dataesr/scientific-paragraphs-categorization huggingface dataset:
These rate rules are adopted in the n-hexane mechanism but modifications have been made to the rate constants within their expected uncertainty (detailed in Table  3 , row 2) to obtain better agreement with the ratios of measured concentrations of cyclic ethers in the JSR. The reaction rates for the concerted elimination of RȮ 2 radicals has been calculated by Villano et al. in both the forward and reverse directions  [48, 50]. However, at lower temperatures the forward rate constants derived through microscopic reversibility  [50]  utilizing the CHEMRev software package  [41]  are inconsistent with previous results  [48] , which are caused by both errors in the thermodynamic data estimated by THERM  [53]  and in the quantum chemical calculations  [48, 50]. In addition, the rate rules from  [48]  and  [50]  were derived from a series of calculated rate constants, which were not identical to the calculated results for each reaction and contribute to the inconsistency.
Acknowledgments At NUIG, the research leading to these results has received funding from the  People Programme  ( Marie Curie Actions ) of the European Union's  Seventh Framework Programme FP7 /2007-2013/ under REA grant agreement n°  607214. At CNRS, the research leading to these results has received funding from the  European Research Council  under the European Community's  Seventh Framework Programme  ( FP7/2007-2013)  /  ERC  grant agreement n°  291049 -2G-CSafe.
Complexes 1 have been both characterized by NMR and IR spectroscopy, mass spectrometry and gave satisfactory microanalytical data (see Experimental section). In addition, single-crystal X-ray diffraction studies were performed on 1a-1c. Single crystals of 1a, 1b, and 1c suitable for X-ray determination were grown by slow cooling of acetonitrile solutions of each complex that had been previously brought to reflux. A perspective view of representative 1c is shown in Figure  3  (see also Figures  S9-S11 ); selected bond distances and angles for all three structures are collected in Table  2. In each structure an aluminum center is bound by a monoanionic N,N-pyridine-alkylamide chelate along with two methyl ligands to complete a distorted tetrahedral geometry. The bite angle for the bidentate ligand ranges from 83.
The combined organic phases were washed with brine (1 × 30 mL), dried over MgSO4, filtered, and the solvent removed under reduced pressure. The resulting oil was subject to flash-column silica chromatography employing dichloromethane/petroleum ether as the eluent (3:1). After removing the solvent under reduced pressure 2-(1-naphthyl)-6-acetylpyridine was obtained as a yellow solid (2. 19 g, 99%). 1 H NMR (400 MHz, CDCl3): δ 2. 76 (s, 3H, O=CCH3), 7. 48-7. 55 (m, 2H, Ar-H), 7. 58 (t, J 7. 6, 1H, Py-H), 7. 66 (dd, J 7. 1, 1. 4, 1H, Py-H/Nap-H), 7. 78 (dd, J 7. 7, 1. 1, 1H, Py-H/Nap-H), 7. 93-7. 98 (m, 3H, Nap-H), 8. 09 (dd, J 7. 8, 1. 1, 1H, Nap-H), 8. 17 (dd, J 8. 1, 1. 0, 1H, Nap-H). ESI MS: m/z 248 [M + H] + , 270 [M + Na] +. The 1 H NMR data were consistent with that described in the literature  [61].
Crystallographic Studies Data for L1dipp, L1tripp, 1a, 1b and 1c were collected on a Bruker APEX 2000 CCD diffractometer. Details of data collection, refinement and crystal data are listed in Table  4. The data were corrected for Lorentz and polarization effects and empirical absorption corrections applied. Structure solution by direct methods and structure refinement based on full-matrix least-squares on F 2 employed SHELXTL version 6. 10  [75]. Hydrogen atoms were included in calculated positions (C-H = 0. 95-1. 00 Å) riding on the bonded atom with isotropic displacement parameters set to 1. 5 Ueq(C) for methyl H atoms and 1. 2 Ueq(C) for all other H atoms. All non-H atoms were refined with anisotropic displacement parameters. Disordered solvent was omitted using the SQUEEZE option in PLATON for 1c  [76].
High Performance Thin Layer Chromatography (HP-TLC) Lipids were detected by charring and quantified using a CAMAG 3 TLC scanning densitometer (CAMAG, Muttenz, Switzerland) with identification of the classes against known polar and neutral lipid standards. Typically, lipid extract was loaded as a spot onto 20 × 10 cm silica gel 60 F254 HP-TLC plates (Merck KGaA, Germany) using an ATS 5 automatic TLC sampler (CAMAG, Switzerland). Plates were then developed in an ADC2 automatic developing chamber (CAMAG, Switerland) using first a methyl acetate/isopropanol/chloroform/methanol/KCl (0. 25% solution) (25:25:25:10:9) mixture running to a height of 5. 5 cm from the origin and then a n-hexane/diethyl ether/glacial acetic acid mixture (70:30:2) to a height of 8. 5 cm from the origin. After drying, the plate was dipped for 6 s in a modified CuSO 4 reagent (20 g CuSO 4 , 200 ml methanol, 8 ml H 2 SO 4 , and 8 ml H 3 PO 4 ) then heated at 141 • C for 30 min on a TLC plate heater and finally scanned using a TLC Scanner 3 with Win-CATs software (CAMAG).
