dataesr/scientific-paragraphs-categorization huggingface dataset:
3 of the Synchrotron Radiation Source (SRS) in Daresbury, UK, and at B18 of Diamond Light Source, UK. The measurements were performed in transmission mode by using optimized ionization chambers as the detectors. Data handling and analysis: Data reduction was performed by using Xmult,  [55]  and analysis was carried out through a spherical wave formalism by using EXCURV98. [39] The R-factors quoted are defined as R = (s[cTÀcE]kndk/[cE]kndk)•100 %, in which cT and cE are the theoretical and experimental EXAFS, k is the photoelectron wave vector, dk is the range of photoelectron wave vectors analyzed, and n is the weighting in k that was applied to the data. The number of parameters, N, that can be justifiably fit was estimated from the Nyquist equation: N = (2DkDr/p) + 1, in which Dk and Dr are the ranges in k-and r-space over which the data are analyzed.
Acknowledgements We wish to thank the  European Synchrotron Radiation Facility (ESRF) ,  Science and Technology Facilities Council (STFC) , and  Diamond Light Source  ( DLS ) for access to the facilities. We also acknowledge the  ESRF  and the  Engineering and Physical Sciences Research Council (EPSRC)  for funding this research, a post-doctoral position ( GR/S85818/01 ), an  EPSRC   Advanced Research Fellowship  to M. T. ( EP/E060404/1 ), and a studentship to A. K. (ESRF and EPSRC). We would also like to thank  Dr. Carmello Prestipino ,  Dr. Peter Wells , and  Dr. Otello M. Roscioni  for their support during the run of the experiments at the synchrotron facilities. And we also thank  Sarrennah J. P. Longworth  and  Dogan Ozkaya  of the  Johnson Matthey Technology Centre  for providing TEM images and for their analysis of the catalyst powders.
The second reason is that the silica is a biocompatible material and Si/SiO 2 structures are compatible with microelec tronic technologies. The electrochemical cell was designed to maintain a fixed distance between the electrodes. It was manufactured with two inlets: one for the positioning of the reference electrode and the other for heavy metal injections. This prevented further manipulation or movement of the electrodes. Fixing the geometry of the cell also ensured the reproducibility of measurements. The sensitive surface area of the working electrode was measured at 0. 3 cm 2. The electrochemical cell was placed in a Faraday cage and in measured in darkness while the solution was homogenized under magnetic stirring. Elec trochemical measurements were performed in TBS at 0. 15 M. Impedance analysis was performed at 25 8C by varying the frequency from 10 mHz to 100 kHz using a Metrohm Autolab 83139 impedance analyser controlled with FRA (frequency response analyser) software.
AFM data were processed using the Nanoscope version 7. 30 (Veeco). For each experiment, six images were recorded at the same time: height images (trace and retrace), deflection images or signal error (trace and retrace) and friction images in contact (trace and retrace) or phase images in tapping (trace and retrace). For more clarity, images were flattened and only the trace height image was shown in this paper. Force curves were obtained with the same cantilever in the force calibration mode and collected by measuring the cantilever deflection as the sample was moved toward the tip  [46, 47]. In general, in the case of an AFM study of a given physico chemical treatment of surface, we performed a comparative study of samples corresponding to different phases of the treatment. In this study and for each treatment a series of three samples: the bare sensor was characterized, the sensor functionalized with PEM and finally the whole biosensor (the functionalized sensor on which Spirulina cells were attached).
Engine Configurations The first single cylinder configuration is the F7P engine  [26, 27]. It is fully equipped with sensors and optical accesses and benefits from a full experimental and numerical characterization on several operating points and a extensive database is then available for comparison. This naturally aspirated configuration consists in a single-cylinder four-valve spark-ignition engine fueled with gaseous propane (Fig. 1 ). Its main specifications are given in Table  1. The operating point chosen for this study is the one named unst_dil in Granet et al. [13]. This condition is called "unstable" because of its high degree of CCV (COV IMEP ¼ 7:2%, Tab. 2). Compared to a stable operating point, it is expected to exhibit larger differences between the different set-up. As mentioned in Section 1.
