dataesr/scientific-paragraphs-categorization huggingface dataset:
The agreement between NDIR sensors and OP-laser was done by averaging out data from different number of NDIR sensors, i. e. , 5, 3, 2 and 1 over a time integration interval of 1 h, and comparing with the path averaged concentration measured with the OP-laser. The analysis of agreement between NDIR sensors and PAS analyzers was done using data from both instruments collected at approximately the same point in the barn, also averaging data based on a time integration of 1 h.
Acknowledgments This project was financed by the  Dutch Ministry of Economic Affairs  and the  Dutch Dairy Board  within the  Program "Duurzame Zuivenketen ". The authors would also like to acknowledge the Brazilian government funding agencies:  CNPq (Portuguese acronym for National Council for Scientific Research and Development) ,  CAPES  ( Portuguese acronym for Council for Improvement of Highly Educated Personnel ) and  FAPEMIG  (Portuguese acronym for the Foundation for Support of  Scientific Research in the State of Minas Gerais-Brazil ) for supporting researchers. Gratitude is acknowledged to  Johan Ploegaert  and  Jos Huis  in t Veld from the  Wageningen UR Livestock Research Institute  for their great contribution to experiment setup, data collection and monitoring system maintenance.
Images were collected using microscope soware Soware: MetaMorph 7. 8. 2. 0. The subsequent analysis of the images was conducted on an open source image processing program ImageJ. Fluorescence activated cell sorting analyseseffect of the pHi on the uorescence intensity of the H-Rubies For the dose-response curve, F98 cells were incubated with various concentrations of the H-Rubies in DMEM/F-12 culture medium without serum at 37 C for 2 h. The cells were then washed with PBS to remove excess extracellular H-Ruby and were then treated with 0. 05% Trypsin-EDTA for 2 min at 37 C to detach cells from the surface, and centrifuged at 200 g in DMEM/F-12 culture medium before suspension in PBS. Flow cytometry analyses were performed with live cells using an Accuri C6 ow cytometer (BD Biosciences, Le Pont de Claix, France).
For acquisition a 488 nm wavelength laser was used for H-Rubies excitation, the uorescence emissions were recorded in a 584 AE 20 nm spectral detection channel. Data were obtained and analyzed using CFlow Sampler (BD Biosciences). Live cells were gated by forward/side scattering for a total of 10 000 events. The pHi of F-98 cells was modied using the pseudo-null calibration method describe by Chow et al. 49  F98 cells were incubated with 1 mM of H-Rubies in DMEM/F-12 culture medium without serum at 37 C for 20 min. The cells were then washed with PBS to remove excess extracellular probe and were then treated with 0. 05% Trypsin-EDTA for 2 min at 37 C to detach the cells from the surface, and centrifuged at 200 g in DMEM/F 12 culture medium before suspension in culture medium. Just before the analysis the pseudo null solution were added (ratio of culture medium: pseudo-null solution 1 : 1) and the data were acquired immediately (within 30 s).
Pseudo-null solutions were made according to the method of Chow et al. Six times concentrated standard solution was made by adding 1 M ammonium hydroxide and 1 M acetic acid to the basal solution (culture medium). This provided a set of pseudo-null solution as shown in Table  S1  (see ESI †). Flow cytometry analyses were performed with live cells using an Accuri C6 ow cytometer (BD Biosciences, Le Pont de Claix, France). Data were obtained and analyzed using CFlow Sampler (BD Biosciences). Live cells were gated by forward/side scattering for a total of 10 000 events.
Acknowledgements G. D. and A. Z. benetted of post-doctoral fellowships from the  Pierre Gilles de Gennes foundation. C. T. was supported by the  Région Rhône Alpes  by an emergence fellowship. We would like to thank  Jean-Marie Carpier  ( Institute Curie, U932 ) for his help with imaging,  Dr. Sandrine Sagan  and  Dr Fabienne Burlina  ( Laboratoire des biomolecules, UMR CNRS 7203 ) for the toxicity assays. We also acknowledge  PICT-IBiSA (Institute Curie ), member of the  France-BioImaging national research infrastructure. This work was supported by the  Fondation Pierre-Gilles de Gennes  (to S. A. , A. F. and J. M. M. ), the  European Research Council  ( 2013-AdG No. 340046 ), la  Ligue Nationale contre le Cancer  ( EL 2014. LNCC/SA ) and the  French Agence National de la Recherche  ( ANR P3N , nanoFRET2 grant to A.