Acknowledgments This work has been partially supported by the  Spanish Ministerio de Economa y Competitividad  through grant no. TRA2012-36954. The equipment used in this work has been partially supported by  FEDER  project funds "Dotación de infraestructuras científico técnicas para el  Centro Integral de Mejora Energética y Medioambiental de Sistemas de Transporte (CiMeT) , ( FEDER-ICTS-2012-06 )", framed in the operational program of unique scientific and technical infrastructure of the  Ministry of Science and Innovation of Spain.
Experimental data processing 2. 3. 1 Response variables studied Different response variables were used to compare the reforming process of the aqueous fractions and the model compounds. The initial and overall 2 h carbon conversion to gas (CC gas, %), and the initial and overall 2 h H 2 and CO 2 yields (g/g organics) obtained during the catalytic steam reforming were compared in the experiments. To evaluate the tendency of the aqueous fractions and the model compounds to deactivate the catalyst, the loss, numerically calculated, in carbon conversion to gas and the loss in the H 2 and CO 2 yields, defined as the difference between the initial value and the final value obtained after 2 h of experiment (%), were also compared. The liquid condensates were also analysed to calculate and compare the overall carbon conversion to liquid (CC liq, %) and the global conversion (X, %) of the different compounds that constitute the aqueous fractions.
Acknowledgements The authors wish to express their gratitude to the  Aragón Government  (project  CTPP02/09 ) and the  Spanish MINECO  (projects  ENE2010-18985  and  ENE2013-41523-R ) for providing financial support and the  FPI  grant awarded to  Javier Remón Núñez  ( BES-2011-044856 ). Furthermore, we would like to thank  Ms I. Alava  and coworkers at IKERLAN-4 for having provided part of the bio-oil used in the present work.
The mixture fraction grid consists of 80 evenly spaced points. Compared to the flow and mixing calculations, a relatively coarser mesh is used in physical space in order to achieve significant computational savings. This is approach is valid due to the lower spatial dependence of the conditional averages compared to their unconditional counterparts. The ODE solver VODPK  [42]  is used to solve the system of equations. A threestep fractional method  [43]  is implemented in order to reduce stiffness of the system. The H 2 oxidation chemical kinetics mechanism of Mueller et al. [44]  is employed throughout this study. The details of the numerical implementation of the -PDF-based submodels are available in  [1]  and are not repeated here for brevity. The PMF closures for the PDF (13), the CV  (17) , and the CSDR (21) are computed using the open-source code "PMFpack"  [45].
Afterward, the beaker containing the solution was heated in a conventional microwave oven with output power of 800 W and frequency of 2. 45 GHz until the spontaneous ignition. The as-prepared powders were characterized by X-ray Diffraction (XRD) in a D8 Advance BRUKER apparatus using Cu Kα radiation (λ = 1. 5406 Å), 40 kV and 30 mA. Rietveld refinement analysis was performed by using MAUD 2. 53 (Material Analysis Using Diffraction) program package  20. Scanning Electron Microscopy (SEM) images were recorded using a Philips XL-30 ESEM microscope. Thermogravimetric Analyzes (TGA) were performed on a Shimadzu DTG-60H apparatus under a continuous air flow atmosphere. ATR-FTIR experiments were carried out on a Bruker Vertex 70 spectrometer. After calcination at 800 °C for 4h, the powders were re-characterized by XRD.
6 ) Å]. 14  The corresponding zinc alkoxide derivatives of the type [(P,O)Zn-OCH 2 Ph] 2 (5 and 6, Scheme 1) were prepared in good  yield (88-91%) via an alcoholysis reaction between the [(P,O)-ZnEt] 2 complexes 3 and 4 and 2 equiv. of BnOH at room temperature in CH 2 Cl 2 (Scheme 1). Complexes 5 and 6 were isolated as colorless solids and their formulation was deduced from elemental analysis and NMR data (ESI -Fig. S3  and S4 †). The 1 H NMR data for these species agree with the presence of one Zn-OBn moiety per phosphinophenolate ligand and with overall centrosymmetric structures (C i symmetry). In particular, the 1 H NMR spectra only contain one set of signals for the P,O ligand while the presence of two 1 H NMR resonances for the methylene benzyl group indicates inequivalent Zn-OCHH′ Ph methylene protons in 5 and 6.