Trapped Mass The first macroscopic quantity a piston engine computation should be able to predict is the mass trapped in the cylinder after IVC because it has a first order impact on the engine thermodynamic cycle. Most of the time the first cycle of a multicycle LES does not allow to get this quantity with precision due to the influence of initial conditions. The present F7P simulations get round the problem by starting from the end of cycle 21 of the unst_dil database  [13] , i. e. from fully realistic initial conditions. For the Ecosural engine, two cycles without combustion are computed using the LW scheme and the Smagorinsky model to generate initial conditions for the combustion simulations. Table  5  summarizes the computed trapped mass for the three numerical schemes. The differences are very limited (% 1%) and this quantity is thus almost insensitive to the numerical scheme.
More pragmatically, g can be computed in solutions where [M 2+ ] * is known experimentally by using eqn. gInterference (33) and the constant η Q which can be obtained from a calibration plot in a purged sample or from the volume of Hg ( Q Hg nFV η = ). Once g and [M 2+ ]* are known, the surface concentration [M 2+ ] S can be obtained using the definition of g (32). Either directly with eqn. (31) or via g, [M 2+ ] S can be found, and its difference from [M 2+ ] * can be useful in the estimation of pH S. Indeed, with a modeling software like Visual Minteq, we can estimate the corresponding surface pH S by looking for the pH that (with the known composition of the bulk of the sample) yields as free metal concentration the just computed [M 2+ ] S. This estimation can result in a wide range of pH S (if, for this composition, the free metal concentration is practically insensitive to pH-changes) and does not take into account the changes in composition at the electrode surface other than those elicited by the pH change.
ACKNOWLEDGMENTS The authors gratefully acknowledge all the facilities of  IACS. D. M. acknowledges the J. C. Bose Fellowship, the  Indo-EU   MONAMI  project, and the  Indo-Swedish  grant for research support. S. S. thanks the  SPM fellowship of the CSIR (India) , and A. S. thanks  DST  for financial support. A. S. and D. M. also thank the  IFCPAR/CEFIPRA  for generous financial support. It is a pleasure to dedicate this article to  Professor Trygve Helgaker  on the eve of his 60th birthday. We greet him on this happy occasion and wish him many more years of creative pursuit.
Results and Discussions. To demonstrate the performance of "sufficiency conditions" and our new quasi-Fock formulation, we present some representative computations. Work is underway to obtain more data for a more conclusive demonstration of the strengths and weaknesses of this theory. We would like to draw the attention of the readers to the fact that some UGA-SUMRCC values presented here differ from those reported in our previous paper. 23 This is due to some small bugs in our earlier code. The conclusions of our previous publication, however, remain unchanged. We have chosen excited states of H 2 O, HF, CH 2 , BH, and CH + for theoretical comparisons in small bases. Appropriate bar charts have been presented to compare the trends in results for the parent UGA-SUMRCC (scheme P) and its variant (scheme S) where sufficiency conditions have been employed.
Numerical solution of the first order ODE problem In the numerical solution of the first order ODE problem we have to compute the pressure p that satisfies the initial value problem (35)-(36) and the point t 2 such that p(t 2 ) = 0 and p ′ (t 2 ) = 0. For this purpose, the proposed iterative numerical scheme combines a regula falsi algorithm that builds a sequence {t k 2 } in the interval (0, π/2), designed to converge to t 2 , with the use of the ode15s integrator of MATLAB to solve the initial value problem in [-π/2, t k 2 ], for each value of t k 2. So, the sketch of the algorithm is as follows: • Start regula falsi with the interval [t 0 2 , t 1 2 ] = [0, π/2]. • At the step k, for a given t k 2 , solve the initial value problem d p k d t = -6n cos(t)(h -h k 2 ) h 0 h 3 e -α p + 6 5 β n tan(t) h h 3 - h k 2 2 in (-π/2, t k 2 ] p k (-π 2 ) = 0 where h k 2 = h(t k 2 ) • if p k (t k 2 ) = 0, update t k+1 2 using regula falsi After convergence, the final solution is extended to the interval [-π/2, π/2] by p k (t) = 0 in (t k 2 , π/2].
In addition, for ratio = 10 3 the chosen parameters are ω = 0. 9 and a tolerance of 10 -6 in the duality algorithm stopping test, while for ratio = 10 4 this parameters are ω = 0. 07 and a tolerance of 5 × 10 -7. For both cases a tolerance of 10 -3 for the fixed point stopping test is chosen. In the numerical scheme implemented for the first order ODE formulation, labeled by [ODE-R], a 40000 nodes discretization of each interval [-π 2 , t k 2 ] is taken, thus leading to a similar stepsize to the one used in the meshes for the previous methods. Furthermore, the MATLAB ode15s integration function, with RelTol= 10 -6 and AbsTol= 10 -5 , is combined with a regula falsi algorithm with a stopping test of 5 × 10 -5. Table  1  shows the computed maximum of the dimensionless pressure with the different models, formulations and numerical schemes for the less extreme case with ratio = 10 3 and Table  2  shows the corresponding computed free boundary point t 2.