Fluids selection and solutions preparation for the absorption tests Absorption tests with liquid phases of different l a and rheological behaviours were performed, including those operational conditions mimicking the operation of ADs. The fluids to be used were selected based on having different rheologies, published l a data availability and stable l a to pH variations. Glycerol (P98%; Fisher Scientific, Loughborough, UK) and carboxymethyl cellulose sodium salt (CMC) (M W = 700,000; Sigma-Aldrich, Dorset, UK) were chosen as Newtonian and non-Newtonian fluids, respectively. The l a of the solutions tested was obtained from the studies of Segur and Oberstar  [22]  and Eshtiaghi et al. [6]  for glycerol and CMC, respectively. CMC solutions with high polymer concentration (>1%) can exhibit a shear thickening or shear thinning behaviour as a function of shear rate ð _ !Þ  [24].
Reaction 1 In direct competition with the dehydration reaction is the C-C bond fission reaction: Previously, the dehydration rate of tertiary-butanol was determined by a direct technique where radical reactions could be neglected. Temporally resolved reactant and product species Reaction 2 measurements in an isothermal flow reactor were used to determine a reaction rate  2. The data showed that in the case of tertiary-butanol, the dehydration reaction rate is approximately a factor of ten larger than the rate of the radical initiating C-C bond fission reaction. This attribute has been shown to be important in diffusively controlled combustion, where the dehydration reaction for tertiary-butanol was found to contribute as much as ~80% of the destruction of the fuel  12. To further isolate the contributions of the dehydration reaction in experimental fuel pyrolysis studies, radical terminating components can be added to reduce the effects of the secondary radical chemistry.
Numerical Results for Isopropanol Decomposition The experiments at 976, 978, and 999 K are used to determine the dehydration and C-C bond fission rate constants at each of the respective reaction conditions. The cumulative and histogram results of the Latin Hypercube sampling are given in Figure  4  (a) and Supplemental Material. The experimental data are found to well constrain the determination of the dehydration reaction rate for all reported experiments. In all cases, the data and simulation comparisons poorly constrain the determination of rate constant values for the C-C bond fission. The average percent uncertainty for the dehydration reaction is 6%, while that for the C-C bond fission reaction is the order of a factor of two. The large uncertainty for the C-C bond fission results is due to the ill-conditioning of the objective function to the experimental data (i.
Data presented in Fig. 3  were obtained using a Bruker D2 PHASER. Powder neutron diffraction data were collected with the GEM diffractometer at the ISIS source. Rietveld refinements used the GSAS/EXPGUI package  [18]. Scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) analysis were obtained with a JEOL JSM 6500F. Samples were prepared by dispersion of dry powders onto carbon coated stubs. Surface areas of the degassed samples were evaluated by application of the BET method to N 2 physisorption isotherms determined with the use of Micromeritics Gemini surface area analyser. N analyses were undertaken by combustion using an Exeter Analytical CE-440 elemental analyser (the error on the experimental analyses is 0. 3 wt%). N analyses of as synthesised and post-reaction samples are shown in Table  1  and generally demonstrate a close agreement to the values expected on the basis of stoichiometric considerations confirming the formation, and stability, of the nitrides.
Acknowledgements JSJH, ALH and WL would like to acknowledge the  EPSRC  for funding through their generous provision of linked grants  EP/J018384/1& EP/J019208/1. MR would like to acknowledge  Gay Lussac  graduate school for financing part of her stay at the  University of Glasgow. STFC  is gratefully acknowledged for use of the GEMExpress service at ISIS as well as  Dr Ron Smith  for collecting the powder neutron diffraction data. Mahboba Hasan  carried out preliminary citrate gel syntheses of Ni 2 Mo 3 N. The authors would also like to express their gratitude to  Mrs Kim Wilson  of the  School of Chemistry at the University of Glasgow  for very kindly undertaking the nitrogen analyses reported in this work. Finally, but by no means least, JSJH would like to express his sincere and deep appreciation to  Professor Jacques Vedrine  for the many acts of kindness and pieces of advice he has given over the years.
Characterization of the cholinium ion gels The 1 H NMR measurements were carried out on a Bruker AC-400 instrument with the following experimental conditions: spectral width 20 ppm with 32 K data points, flip angle 90, relaxation delay of 18 s, digital resolution of 0. 24 Hz/pt. Thermogravimetric analysis (TGA) was performed by using a TA instruments Q500 device. The samples were heated from room temperature to 800 1C with a heating rate of 10 1C min À1 under air. Differential scanning calorimetry (DSC) experiments were performed on a TA Instruments Q2000. The sample materials were enclosed in non-recyclable aluminium hermetic pans, the sample masses being in the range of 5-10 mg. The samples were first heated to 150 1C with a heating rate of 10 1C min À1 and kept isothermal for 5 minutes.