rac-LA, [M] 0 = 1 M, room temp. , 2 h) in THF afforded PLA with a 40% conversion (vs. 97% conv. in CH 2 Cl 2 ), suggesting a monomer/solvent competition. Complex 5 was also found to quantitatively polymerize 100 equiv. of rac-LA under bulk   ). e Determined by GPC. f ROP run under bulk conditions, 130 °C. conditions within 20 min (130 °C, no solvent; entry 3, Table  1 ), yet with substantial loss of PLA chain length control and a broader PDI. The ROP of rac-LA initiated by 5 was also carried out under immortal conditions in the presence of benzyl alcohol acting as an external chain-transfer agent, yielding the nearly quantitative conversion of 500 equiv. of rac-LA within 7. 5 h to well-defined and narrow disperse PLA (entry 2, Table  1 ) as deduced from SEC data (ESI -Fig. S23 † ). 19 ikewise, species 5 also effectively initiates the controlled ROP of ε-CL to afford chain-length-controlled, narrow disperse and OBn-end-capped PCL (entries 4 and 5, Table  1 ), as deduced from SEC and MALDI-TOF analyses (ESI -Fig.
Acknowledgements We thank  Dr Lydia Brelot  and  Corinne Bailly  for X-ray diffraction studies. We are also grateful to the  Fundação para a Ciência e a Tecnologia (FCT), Portugal  for funding the project  PTDC/QUI-QUI/099873/2008  and fellowships  SFRH/BPD/ 73253/2010  (C. F. ) and  SFRH/BPD/44262/2008  (V. R. ). The  University of Strasbourg  and the  CNRS  are gratefully acknowledged for financial support.
Acknowledgments This work was supported by the  Defense Threat Reduction Agency  Grant nos. CBM. NEURO. 01. 10. US. 012  and  CBM. NEURO. 01. 10. US. 019  and by  CNRS  and  St Hubert  and the  Fondation pour la Recherche Médicale  Grant no. DRM20101220421  to  Nicolas Blondeau. The authors thank  Dr. Catherine Heurteaux  for many helpful discussions and all their past and present team members and collaborators who have contributed to the data and discussion in the review.
Locomotor Activity Test Locomotor activity was assayed between 1 and 3 hours after lights on. Single 2-to 9-dayold Drosophila male flies were introduced into a chamber created by placing a watch glass (3. 5 cm 2 ) on a glass plate using an aspirator  [30]. The chamber was positioned under a digital monochrome camera (Bosch LTC0355/50) and locomotor activity was automatically recorded for 10 minutes with 5 frames per second. Data acquisition and analysis were automatically performed using EthoVision software (Noldus, Wageningen, Netherlands).
PUFA Deficient Flies Show Deficits in Neuronal Signal Transmission Our data indicated that PUFA-starved flies suffered specific deficits in the fast positive phototaxis test. However, it remained unknown whether this deficit was caused by the inability of the photoreceptor neurons to depolarize or to transmit the signal to their post-synaptic partners. To answer this question we performed extracellular electroretinographic recordings (ERG) in flies raised on the different diets. During those ERGs the response of the flies' eyes to light is detected by a recording of sum potentials of the photoreceptors and their postsynaptic partners. The typical ERG trace of a wild-type fly raised on regular high-PUFA diet. It can be dissected into 3 components (Fig  3A ). The sustained negative potential (SNP) reflects the  depolarization of photoreceptors during a light stimulus.
This work was supported by the  European Research Council  (ERC starting grant GliSFCo,  311403  to YG). ABZ, CM, TG, JFF and YG are also supported by the  "Centre National de la Recherche Scientifique ". JFF was also supported by the  ANRblanc GUSTAILE. ABZ received a complementary financial support from the  CSGA (Gravugli). And the "Institut National de la Recherche Agronomique " is supporting SG and LB. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.
ACKNOWLEDGMENTS AG sincerely thanks  Prof. Maria Müller  for kind support with finalizing her Ph. D. thesis. This work was supported by a  BMBF  grant to AG and the  WTZ  grant  FR 15/2012  (PHC AMADEUS 2012 number  27206ZE  for France) to AG, AM-B, M-PP, EVDG and TR. This work was supported by the  Ministry of Education, Youth and Sports of CR  within the  National Sustainability Program I (NPU I ), grant number  LO1415  to TR.