Acknowledgements The research described here has been supported by  Triangle de la physique  contract  2009-042T  and the  Department d'Enseignement-Recherche de Physique de l'ECOLE Polytechnique, OSEO  and the  CEA TECHSAN program. The authors would also like to acknowledge  Dr Emmanuel Balanzat  from  CIMAP at GANIL  for his invaluable assistance for  Swift Heavy Ion Irradiation.
Temperature was controlled by means of a liquid nitrogen 600 series cryosystem cooler from Oxford Cryosystems (temperature accuracy of 0. 1 K) working within the 100-300 K temperature range. The diffractometer was used in the Debye-Scherrer geometry (trans mission mode), enabling a simultaneous recording of the profile over a 2θ range between 4°and 120°(angular step of 0. 029°in 2θ) with monochromatic Cu K α1 radiation (λ = 1. 54056 Å) with asymmetric focusing incident beam curved quartz monochromator. External calibration was performed by using Na 2 Ca 2 Al 2 F 14 mixed with silver behenate as previously described. 31, 32 n order to diminish as much as possible preferred orientations, the sample was introduced in Lindemann capillaries (0. 2 mm diameter) which rotate along their longitudinal axes during data collection.
Acquisition times were at least 60 min, and a stabilization time of at least 5 min at each temperature before data acquisition was selected. A long time acquisition pattern was obtained at 150 K and used for refinement purposes. Neutron Powder Diffraction. Powder diffraction measurements on several grams of deuterated 1122TCE were conducted by means of the high resolution powder diffractometer SPODI at FMRII (Technische Universitaẗ Darmstadt, Germany), which was used within the standard configuration (2θ max = 155°) and λ = 2. 537 Å. 33  Measurements at 3. 5 K on the new polymorph were performed in order to analyze its metastable character at low temperature. Nuclear Quadrupole Resonance (NQR). 35 Cl NQR measure ments were done in deuterated 1122TCE using a Fourier transform pulse spectrometer with a Tecmag NMRkit II unit and a Macintosh based real time NMR station.
Thus, phase β of 1122TCE must show eight lines (see Figure  2 ), since the asymmetric unit contains two molecules, each one with four Cl atoms. At first glance, seven peaks are observed (including the shoulder that is clearly visible on the peak at ca. 37. 6 MHz), but the largest peak at ca. 37. 6 MHz actually comprises two peaks separated by approximately 10 kHz. For phase γ, the number of resonant  35  Cl lines is also eight (Figure  2 ), which shows up that for this phase the number of the molecules in the asymmetric unit, Z′, is also two. The X Cell software within the module Powder Indexing of Materials Studio 36,37 was applied to the X ray and neutron diffraction patterns obtained at 150 and 3. 5 K, respectively, for indexing purposes. Both resulted into a monoclinic lattice with similar parameters.
The OECTs in this study have a channel width of 2 mm and a channel length of approximately 6 mm, resulting in a channel area of approximately 12 mm 2. PEDOT:PSS lines extending from the well served as the source and drain contacts. OECT Measurements. For OECT measurements, Ag/AgCl served as the gate electrode. All measurements were made using a Keithley 2612 Source Meter and customized Labview software. Cell media (as described above) was used as the electrolyte. Measurements were performed at ambient temperature, but controls were conducted to ensure that temperature effects do not dominate changes in OECT response within the time required for measurements. Measurement parameters were chosen to avoid exposing the cell layers to a voltage drop above 0. 5 V, as high voltages have been shown to damage bilayer membranes  [29].
OECT data were collected using the following parameters: V DS = -0. 2 V, V GS = 0. 3 V, V GS on time = 2 s, off time = 28 s. Data are shown in the form of a normalized response of the OECT. The magnitude of modulation of drain current on application of a gate voltage pulse (ΔI D ) is divided by the baseline current I o. The resulting ΔI D /I o dataset (unitless) is normalized to a [0,1] scale for easier data visualization and device to device comparison. Included in each measurement, but not shown, is a baseline of ΔI D /I o after cell layer removal, to aid in the assignment of NR = 1. In this way, NR = 1 refers to no barrier properties, and NR = 0 refers to full barrier properties of the cell layer (although not full suppression of OECT modulation  [24] ). See Appendix for further description.
