dataesr/scientific-paragraphs-categorization huggingface dataset:
Kinetic Modeling The outlet flow rate curves for methane from SP TAP experiments were modeled using COMSOL Multiphysics, version 3. 5a, and Matlab R2009b to compare predicted and experimental data. The model parameters were optimized using Matlab "fminsearch" function, based on the Nelder-Mead algorithm. Model for methane adsorption implemented 1-D approximation and assumed Knudsen diffusion for a gas-phase species i. The contribution of quartz wool or metal grids was considered in the calculations as separate solid zones. The textural properties were also taken into account in the estimation of the diffusivity constant in the temperature range of 400-550 • C according to earlier model proposals  (Ligthard et al. , 2011)  and contrarily to previous investigations neglecting the macro-mesoporous texture and further related internal diffusion limitations  (Phanawadee et al.
In order to assess the proposed model Eq. (  15 ) and to test whether or not T 3 and T 4 dominate in Eq. (  12 ), we analyzed data obtained earlier in two sets of Direct Numerical Simulations (DNS), which were consistent with the framework of the present study (single-step chemistry, unity Lewis number). One DNS database (flames H, M, and L) was created by Nishiki et al. 19, 20  by simulating weakly turbulent combustion and was analyzed in a number of recent papers cited elsewhere. 21 Another DNS database (flames C and E) was created by Chakraborty et al. 22, 23  by simulating combustion in small-scale intense turbulence (the thin-reaction-zone regime 1 of premixed burning) and was also analyzed in a number of recent papers cited elsewhere. 24 Because the DNS data were already discussed in detail in the literature, we will restrict ourselves to a very brief summary of the simulations.
Acknowledgements E. Ferain  and  C. Douchamps  (from  UCL, Belgium ) and  J. Lecourt  (from  UCBN, CRISMAT ) are thanked for their technical assistance with SEM measurements. A. -C. Faber  (from  UCL, ISV ) is thanked for her technical assistance with epifluorescence microscopy. E. S. benefits from a financial support by  French CNRS  and  Région Basse Normandie  within the frame of " Institut Normand de Chimie Moléculaire, Médicinale et Macromoléculaire ". KG benefits from a "M. I. S -Mandat ULYSSE " from the  Belgium F. R. S. FNRS.
33 The study confirmed the existence of micelles above a critical micelle concentration (approximately 2 mM) that is substantially lower than that seen for the same surfactant in water (8 mM). 34 Small-angle neutron scattering (SANS) data suggested the presence of micelles with an elongated shape rather than spherical, considerably different behaviour to that seen in pure water for this surfactant. Unfortunately the low concentration of the CMC means that the signal to noise ratio of that SANS data limits the amount of information that could be extracted from model fitting. In the present study, we expand on our previous work to investigate a broader range of concentrations and provide greater detail on the morphological behaviour of SDS in choline chloride:urea DES. In addition, we have included measurements aimed at understanding the effect of moderate water content on the self-assembly in this system.
The empty cell scattering was subtracted from each run and data was normalised to the sample transmission, empty beam flux and detector efficiency. The scattering from the solvent (measured without surfactant) was subtracted as a background accounting for the scaled contribution to the incoherent scattering of each sample using SasView. 38 The data was analysed with the indirect Fourier transformation tool (p(r) inversion) and fitted to analytical inverse-space models using SasView. Small-angle X-ray scattering. The SAXS experiments were carried out on the I22 beamline at Diamond Light Source. The set up of the instrument consisted of a monochromated beam at 18. 0 keV, l = 0. 69 Å and a camera length of 6. 684 m. This gave a q-range of 0. 0034 to 0. 35 Å À1. Samples were loaded in glass capillaries of 1.
Results We have performed SAXS and SANS experiments to study the SDS micelle structure within the choline chloride:urea DES and its mixtures with water. Our previous study demonstrated the presence of elongated micelles above the CMC point at low concentrations (up to 25 mM). 33 Here we expand that study and analyse the system for a range of concentrations between the maximum concentration of the previous study and the limit of solubility of the system. The available SAXS data covers a limited q-range (0. 04 to 0. 3 Å À1 ) due to scattering from the beam-stop at low q. This low-q limitation meant that the SAXS data is not appropriate to determine the length of the micelles. Instead we have used this data to constrain the micelle cross-section in the SANS fits rather than to attempt a simultaneous fit.
