLab Research Infrastructure supported by  MEYS CR  ( LM2018110 ) and supported by  Operational Programme Research, Development and Education financed by European Structural and Investment Funds  and the  MEYS CR  (Project No. SOLID21 CZ. 02. 1. 01/0. 0/0. 0/16_019/0000760 ). TEM images were collected in the  CIMEN Electron Microscopy Center in Nantes  funded by the  French Contrat Plan État-Région  and the  European Regional Development Fund of Pays de la Loire. We also acknowledge the  Jean Zay/IDRIS GENCI (France)  under project  n°A0080911512  and  Jean Zay Challenge  for allocation of computing time. Louis-Béni Mvélé Eye 'a is thanked for is help in the chemical synthesis work.
Antenna Designs and Simulation To decide on an optimal design that provides a better response in terms of impedance bandwidth, high gain, and narrow beamwidth, various nanoantenna design topologies that are based on a planar microstrip nature and placed on a silicon substrate were studied  [30]. These designs were selected considering the constraints and framework of fabricating tolerances. From the literature review of planar structures, the optimum design was selected to be directional in nature  [31]  and is presented in Figure  2. The three designs (traditional Yagi-Uda, quasi-Yagi-Uda, and nano-thermoelectric junction) were simulated using commercially available electromagnetic software, CST Microwave Studio  [32]. The designs were optimized in such a way that they resonated well at a center frequency of 193.
Antenna Designs and Simulation To decide on an optimal design that provides a better response in terms of impedance bandwidth, high gain, and narrow beamwidth, various nanoantenna design topologies that are based on a planar microstrip nature and placed on a silicon substrate were studied  [30]. These designs were selected considering the constraints and framework of fabricating tolerances. From the literature review of planar structures, the optimum design was selected to be directional in nature  [31]  and is presented in Figure  2. The three designs (traditional Yagi-Uda, quasi-Yagi-Uda, and nano-thermoelectric junction) were simulated using commercially available electromagnetic software, CST Microwave Studio [32]. The designs were optimized in such a way that they resonated well at a center frequency of 193.
The model demonstrates that metals have a massive positive ion from which many free electrons become separated due to delocalization of the valence level of atoms when brought in close proximity to the potential of other interacting atoms. The model also negates long-range interaction among the positive and negative ions while discussing how the interaction is based on instantaneous collisions. The average time associated with these instantaneous collisions of electrons is termed τ, while the velocity and direction of an electron after the collision are dependent on the local temperature distribution  [35]. Details gathered from the Drude model and its incorporation into our simulation software, i. e. , CST-MWS, were adjusted carefully  [36]. Table  1  lists the approximate values of these antenna materials and constants, such as refractive index n, extinction coefficient k, and dielectric permittivity r.
The model also negates long-range interaction among the positive and negative ions while discussing how the interaction is based on instantaneous collisions. The average time associated with these instantaneous collisions of electrons is termed τ, while the velocity and direction of an electron after the collision are dependent on the local temperature distribution  [35]. Details gathered from the Drude model and its incorporation into our simulation software, i. e. , CST-MWS, were adjusted carefully  [36]. Table  1  lists the approximate values of these antenna materials and constants, such as refractive index n, extinction coefficient k, and dielectric permittivity ϵr. All the nanoantennas were excited by a plane wave following the unit cell boundary conditions. The advantage of using the unit cell boundary was that the simulation environment was controlled in terms of mesh assignment, periodic field repetition, and analyzing antenna as a single element while predicting the postprocessing results in infinite array structures afterward.
Further, data on HIF characterizations are variable because of lack of consensus on the in vivo components and their concentrations, different food, drink, and sampling protocols, and the complexity of neural and endocrine responses in the GI tract  [19]. This investigation aimed at characterizing pooled fasted and fed state HIF from the duodenum of 16 volunteers with respect to pH, buffer capacity, osmolarity, surface tension, total protein and phospholipid content, and bile salt compositions and concentrations. The fasted and fed state HIF samples were then used to investigate the equilibrium solubility of 17 representative low-solubility small-molecule drugs, whereof six were confidential industry compounds and 11 were wellknown model drugs. These 11 were chosen for their structural diversity after a comprehensive analysis.