Acknowledgments This research was supported by a  Marie Curie International Reintegration Grant  within the  7th European Community Framework Programme. We gratefully acknowledge funding from  FP7-People-2009-RG ,  Marie Curie  Project No. 256367  (CELLTOX) and the  European Research Council   ERC-2010-StG Proposal No 258966  (IONOSENSE), as well as a joint grant from the  Conseil Regional de Provence Alpes Côte d'Azur  and  CDL Pharma  for ST. We thank  George Malliaras  for useful discussions pertaining to OECT design and function.
The predicted combustion velocity is overestimated compared to experimental reference and presents a one-stage process. It was shown that the results are sensitive to the transition between the combustion regimes. Representative fuels were selected and characterized experimentally in view of comparisons between experiments and engine CFD simulations. Initial optical engine experiments were performed and high speed imaging of the naturally-occurring combustion luminosity revealed notable variations in combustion behavior as a function of overall equivalence ratio. Although more detailed diagnostics will be performed by the authors in the future, including tracer LIF and OH LIF measurements, these first results reveal a notable effect on heat release rate. Although it remains to be confirmed, imaging data appear to reveal initial auto-ignition of the premixed charge occurring as a result of the pilot Diesel injection followed by a sequential auto-ignition of the remaining, predominantly premixed charge or by flame propagation or a combination of these combustion regimes.
Measurements. Products were examined by IR and recorded with a Perkin-Elmer 1000 series FT-IR spectrophotometer using KBr disks. UV-vis spectra were obtained in DMF with a UNICAM UV-300 spectrophotometer. 1 H NMR spectra of the ligand and the diamagnetic complexes were recorded on a Jeol GSX WB spectrometer instrument operating at 270 MHz, and the chemical shifts to low field of the reference are designated positive and given in ppm, using tetramethylsilane (TMS) as external reference. NMR samples were run as solutions in DMSO-D 6. Mass spectra were recorded on a Bruker Daltonics Data Analysis 3. 1 spectrometer using electron impact (EI) conditions. Elemental analysis was carried out with an EL III-ELEMENTAR. Melting points were determined with a Kofler bench and are uncorrected. Differential scanning calorimetry (DSC) diagrams were recorded in the 25-400 ∘ C range with a Mettler DSC 822 e unit, with the help of Mettler Toledo STAR e SW 8.
VLE measurements for {pyridine + ILs} VLE measurements of {pyridine + ILs} have been performed in a glass cell by using a static method. The apparatus is shown schematically in Figure  2. This apparatus can be applied for the measurement of reliable isothermal P-x data up to 298 K and 40 kPa. where res a is the residual Helmholtz free energy of the system. The superscripts hc, disp and assoc refer to a reference hard chain contribution, a dispersion contribution and an associating contribution, respectively. Equations are as follows: 1 1 ln c n hc hs hs i i ij i a ma x m g (2) 3 2 2 2 1 3 2 1 2 ~m I C m m I a disp (3) nc i A i A A i assoc i i i M X X x a.
0 software, to determine the oxide parameters (protolytic properties and site density). The electrophoretic measurements were fitted in the framework of the double diffuse layer model (DLM) and an IEP of 9. 5 was determined. The constant-pH isotherms of the acids were fitted using the CCM. Constant-pH isotherms of H2Gal and H2Proto onto the Al2O3 surface sites at pH 5 were similar. Two adsorption sites of different affinities were clearly evidenced for H2Gal and can also be proposed for H2Proto. H2Phb showed a lower affinity for the surface than the two other acids, as the logKsorb for H2Phb is one and a half time lower than the one for H2Proto when adsorption is described with one adsorption site. As expected for a carboxylic acid, adsorption of H2Phb decreased with pH and experimental data were well fitted using three adsorbed species (≡MOH2H2Phb + , ≡MHPhb -, and ≡MPhb -).