Model-based fitting Sodium dodecyl sulfate in 1 : 2 choline chloride : urea. As explained above, SAXS data was used to determine the dimensions of the cross-section. Fig. 4  shows the SAXS data and the resulting fits for different concentrations of SDS. The parameters of the cross section of the micelles are presented in the Table  1. The scattering length densities (SLD) for the surfactant tails and the solvents (1 : 2 : n choline chloride : urea : water, n = 0, 1, 2, 4) were calculated and kept constant during fitting. The SLD of the micelle core, corresponding to the tail of the surfactants, was considered to not be affected by solvent penetration. The shell SLD was fixed to 12. 6 Â 10 À6 Å À2 , considering solvent penetration into the shell. 33 This value is an arbitrary choice and   was used to allow the determination of the radius of the micelle core, which was rather invariant with small changes in the shell SLD and/or thickness.
Acknowledgements The authors would like to thank  DLS ,  ILL  and  ISIS  for the awarded beamtime (experiment numbers  SM11392 ,  9-12-399 61  and  RB1510328 ). We are also thankful to  University of Bath Alumni Fund and European Spallation Source  for the funding for A. S. -F. This work has benefited from the  use of SasView (NSF  award  DMR-0520547 ).
Acknowledgments We thank  Laboratoire Léon Brillouin  for beamtimes on PAXY and MUSES. We acknowledge  Airidas Korolkovas  for help at the beam times at LLB and fruitful discussions. Further, we are very grateful for the polarisation tests of the shear device at large wavelengths, performed by  Bela Farago  and  Peter Falus  at the  Institute Laue-Langevin. Financial support from  STINT  under contract number contract No. IG-2011-2067 as well as the Swedish research council under contract No. C0511501  and within the  Swedish infrastructure project Super ADAM  is acknowledged as well.
Results The focus of this study was the characterization of the pH of Tris buffers at below-zero temperatures but e. m. f. measurements were also obtained at 25 and 0 °C for evaluation relative to the existing datasets at overlapping temperature and salinity ranges. We kept this Table  2  The apparent standard potential (E o ⁎ ) and its regression standard error (σ Eo ⁎ ) (both in V) of cells (B) and (C). Values in italics were derived from the salinity and temperature extrapolation of Eqs. (  15 ) and (  16 ) in  Dickson (1990b)  and Eqs. (  17 ) and (  18 ) with the coefficients derived from the combined data sets in  Campbell et al. (1993)  protocol throughout the experimental salinity range (35-100) and report the results at 25 and 0 °C here in order to provide data useful for occasions in sea ice studies when pH measurement at sub-zero temperatures is not possible due to harsh field conditions and restrictions by equipment or method.
Acknowledgements We thank  Makaila Lashomb  for training S. Papadimitriou in the Harned cell protocol,  Britain Richardson  for running the Harned cell at the highest salinities,  Guy Emanuele  for his laboratory support, and  George Anderson  for providing the coulometric measurements and the tickets for the La Jolla Symphony & Chorus concerts. We also thank two anonymous reviewers for their helpful comments. The work was supported by  NERC  grant  NE/J011096/1.
Transmission electron microscopy (TEM) A Jeol 2010F field emission transmission electron microscope (FE-TEM) was operated at 200 keV acceleration voltage. A powder sample was dispersed in chloroform and transferred onto holey carbon foil supported by a 200 mesh copper grid. For statistical evaluation of the primary particle sizes of the supported platinum and platinum/ruthenium alloy particles the I-TEM software of Soft Imaging Systems (SIS), Mu ¨nster, was utilized. The calibration, quality and stability of the TEM system was carried out with the Magical no. 641 standard (Norrox Scientific Ltd. , Beaver Pond, Ontario, Canada). For spot analyses of the supported precious metal particles of the Pt(40%)Ru(20%)/C catalyst energy dispersive X-ray nano-spot-analyses (EDX) were performed using a Noran SiLi detector with a 30 mm 2 crystal and a Noran System Six device.