Molecular diversity analysis A dataset of 691 pharmaceutical compounds used on the Swedish market in the year 2001 was used as reference for the molecular diversity analysis. Preparation and description of this dataset has been published elsewhere  [20, 21]. Permanently charged molecules (n = 17) in the reference dataset were not included in the analysis herein. Structures were imported in Maestro (Schrödinger Release 2019-3: Maestro, Schrödinger, LLC, New York, NY, 2019). The dataset of 11 model compounds was compiled from the respective structures if they were present in the reference dataset. If not present, they were imported separately in Maestro as SMILES. The structures were prepared using LigPrep (Schrödinger Release 2019-3: LigPrep) in their neutral form. Descriptors were calculated using QikProp (Schrödinger Release 2019-3: QikProp) in default mode.
Molecular diversity of the drug data set Principal component analysis of the reference dataset with 674 compounds and 12 physicochemical descriptors resulted in two principal components. In total, this explained 73% of the variance in the dataset. The score-and loading plots are presented in Fig. 1a  and b , respectively, where visual analysis of the loading plot suggests that the general property directions in the plots are molecular size in principal component 1 (x-axis) and hydrophobicity in principal component 2 (yaxis). The predicted score plots of the 11 known compounds with HIF solubility in the fasted and fed states are presented in Fig. 1c  and d , respectively.
Discussion This study collected and characterized duodenal HIF from 16 healthy volunteers in fasted and fed states with respect to pH, buffer capacity, osmolarity, surface tension, total protein and phospholipid content, and bile salt compositions and total content. Pooled HIF samples were used to determine equilibrium solubility of 17 low-solubility model drugs (11 known and 6 confidential) in fasted and fed states. The 11 known drugs were physicochemically characterized, and their solubility values in HIF were compared to reported values of: i) HIF solubility, ii) human bioavailability in the fasted and fed states, and iii) FaSSIF and FeSSIF solubility. Principal component analysis of the 11 known drugs predicted them into the chemical space of 674 marketed drugs  [20, 21]. The 11 drugs were fairly well distributed in the hydrophobic chemical space without any extreme data points compared to the marketed drugs; see the score plots in Fig.
The drugs tended to have increased insolubility in the fed state if their solubility was low in the fasted state. This is logical given the inverse correlation between drug lipophilicity and water solubility, where the addition of lipophilic constituents has a larger effect on the solubilization of lipophilic (i. e. low solubility) compounds. Based on the limited dataset in this study, the fed state had an insignificant impact on the equilibrium solubility of those drugs with a fasted state solubility above 30 µg/mL. With the exception of the solubility values of valsartan and bromocriptine in fasted and fed state HIF, equilibrium solubility values in HIF and reported SIF were within a 10-fold difference. This was acceptable considering the large interlaboratory variability (CV% 〈1 6 0) of the water solubility values reported by  Andersson et al.
32 scans were taken for each spectrum with a resolution of 2 cm -1 in the range of 4000-400 cm -1. All spectral corrections, such as background substraction, were carefully performed by Omnic Software. Deconvolution of the amide-I and amide-II bands was performed using Origin ® data processing software. A linear baseline was used. The peak maxima were denoted as the frequencies detected by second derivative analysis. Lorentzian peak function was applied throughout the non-linear fitting process. Quantification of the secondary structures was performed by analyzing the amide-I region. The average percent fractions of the secondary structures were calculated by integrating the area under each deconvoluted peak, and then normalizing to the total area of the amide-I region. At least five specimens of each material were measured by ATR-IR technique, and then analyzed by the deconvolution procedure summarized above to determine the standart deviations for the respective quantities.
Our interpretation has been only based on the peak positions so far. However, the positions of characteristic diffraction peaks of the crystalline PEO are very similar to those of the PEO-Urea α-complex crystal structure. We therefore consider that this should be supported by the quantitative analysis of the results in terms of crystallinity. In an effort to quantify our results, the patterns over a specific angular range of 10°-40° were fitted using Origin ® data processing software to a linear combination of a Lorentz function for the amorphous halo and Pearson functions for the crystalline peaks, which is a widely accepted fitting procedure for such materials in the literature. 41, 53 The total crystallinity values of the samples were calculated as XRD χc = [Ic / (Ic + Ia)], where Ic and Ia are the integrated intensity of all crystalline peaks and of the amorphous halo, respectively.