The experiment was performed using a 2-electrode Swagelok s cell in which a coin-like shape membrane was sandwiched in between two stainless steel pistons. Samples were exposed to different temperature in an environmental chamber (BINDER, Model MK 53 (E2)) interfaced with APTCOM3 software. Each temperature was stabilized for at least 1 h before each measurement. The frequency range was varied from 1 MHz to 10 MHz at the bias voltage of 0 V with a potential amplitude of 10 mV. Ionic conductivity (s) for each temperature was calculated using the following expression; s (S cm À1 ) = t/R Â A, where, t is the thickness of the membrane (cm), A is geometrical area of the membrane (cm 2 ) and R is the resistance calculated by the intercept of the curve with the real axis on a Nyquist plot (O).
23 CG recordings were performed by placing one electrode on each wrist of a healthy volunteer to form a bipolar Limb Lead I derivation, one of the 12 ECG lead configurations used in clinics. 28, 29  To avoid any loose of contact due to the possible mechanical displacement of the electrode connected to electrical wires during long-term evaluations, the electrodes were fixed to the skin with 3 M Steri-Strip and a protective bandage was rolled around each wrist. The ECG was then recorded for 48 seconds several times a day during 72 hours. The CardioTOMM acquisition system was provided by Microvitae Technologies. Signals were then filtered and processed by LabVIEW software using a standard wavelet approach.
In the case of the set-ups, A (glucose as only carbon source, no addition of LW), B (ratio glucose/LW = 15/5), and C (ratio glucose/LW = 10/10), a significant increase in PHA concentration was observed. Starting from a concentration of 1 g/L, final concentrations of about 9 (A), 8 (B), and 6 (C) g/L were measured. Regarding the set-ups D (ratio glucose/LW = 5/15), PHA concentration increased to about 3 g/L. Data for the intracellular mass fraction of PHA in CDM were calculated as follows (g PHA/g CDM): 78. 8 (set-ups A), 78. 7 (set-ups B), 68. 0 (set-ups C), 46. 6 (set-ups D), 20. 0 (set-ups E), and 14. 5 (set-ups F). Yields for PHA production from carbon sources amounted to (g/g): 0. 43 (set-ups A), 0. 36 (set-ups B), 0. 24 (set-ups C), 0. 08 (set-ups D); in set-ups E and F, the final values for PHA were lower than at the beginning.
In the case of the set-ups, A (glucose as only carbon source, no addition of LW), B (ratio glucose/LW = 15/5), and C (ratio glucose/LW = 10/10), a significant increase in PHA concentration was observed. Table  1  shows the data for polymer composition, molar mass distribution (weight average molar mass M w , number average molar mass M n , polydispersity Ð M ) and thermal characterization (T m , T g , T c ) of the obtained polyesters. As expected, the highest molar masses and highest melting temperatures were displayed by the homopolyester PHB (set-ups "A"). Melting points decreased in parallel with the slight increase of the 3HV content in the polymers isolated from the setups B and C as determined via GC-FID. This is also true for setups D and E, where, due to the inhibiting effects of LW, no polymer accumulation took place during the phase of nitrogen limitation.
It is well visible from Figure  2  that considerable amounts of PHA (around 30% in CDM) were already produced during the phase of balanced growth; this "partially growth associated PHA formation"  [27]  was observed from 0 h to 12 h. At the end of the experiment (t = 23. 5 h), CDM and PHA were determined with 80. 3 g/L and 60. 5 g/L, respectively; this corresponds to a PHA content in biomass of 75. 3%. The volumetric productivity for PHA amounted to a value of 2. 84 g/(L h) for the entire production process; this is significantly higher than data obtained in similar laboratory production setups using C. necator on glucose plus complex growth additives (maximum values 0. 65 g/(L h); see  [28] ). At the end of the fermentation, the share of 3HV in PHA, caused by the addition of LW, amounted to 0.