Computational methods Periodic density functional theory (periodic-DFT) calculations were carried out using the plane wave pseudopotential method as implemented in the CASTEP code. 5 Exchange and correlation were approximated using the PBE functional. The planewave cut-off energy was 830 eV. Brillouin zone sampling of electronic states was performed on 1 Â 8 Â 8 Monkhorst-Pack grid. The equilibrium structure, an essential prerequisite for lattice dynamics calculations was obtained by BFGS geometry optimization after which the residual forces were converged to zero within AE0. 007 eV Å À1. Phonon frequencies were obtained by diagonalisation of dynamical matrices computed using density-functional perturbation theory. 6 The atomic displacements in each mode that are part of the CASTEP output, enable visualization of the modes to aid assignments and are also all that is required to generate the INS spectrum using the program ACLIMAX.
Acknowledgements This work is based, in part, on experiments performed at the  IN1-Lagrange instrument at the Institut Laue-Langevin (ILL), Grenoble, France. The  STFC Rutherford Appleton Laboratory  is thanked for access to neutron beam facilities. Computing resources (time on the SCARF compute cluster for the CASTEP calculations) was provided by  STFC's e-Science facility. Parts of this research were carried out at the light source DORIS III at  DESY , a member of the  Helmholtz Association (HGF).
A longstanding issue when studying the causes of CCV in SI engines is the relative importance of the variability of large-scale coherent structures, and of small scale turbulent fluctuations. A method aiming at addressing this question was proposed by S. Buhl, F. Hartmann and C. Hasse, in their contribution "Identification of Large-Scale Structure Fluctuations in IC Engines using POD-Based Conditional Averaging"  [1]. They propose a method combining POD and conditional averaging, and discuss its application to the analysis of the origins of CCV for two different LES datasets. A key phenomenon for ensuring accurate predictions of SIE combustion is the reproduction of the flow generated during the intake phase. This is the topic addressed by two other papers that describe a combined use of optical diagnostics and LES.
Une méthode pour explorer cette question a été proposée par S. Buhl, F. Hartmann et C. Hasse dans leur contribution « Identification de fluctuations de structure aux grandes échelles dans les moteurs à combustion interne utilisant des moyennes conditionnelles basées sur la POD »  [1]. Ils proposent une méthode combinant analyse POD et moyennes conditionnelles, et illustrent leur application à l'analyse des origines des VCC à l'aide de deux bases de données LES. Un aspect essentiel pour permettre une prédiction fiable de la combustion dans les MAC est la reproduction de l'écoulement généré durant la phase d'admission. C'est la thématique explorée par deux autres articles qui rapportent une utilisation combinée de diagnostics optiques et de LES. Dans leur article « Étude numérique et expérimentale résolue dans l'espace de l'écoulement à travers le conduit d'admission d'un moteur à combustion interne »  [2] , F.
Acknowledgements This research was financed by  FEDER Funds through Programa Operacional Factores de Competitividade -COMPETE  and by  Portuguese Funds through FCT -Fundação para a Ciência e a Tecnologia , within the Projects PEst- OE/MAT/UI0013/2014 ,  PTDC/MAT/121185/2010 , and  UID/CTM/50025/2013. The second author was also financed by project  FCT-ANR/MAT-NAN/0122/2012.
Acknowledgments This work was supported by the  Ministry of Education, Culture, Sports, Science, and Technology, Japan, Japan Science and Technology Agency, KAKENHI  (Grant Numbers  22249003 ,  25253005 , and  25713004 ),  Japan Society for the Promotion of Science, Ministry of Education, Science, and Technology, Serbia  (project  III-41005 ), and  Fondi di Ateneo, UCSC Rome, Italy  (Linea  D1 ). Some of the two photon acquisitions and analysis described in the article were performed at  LabCeMi ,  UCSC ,  Rome. Several authors of this article were supported by the  European Cooperation in Science and Technology  ( COST Action   BM1203/EU-ROS ).