The experimental data were then corrected so that sorbed H + concentration is nil at the intersection point (PZSE) of the titration curves performed at the three ionic strengths. From thermodynamic data (Table  1 ) γ-Al2O3 is not stable at 25°C and should undertake extensive phase change to boehmite, γ-AlO(OH), or to bayerite, β-Al(OH)3  [44, 47]. The dissolution of our mineral within the time frame of our experimens seems to more be controlled by either α-Al2O3 or bayerite (vide post) and solubilization should be minimum within the pH range 4. 2-11; influence of dissolution on the total number of sites can be neglected in the pH range 5-10. The experimental data were fitted using the FITEQL 4. 0 software  [48]  in the framework of the constant capacitance model (CCM). The accuracy of fit was checked by the overall variance (the weighted sum of squares of residuals divided by the degree of freedom, WSOS/D).
m -2 ); log int K1, log int K2, surface acidity constants (defined in equations 1 and 2); d, site density (in nm -2 ); and WSOS/D, accuracy parameter of the fit. The mean values (MEAN) and the uncertainty (UNCERT) calculated by the software are also given. As shown in Table  3 , int K1, int K2 and Ns do not vary with ionic strength. Lützenkirchen [50] also remarked a possible linear relationship between C and log10I, as well as between log10 int Ki and log10I. In our case, this linear relationship seems to be verified for C and log10I, as shown in Figure  3. These results partly validate the use of the CCM for our adsorption studies in the  Electrophoretic mobilities of Al2O3 particles were determined at ionic strengths 0. 01 and 0. 05 mol. L -1 NaCl (Figure  4 ). The electrophoretic data were fitted using the DLM to determine the acido-basic constants of the oxide; using CCM has no meaning for electrophoretic mobility.
Electron paramagnetic resonance spectroscopy The EPR spectra were recorded on a JEOL FA-300 series EPR spectrometer at ∼9. 3 GHz (X-band) using a 100 kHz field modulation and a 2. 5 G standard modulation width. The spectra were recorded at 77 K using an insertion Dewar containing liquid nitrogen. Computer simulation of the spectra was performed using the EPRsim32 program  [30]. The sample was introduced into a cell consisting of a Ushape reactor with a porous disk for thermal treatment and connected to an EPR tube. The cell can be closed using vacuum valves. After 10 min in dynamic primary vacuum (≈10 -2 mbar) at RT, 250 mbar O 2 was introduced into the cell, which was then heated at 773 K (5 K min -1 ) for 2 h. After decreasing the temperature down to 723 K, the sample was evacuated under dynamic primary then secondary vacuum (≈10 -4 mbar, 10 min) before rapid cooling to RT.
At RT, increasing pressures of O 2 were introduced into the cell (from 1. 5 up to 50 mbar). After internal transfer of the sample into the EPR tube, the spectra were recorded after 30 min cooling at 77 K (acquisition time: 8 min). The "raw" double integration of the EPR signal (arbitrary units) was performed using the cwEsr software (3. 3. 36E XB version) provided by JEOL. The double integration per gram of sample, which is proportional to the amount of paramagnetic species in the absence of dipolar interaction, was calculated considering the amount of sample in the EPR tube for each measurement.
efsa. europa. eu/de/events/event/ 120614. htm): 1. An adequate and generally accepted definition of ''low-dose effects'' and of NMDRC is needed in order to facilitate discussions. 2. The amount of evidence needed to decide if in a particular case a ''low-dose effect'' or an NMDRC has to be taken into account should be defined. 3. Information may be obtained from in vitro and in vivo studies to determine biological plausibility. 4. Data on toxicokinetics, MoA and toxicodynamics will be helpful to understand the nature of the observations and to link internal dose estimates to occurrence of adverse effects. 5. The criteria for adversity should be the same for all types of effects. 6. It should be possible to derive Points of Departure (PoDs, NOAEL/BMDL) for risk assessment in studies with an adequate (extended range) number of dose levels, in particular in the lower dose range and even if there is a NMDR.
Theo Vermeire gave an overview of the principles of risk assessment. He noted that there is a specific framework for risk assessment which focuses on hazard and exposure assessments while paying attention to uncertainty. Data quality is an important part of the evaluation process and consists of validity of the methods, reliability of test results, consistency and reproducibility of the effects and relevance. Example criteria were discussed briefly. The relevance of observations for humans should be evaluated based on the postulated mode of action. Regarding adversity of effects he noted that risk assessors discriminate between adversity and adaptive or transient effects. When considering the mode of action of a substance there is a need to establish a causal and possibly dose/concentration relation between in vitro/in vivo mechanistic biomarkers and the adverse apical endpoint.