The resulting xerogel was crushed in a mortar and calcined in air at 500 °C for 5h (heating rate 10 °C min -1 ). The samples are labeled SixAlyNiz, where x, y and z represent the nominal SiO2, Al2O3 and NiO weight loadings, respectively. The overall oxide yield was better than 90 % in all cases. The as-prepared materials appeared either as fine powders (more than 45 wt % of Al2O3) or as coarse powders with larger particle sizes (less than 45 wt % of Al2O3). The atomic percentages of Ni, Si and Al were obtained by energy dispersive X-ray spectroscopy (EDX). Measurements were carried out using an X-Max Silicon Drift detector mounted on an FEI Quanta FEG 200 scanning electron microscope. To obtain reliable results in the analyses, the data for each sample is the average of three separate measurements.
MALDI-MS imaging Eight-micron-thin sections were created from frozen tissue using a Microm HM 550 Thermo Scientific cryotome (Microm International GmbH, Walldorf, Germany) at -18 °C for the specimen and -20 °C for the chamber. Sections were deposited onto a MALDI stainless steel support and allowed to thaw under vacuum desiccation for 1 h. Immediately before MALDI-MS analysis, an α-cyano-4-hydroxycinnamic acid (LaserBioLabs, France) matrix (5 mg ml -1 in CH 3 CN/H 2 O, 70/30 (V/V)) was sprayed onto the tissue section using a SunCollect SunChrom sprayer. MALDI-MS images were acquired on the RapifleX Analyzer (Bruker, Germany), and data were processed using FlexImaging software (MSI imaging, Bruker). Ovarian section imaging was performed under linear positive mode in the mass range of m/z 200-1,000 with a spatial resolution of 100 µm and laser intensity at 40% of full laser power.
1 ng mg -1 ) and the quantitative data acquisition provided essential information. LA-ICP MS imaging detected Pt in all ovaries resected after HIPEC and showed that Pt penetrated more deeply than revealed by MALDI-MS. Platinum was detected in various concentrations ranging from 0 to 5 ng mg -1 in patients one, two, and five and from 0 to 20 ng mg -1 for patients three, four, and six. Our data showed that the distribution of platinum and its concentration were independent of the concentration of the chemotherapeutic bath. However, more intriguing was the difference in the Pt distribution in the ovaries of patients who received an intravenous platinum-based chemotherapy before HIPEC (P1, P3, P4, and P6) from patients who did not (P2, P5). Whereas Pt was detected in ovaries from patients that received previous adjuvant platinum chemotherapy, no Pt was detected before HIPEC in the ovaries of two patients who did not received this therapy.
Acknowledgments: We thank all of the participants for their contributions to this work. We thank the members of the  LMP Laboratory of Montpellier University  for access to the MALDI mass spectrometer. We also acknowledge  Aquitaine Region and Feder  for the funding of the laser ablation system through the  AQUITRACE  project (convention number  20131206001-13010973 ). Research funding:  Aquitaine Region  and Feder are acknowledged for the funding of the LA-ICP MS system under the  AQUITRACE  project (convention number  20131206001-13010973 ).
The structure was solved by Patterson methods using the program SHELXT  31  and refined using SHELXL  32  in space group P21/c with a = 22. 9690(10) Å, b = 8. 1561(3) Å, c = 8. 6458(3) Å, β = 100. 575(4)° and volume = 1592. 17(11) Å 3. The final anisotropic full-matrix least-squares refinement on F 2 with 209 variables converged at R1 = 4. 88%, for the observed data and wR2 = 13. 88% for all data. CCDC 2052663 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www. ccdc. cam. ac. uk/data_request/cif. Polarised optical microscope (POM) measurements were obtained using a Linkam LTS 350 hot stage and controller and an XPL3202 polarising microscope with digital camera measurements carried out in transmission using a 5 micron cell.
The neutron scattering measurements were performed using the direct geometry, cold neutron, time-of-flight, time-focusing spectrometer IN6, at the Institut Laue-Langevin (ILL, Grenoble, France). An optimized sample thickness of 0. 2 mm was considered, relevant to the minimization of effects like multiple scattering and absorption. The temperature-dependent QENS and GDOS ‡ spectra were collected using an incident neutron wavelength of 5. 12 Å (Ei ≈ 3. 12 meV), offering an optimal energy resolution at the elastic line of ∼ 0. 07 meV. Data were reduced, treated and analysed in a similar way as was done in our closely related work on conjugated polymers. 33.