EXAFS measurements and simulations X-ray absorption spectra were collected at the Ir L 3 -edge (11215 eV) on the EXAFS station (BM26A) of the Dutch-Belgian beamline (DUBBLE)  [4]  at the European Synchrotron Radiation Facility (ESRF) in Grenoble, France. The Ir compounds were diluted with boron nitride and measured as pressed pellets in transmission mode at 20 K; at least 2 scans per sample were averaged to improve the signalto-noise ratio. The EXAFS was extracted with Viper  [5]  and simulated with EXCURVE  [6]  by the same approach as in the recent study of Ir complexes with N-heterocyclic carbene and cyclooctadiene or pyridine ligands  [7]. The geometries (distances and angles) of the carbene and cyclopentadienyl ligands were adopted from crystallographic data for 1  [8]  and 5  [9]  and expressed in polar coordinates with the absorber Ir atom at the centre.
Acknowledgment The authors acknowledge the  Chemical Engineering Department, Universiti Teknologi PETRONAS  for their financial support in carrying out this study. A. Foulet acknowledges the assistance provided by  Hamdy Elsayed  and  Mohammad Ismail Hossain  in terms of toxicity assessment. The authors acknowledge  Dr. Yousr Abdelhadi Noaman  assistance in conducting the anti-microbial activity studies. The authors also extend their appreciation to the  Deanship of Scientific Research at King Saud University  for supporting this work through research group no. RGP-303. C. Y. Yin acknowledges support by  Teesside University Research Fund (URF).
Acknowledgements Authors would like to gratefully acknowledge  Pr. Nishimura ,  Dr. Fujiwara  and  Dr. Ono , from  Hydrogenius Laboratory at Kyushu University , for providing EPDM samples and for fruitful discussion. The  French Ministry of Education and Research  is also acknowledged for granting  O. Kane-Diallo 's PhD. This work pertains to the  French Government program  " Investissements d'Avenir" (LABEX INTERACTIFS , reference  ANR-11-LABX-0017-01 ).
The light spot was moved systematically on the sample surface, addressing discrete spots forming 256 × 256 matrix. Therefore, the data were received from different spots due to the light addressing. The photocurrent was registered by selective nanovoltmeter Unipan-237 model. The obtained signal was processed and analyzed by PC. During scanning, the individual response of the illuminated spot appears independently of other area. Therefore, the conception does not need (but does not discard) an array of separate elements. The user of the device determines the quantity, the layout of the elements to be read. With the same device, it can be variable. The possibility to use a substrate without physical separation by individual elements, i. e. , "dynamical array" with variable parameters may be considered as an advantage.
Our main aim is obtaining a possibility of the "predictive" comparison of the signals V(t) for identifying substances. One of the most simple and simultaneously universal ways of solving is the representation of every signal V(t) (therefore, every sensor that gives it), which is stored in the input data matrix, as the point of the space of measurements (space of variables). Every sensor could be represented as a point of the seven-dimensional space (since the repeated measurements are occurred for seven times). Points' clustering in this space will compare and classify them, so it may solve the problem of substances' identification. The amount of clusters will determine the number of different substances. Unfortunately, the pictorial rendition of such space is impossible due to its high dimensionality.
The duration of each tip-in test was designed to be as short as possible to achieve a stable and repeatable engine thermal condition between tests. The target engine load was lowered to settling point within 10 s after tip-in. Both the low-frequency data and high-frequency data were recorded for fixed periods of time covering 5 s before tip-in and 10 s after tip-in. The original fixed geometry turbine (FGT) turbocharger was replaced with a VGT turbocharger. In order to control the VGT actuator on the prototype hardware, a dSpace Micro Auto Box was used. The actuator was cooled using the engine coolant, and the temperature was monitored in dSpace. In transient tests, the user-defined VGT trajectory can be automatically triggered using the pedal position voltage signal from the test facility host system.
The data were logged in three systems: Dewetron (high frequency and combustion analysis), ATI Vision (calibration tool), and CP Cadet (host system). The resolution of the high-frequency data recorded in Dewetron was 0. 5°crank angle, which was equivalent to a maximum sampling frequency of 78 kHz at 6500 r/ min. These data were used for the calibration of the engine combustion system and the turbocharging system. The key sensors used in the experiments are listed in Table  1.
Model validation GT-Power, one of the typical one-dimensional (1D) engine simulation codes, is used in this investigation because of the capability of assessing the overall system performance of the engine with excellent accuracy. Since the engine hardware was available and the engine block geometries were not to be changed in this project, combustion model with extensive predictability was not required. The engine model was calibrated using experimental data performed in the engine speed range of 1000-5800 r/min and BMEP range of 2 bar to full load. The combustion heat release profiles were calculated and used to build a semi-predictive combustion model. The profiles were looked-up and interpolated based on engine speed and instantaneous mass air flow into the cylinders. This is a typical approach to provide both accuracy and fast computational time, provided that the model operates within the calibrated range.