Starting from a concentration of 1 g/L, final concentrations of about 9 (A), 8 (B), and 6 (C) g/L were measured. Regarding the set-ups D (ratio glucose/LW = 5/15), PHA concentration increased to about 3 g/L. Data for the intracellular mass fraction of PHA in CDM were calculated as follows (g PHA/g CDM): 78. 8 (set-ups A), 78. 7 (set-ups B), 68. 0 (set-ups C), 46. 6 (set-ups D), 20. 0 (set-ups E), and 14. 5 (set-ups F). Yields for PHA production from carbon sources amounted to (g/g): 0. 43 (set-ups A), 0. 36 (set-ups B), 0. 24 (set-ups C), 0. 08 (set-ups D); in set-ups E and F, the final values for PHA were lower than at the beginning. Volumetric productivities were calculated as follows (g PHA/L h): 0. 36 (A), 0. 30 (B), 0. 20 (C), 0. 07 (D) (no valued for set-ups E and F, because lower final PHA concentration than start concentration).
Acknowledgments The work was financially supported by  FFG ,  SFG  and the industrial partner BASF SE in the ongoing research project  MacroFun P3 "Microbial Materials" (Austrian COMET  project). The authors are thankful for support for the research initiative " Biopolymer property dependence on production conditions " (bilateral project between Austria and Slovenia for enhanced mobility of researchers between the countries;  SI 02/2009 ) and the  EU-FP7  project  ANIMPOL ("Biotechnological conversion of carbon containing wastes for eco-efficient production of high added value products ", Grant No. 245084 ). Further, the authors are grateful for the laboratory assistance of the student collaborators  Maja Kerovec  and  Rodrigo dos Santos Raposo. Graphical Abstract: The authors are thankful for the electron microscopic pictures of C.
The Pd species was determined by HRTEM (Figure  7 ). The presence of palladium in each analyzed area was confirmed by EDS analysis. The lattice fringes were measured directly on the image using high magnifications view. The palladium species were then identified using a database of powder diffraction patterns. The results show that palladium (3) is present under the PdO oxidation state and the size of these particles varies between 2. 5 and 3. 1 nm.
Details of MIP-SAW sensor The developed SAW sensor consists of a dual delay lines fabricated on a 36° YX-LiTaO 3 piezoelectric substrate with an operating frequency of about 104 MHz. The measurement setup consists of a functionalized SAW sensor, a Kalrez® flow cell, a PMMA sill including inlets and outlets connected to a peristaltic pump, and a homemade pulse measurement system  [10]. Electrochemical measurements were carried out using portable PG581 potentiostat apparatus interfaced with PG581software. A conventional three-electrodes system was used with a steel grid as auxiliary electrode, an Ag/AgCl electrode as the reference one, the working electrode was the SAW sensing area (S = 22 mm 2 ). All experiments were carried out at room temperature. MIPs electropolymerization was carried out by chronoamperometry (CA) using a 10 -2 M FLU template solution, which was in 10 -1 M tetrabutyl ammonium tetrafluoroborate (tBuNBF 4 ) and in 10 -1 M pyrrole.
Results and discussion Heat capacity (Cp) measurements were carried out with a standard QD PPMS device by a relaxation method using a two-tau model. Data were collected from 2 to 10 K at several magnetic fields between 0 and 50 kOe (Figure  1 ). In absence of an external magnetic field, when the temperature is lowered, the Cp value starts to increase below 5 K, showing a shoulder around 3. 4 K. Then, a strong increase down to 2 K (ΔCp=13 J/Kmol) is detected. The first anomaly (3. 4 K) does not have the typical behaviour of a second-order transition, but it can be associated with the establishment of a threedimensional antiferromagnetic ordering, in good agreement with magnetic susceptibility measurements  [5]. In addition, the strong increase down to 2 K could be related to a possible additional magnetic transition at lower temperatures.
Characterization Techniques Powder X-ray diffraction (XRD) patterns were recorded on a Bruker D8 X-ray diffractometer (Champs-sur-Marne, France) at room temperature with CuKα radiation (λ = 1. 5418 Å). The diffractograms were recorded for 2θ values comprised between 5° and 80° using a 0. 04° step with an integration time of 2 s. The diffraction patterns were indexed by comparison with the Joint Committee on Powder Diffraction Standards files (JCPDS). XPS experiments were performed using an AXIS Ultra DLD Kratos spectrometer (Manchester, UK) equipped with a monochromatised aluminum source (Al Kα = 1486. 69 eV) and charge compensation gun. All binding energies were referenced to the C 1s core level at 285 eV. Simulation of the experimental photopeaks was carried out using a mixed Gaussian/Lorentzian peak fit procedure by means of the CasaXPS software.