Acknowledgements The ILL is thanked for providing beam time on the IN6 spectrometer. Prof. Andy Cooper  at the  University of Liverpool  is thanked for discussion regarding the FS materials. A. A. Y. G. acknowledges  EPSRC  for the award of an  EPSRC Postdoctoral Fellowship  ( EP/P00928X/1 ). Z. S. P. and C. B. N. acknowledge support from the  Academy of Medical Sciences & Wellcome Trust  ( SBF002/1158 ) and the  Materials Research Institute.
Fused Deposition 3D Printing 3D printing was carried out using the fused deposition fabrication method, with a Tumaker Voladora NX printer (Figure  1a ) paired with a Simplify3D software. Printing parameters were optimized for the prepared systems (Table  1 ). Designed models for 3D printing were dog-bone specimens (Figure  1b ). Infill percentage was set at 100% and a rectilinear printing pattern with an angle of 0 • was chosen (Figure  1c ).
The optical density (OD) was measured at 570 and 600 nm in a spectrophotometer (Synergy HT spectrophotometer, Biotek, Winooski, VT, USA)) at different time points (0, 24, 48 and 72 h). The viability of the cells was calculated from equation 1. All assays were conducted in triplicate and average values and their standard deviations were calculated. For the in vitro biocompatibility assay, a two-way analysis of variance (ANOVA) followed by Bonferroni post-test was performed using GraphPad Prism software (San Diego, CA, USA). The results were expressed as mean ± SD and values of p < 0. 05 were considered statistically significant with respect to the positive control. All assays were conducted in triplicate.
Acknowledgments: Authors thank the  University of the Basque Country (UPV/EHU)  ( GIU18/216 Research Group ). We also acknowledge the " Macrobehavior-Mesostructure-Nanotechnology " SGIker unit from the  UPV/EHU , for their technical support. T. C. -C. thanks the  UPV/EHU  ( ESPDOC19/41 ).
Note that cell immobilization in alginate beads was also carried out but no positive results were obtained (data not shown). Time evolutions of cell density, EMn and dissolved organic concentrations are given in Fig. 2. For biomass concentration, only values at t o (4. 13 × 10 7 cell L -1 for passive; 4. 18 × 10 7 cell L -1 for active culture) and t end (cell death) were carried out. Regarding immobilization, cell death was observed at day 9 whatever the passive or active culture. Immobilized cell culture being demonstrated elsewhere, this could be attributed to our growing conditions (see below). Our experiments, however, were found to be sufficient for estimating marennine production. Both culture techniques revealed maximum production at day 4, with 3. 7 ± 0. 34 mg EMn L -1 and 4. 5 ± 0.
Silicon, nitrogen and phosphorus consumption Silicon and phosphorus consumption was investigated during the semi-continuous culture (data not shown). All nutrients were found to decrease, as expected. Nitrate decreased to 57% of its initial concentration (1. 73 mM) but without deprivation, with a final concentration of around 1 mM. Phosphate and silicon dioxide concentrations showed a marked decrease and could therefore be suspected of limiting cell growth (around 0. 7% of the initial concentration after 4 days). Time evolutions of the main nutrients enabled us to determine the substrate consumption rates (r S ), specific substrate consumption rates (Q S ) and yield factor (Y X ) for NO 3 -, PO 4 2-and SiO 3 2-(Table  1 , see also  [18]  for calculation details). PO 4 2-and SiO 3 2-consumption rates were found to be respectively 1.
Acknowledgements We are very grateful to the  AMI (Atlantic MIcroalgae) scientific consortium  and the  Pays de la Loire region (France) , who have supported our research. This publication has also benefited from  European Commission  funding under the  Horizon 2020 Research and Innovation Program GHaNA  (The Genus Haslea, New marine resources for blue biotechnology and Aquaculture). We would also like to acknowledge  Hélène Marec  and  Emmanuel Dechandol  for the instrumentation and implementation of the culture system. We would like to thank  Vladimir Heredia Marquez ,  Jérémy Monlyade  and  Alexandra Busnel  for their constant constructive discussions.