Acknowledgements  R. J. Chimentao  and  M. G. Alvarez  gratefully acknowledges the  Universitat Rovira i Virgili (URV)  and  Spanish Ministry of Science and Technology  for the financial support for the  Juan de la Cierva program  ( JCI-2010-07328 ) and grant  CTQ2012-35789  and  CTQ2006-08196  ( 255-EST-FPI ). We also would like to acknowledge  European Synchrotron Radiation Facility (ESRF)  for the user facil-ities for the in-situ XRD measurements. We also would like to acknowledge  Dr. German Castro ,  Dr. Iván da Silva  and  Dr. Alvaro Muñoz  for the technical support offered at the  ESRF  (experiment MA-1525). J. L. and F. M. are grateful to the  ICREA Academia program.
Acknowledgements The authors thank the  Spanish Ministry of Economy and Competitiveness (MINECO/FEDER)  (Projects Consolider Ingenio  2010 CSD2009-00050  and  CTQ2013-42532-P ) and the  Diputación General de Aragón  ( FSE-E07  and  FSE-E69 ) for their financial support. Dr. P. A. thanks  MINECO  for a Ramón y Cajal contract. M. B. acknowledges his fellowship from  MECD  ( AP2010-0025 ). The authors also thank  Dr. Gloria Subías  for fruitful discussion on the EXAFS analysis.
Materials and Methods Sampling The survey was cross-sectional and targeted women and preschool children in two rural provinces in western and north-western Burkina Faso: the Sanguié province, in the Region of the Centre-Ouest; and the Sourou province, in the Region of the Boucle du Mouhoun. These regions were selected based on a combination of health, agriculture, living conditions and demographics criteria, which included data on sorghum production, household consumption and prevalence of malnutrition. The sampling procedure has been detailed elsewhere  [14]. Children aged 36-59 months were selected because at this age they were consuming family dishes and were less likely to be breastfed. Mothers were recruited along with their children for convenience. Precision of the estimates of sorghum consumption was the main outcome used to calculate sample size.
Dietary data collection and management Two rounds of dietary data collection were carried out: one in the lean season (July 2010) and one in the post-harvest season (December 2010). Since biomarkers were measured only in the post-harvest season, only second round data is used in the present study. Dietary data was obtained by a standard 24-hour recall multiple-pass method which has been reported in a previous article, as well as detailed characteristics of dietary data management  [14] ; therefore, only main points are given hereafter. The 24-h recalls used a set of 21 standard recipes, based on the most commonly consumed staple foods, and other recipes were treated as individual household-level recipes of which the quantities of all ingredients were measured, as were final volume of dishes and quantities consumed by mothers and children.
A pre-determined preferred method of measurement was decided for each food or ingredient (i. e. direct weighing, standard size, calibrated household measures, photos, prices, units, etc. ). At each round, the 24-h recall was repeated on a random subsample of three out of the eight mother-child pairs of each cluster (i. e. 37. 5% of repeated measurements) to allow the estimation of the distribution of typical intakes and calculation of the probability of adequacy of nutrient intakes  [15]. The random selection of the subsample for repeating the 24-h recall was done independently at each round and independently of the random selection for the biological measurements. Dietary data were entered in duplicate to limit data-entry errors and foods were transformed in nutrients using CSdietary software (SERPRO and HarvestPlus, Washington DC, 2009).
The food composition table (FCT) was a revised version of the one built for a previous study carried out by the Institut de Recherche pour le Développement  [16]  updated using data from the World Food Dietary Assessment System (University of California at Berkeley International Minilist) and the National Nutrient Database for Standard Reference of the United States Department of Agriculture (Release 20, 2007). The arbitrary threshold method proposed by Willet to identify outliers for energy intakes  [17]  was adapted in order to account for age, weight and physiological status of women. Regarding children, outliers were identified using the average energy requirement calculated from the formula provided by the Food and Agriculture Organization of the United Nations (FAO)  [18]  divided by a factor of 0.