Acknowledgments The Chevreul institute ( FR 2638 ),  Ministère de l'Enseignement Supérieur et de la Recherche ,  Région Nord-Pas de Calais  and  FEDER  are acknowledged for supporting and funding this work. The  French Agency for Sustainable Development, ADEME , is also acknowledged for its financial support through CORTEA program  n°11-81-C0108. This work was also supported by a grant from the project  PHC CEDRE 2015 N° 32933QE. D. C. acknowledges the award of a doctoral fellowship from the  Agence Universitaire de la Francophonie (AUF)-Région du Moyen-Orient.
The PADC modelling The PADC medium is here modelled as an assembly of its monomer (C 12 H 18 O 7 , M = 274. 27 g. mol -1 )with a density of 1. 32 g. cm -3. The electronic structure calculations were carried out in the gas phase using the Gaussian 09 ab initio quantum chemistry software package  (Frisch et al. , 2009) , without symmetry constraints imposed during geometry optimization. The PADC monomer electronic ground state was described using the restricted Hartree-Fock (RHF) method with the 6-311G triple-zeta Gaussian basis sets implemented in Gaussian 09. A number of 73 molecular subshells were then modeled, each of them being populated by 2 electrons. They were then expressed by means of linear combinations of atomic wave functions corresponding to the different atomic components, namely, H 1s , C 1s , C 2s , C 2p , O 1s , O 2s and O 2p Clementi-type wave functions.
Discussion and conclusion Using cut-off energy of 10. 31 eV (fixed at the first ionization potential of the PADC monomer as computed using the GAUSSIAN calculation software), the TILDA-V MC simulations presented herein have shown that LEEs constitute an abundant fraction of the total number of ejected secondary electrons along a proton track. Performed for the first time on PADC material, such refined calculations show not only the fact that average initial secondary electron energies are rather small compared to the kinematic limit of secondary electrons (see Eq. (  1 )), but also that those mean energies which are specific to the incident ion energy are different for two same LET values collected on both sides of the Bragg peak. It is especially particularly interesting to note that 10 MeV and 12 keV protons slowed down in PADC with quasi-identical LETs have average ejection energies of their secondary electron distributions of respectively 54.
Cyclic ethers, which are important intermediates formed in the negative temperature coefficient (NTC) region  [31] , were identified and quantified for all five isomers, providing valuable data for the validation of kinetic models in the NTC region. The current study reports newly acquired experimental data for n-hexane and a newly developed kinetic model for n-hexane oxidation. Ignition delay times of stoichiometric n-hexane mixtures in synthetic air (i. e. 21% O 2 and 79% diluent) have been measured both in a rapid compression machine (RCM) and high-pressure shock tube between temperatures of 627-1365 K at a pressure of 15 and 32 bar. To further investigate reactant, intermediate and final species formation, experiments were conducted in a JSR in the temperature range of 530-1160 K at 10 atm.
Species were identified and their concentration were measured as a function of temperature. These data have been used to validate the updated detailed chemical kinetic oxidation mechanism which is also presented here. The current work is an extension of our previous works on n-alkanes, which is a continuous effort to develop the oxidation mechanisms of alkanes in a hierarchical manner. New reaction pathways are adopted in the updated mechanism particularly in the low-temperature region that include alternative isomerization reactions for hydroperoxyl alkyl peroxides, which produce di-hydroperoxyl alkyl radicals that in turn have multiple decomposition channels by analogy to that of hydroperoxyl alkyl radicals. Reaction rates in the updated mechanism are determined from analogy to the rate rules which were previously utilized for n-pentane, but have been slightly modified within the rate constant uncertainty range in order to obtain better agreement with the experimental data.
High temperature mechanism The high-temperature mechanism for n-hexane developed here is based on the n-hexane portion of the n-heptane mechanism proposed by Curran et al. [17]. The high temperature oxidation regime is relatively simple compared to the low-temperature regime. This can be observed from inspection of the lower part of Fig. 4. The pressure-dependent rate constants for the uni-molecular decomposition of n-hexane were calculated based on the estimated high-pressure limit rate constants for radical recombination reactions, using Quantum-Rice-Ramsperger-Kassel/Modified Strong Collision (QRRK/MSC) theory and the CHEMRev software package  [41]. The computationally efficient QRRK/MSC method is employed here since good agreement has previously been obtained between this method and the more precise Rice-Ramsperger-Kassel-Marcus/Master Equation (RRKM/ME) approach for alkane decomposition  [42].