Acknowledgements: The authors acknowledge the funding received from the  European Union 's  Horizon 2020 research and innovation programme  under the  Marie Skłodowska-Curie  grant agreement No 861061 -Project NEWFRAC. The authors are also indebted to  Roman Papsik ,  Josef Schlacher  and  Raul Bermejo  for their knowledge of micro-scale experiments which they kindly shared.
The roughness of the TSA coatings was measured by 3D profilometry (Alicona InfiniteFocusSL and Alicona Imaging GmbH Software, Bruker Alicona, Austria). Porosity of the coatings was determined by image analysis (ImageJ Software), using threshold colour tool on SEM images of cross sections. These measurements were repeated three times. In order to study the corrosion behaviour of the TSA coatings, three types of samples were prepared for electrochemical tests: a) TSA coating (named TSA), b) TSA coating with a nominal 5 % of surface area defect (named TSA5), and c) a bi-electrode recreating the TSA coating with a nominal 5 % of surface area defect where TSA and steel parts are isolated (named TSA5B). The size of the defect on these samples was chosen to represent damage of coatings in transportation/installation of structures and possible deterioration during service.
Electrochemical corrosion tests Corrosion performance of TSA coatings in fully immersed conditions was evaluated by several electrochemical techniques. All measurements were carried out with in-house artificial seawater following ASTM D1141 as electrolyte, in stagnant conditions and at ambient temperature (18 ± 3 • C). A three-electrode configuration cell was used with the TSA samples as working electrodes, a Pt/Ti wire or mesh as counter electrode and an Ag/AgCl (sat. KCl) as a reference electrode. Therefore, all potentials presented in this paper are with respect to the Ag/AgCl (Sat. KCl) electrode (E ref = +0. 199 V vs SHE, i. e. -0. 045 V vs SCE at 20 • C). For electrochemical measurements, two different potentiostasts/galvanostasts were used: a Biologic VMP3 with an EC-Lab software for analysis (Bio-Logic Science Instruments); and a Gamry Interface1000 with Gamry Analyst software for analysis (Gamry Instruments).
The frequency range for each scan was from 100 kHz to 20 mHz, with a 10 mV peak-to-peak sinusoidal voltage and 10 points per decade. The EC-Lab software (Bio-Logic) was used to fit the impedance spectra collected using electrical equivalent circuits. The deviation between experimental data and calculated spectrum was evaluated based on the chi-squared values (χ 2 ). Therefore, after several fitting processes, the circuits providing the smallest values of χ 2 where chosen. The bi-electrodes were used to study independently (via EIS) the electrochemical processes taking place on the TSA coated part (mainly anodic) and on the steel part/defect (mainly cathodic). The evolution of the OCP of the whole electrode was monitored over time. It must be noted here that this OCP is a mixed potential, intermediate between the potential of the steel part and the potential of the TSA coated part.
8 nm). The power of the laser was reduced between 1% and 25 % to prevent excessive heating of corrosion deposits. Finally, X-ray diffraction (XRD) analysis was performed. The equipment used was an Inel EQUINOX 6000 diffractometer (Thermo Fisher Scientific, Waltham, MA) with a CPS 590 curved detector that can simultaneously detect the diffracted photons on a 2θ range of 90 •. Acquisition parameters used were a constant angle of incidence of 5 • , using the Co-Kα radiation (λ =0. 17903 nm) during 45 min. The different phases were identified using the ICDD-JCPDS database.
EIS study of corrosion of TSA in seawater Corrosion performance of TSA coatings was also evaluated by EIS measurements. Fig. 5  shows the Nyquist and Bode diagrams of the three samples under study. EIS data was recorded at different immersion times in artificial seawater at room temperature. For all measurements, the application of the Kramers-Kronig relationships revealed that the impedance values measured at low frequencies (below 30 mHz) were not reliable, therefore those were neglected for the modelling of the curves. The points represent experimental data, and the solid lines the fitting curves for each spectrum. Fig. 6  shows the electrical equivalent circuits (EEC) used to fit the various experimental EIS data. It must be noted that the CPE/R elements used on the EEC of Fig. 6 (a) and (b) correspond to the TSA-solution interface.