As omics technologies become cheaper the genome sequencing of microorganisms will become a routine practice. Incorporation of novel functional data through high throughput transcriptomics and proteomics into databases will ultimately facilitate the in silico assessment of the probiotic potential of candidate microorganisms. It is too early to speculate whether in silico analysis will totally abolish experimental approaches. It is certain though that as our understanding of the molecular biology of probiotic properties improves, we will be able to design more efficient and more sophisticated in vitro and in vivo tests. Finally the cataloging of the human microbiome has already opened up the door for considering new categories of microorganisms as potential probiotics beyond the usual suspects (i.
ACKNOWLEDGMENTS The present work was cofinanced by the  European Social Fund  and the National resources EPEAEK and YPEPTH through the  Thales  project. In addition, this work was cofinanced by the  European Regional Development Fund (ERDF)  of the  EU  and by the  Greek National Resources  under the  Operational Program Competitiveness and Entrepreneurship (OPCE II) ,  Action  " COOP-ERATION 2011", Project  " ProbioDairyMeat ". BP is indebted to the " Fondation pour la Recherche Médicale" (FRM) , the  "Institut Pasteur de Lille" (IPL) , and the  "Centre National de la Recherche Scientifique" (CNRS)  for research funding.
1, Media Cybernetics, Total RNA extraction and multiplex gene expression analysis. Detailed protocols for total RNA extraction were reported in our previous study  28. A multiplex analysis containing 3 housekeeping genes (GAPDH, β -actin and tubulin) and 10 target genes (IGF-1, IGF-1R, IRS1, IRS2, PI3K, AKT1/2, MEK1, MEK2, Aggrecan and Col2a1) was performed on the GenomeLab GeXP Genetic Analysis System (Beckman-Coulter) using GenomeLab TM eXpress Profiler software (Beckman-Coulter, Fullerton, CA)  52. Multiplex optimizations (e. g. , primer validation and attenuation) were completed according to the manufacturer's instructions as previously reported by Shen, et al. 16. Briefly, a primer pair was considered valid if only one PCR product differed from its predicted size by less than one nucleotide.
SPSS 17 (SPSS Science Inc. , Chicago, Illinois) was used for data analysis. Quantitative data are expressed as the mean ± S. E. M. The longitudinal changes in body weight and growth rate were analyzed by two-way ANOVA with repeated measures. The Mankin scores of OA were compiled for each joint and subjected to a Mann-Whitney U-test. The immunohistochemistry data on the adult rats were analyzed by a 2 × 2 factorial analysis. Enumeration data, such as the IUGR rate, were statistically analyzed after arcsine square root transformation  28. The comparisons among fetal groups were performed using one-way ANOVA followed by Dunnett's post hoc t-tests. P < 0. 05 was considered to be statistically significant.
After washing in phosphate-buffered saline (PBS), cells were lysed and accumulation of substrates was determined through scintillation counting (for taurocholate, E3S and TEA) or through spectrofluorimetry (for fluorescein) using a SpectraMax Gemini SX spectrofluorometer (Molecular Devices, Sunnyvale, CA) (Excitation and emission wavelengths were 485 and 535 nm, respectively). Data were expressed as amount of intracellular substrate/mg protein. For OATPs, data were also expressed as % of E3S uptake found in control cells or as % of OATP activity, according to the following equation: % OATP activity ¼ ðAccumulation DEPe À Accumulation Reference inhibitor Þ Â 100 Accumulation Control ÀAccumulation Reference inhibitor with Accumulation DEPe = substrate accumulation in the presence of DEPe, Accumulation Control = substrate accumulation in control cells, Accumulation Reference inhibitor = substrate accumulation in the presence of a reference OATP inhibitor.
Efflux ABC transporter activity. The effects of DEPe on P-glycoprotein activity were analysed in P-glycoprotein-expressing MCF-7/R cells, through measuring intracellular accumulation of the P-glycoprotein substrate rhodamine 123  [41]. Briefly, MCF-7/R cells were incubated at 37°C with 5. 25 μM rhodamine 123 for 30 min, in the presence or absence of DEPe or a reference P-glycoprotein inhibitor (verapamil)  [42]. After washing in PBS, cells were lysed and intracellular accumulation of rhodamine 123 was determined by spectrofluorimetry (Excitation and emission wavelengths were 485 and 535 nm, respectively). Data were expressed as % of rhodamine 123 accumulation in control cells. The effects of DEPe on MRP2 activity were analysed in MRP2-expressing HuH-7 cells, through measuring intracellular accumulation of the MRP2 substrate CF  [43].
Briefly, HuH-7 cells were incubated at 37°C with 3 μM CF diacetate for 30 min, in the presence or absence of DEPe or a reference MRP2 inhibitor (probenecid)  [43]. Intracellular accumulation of CF was determined by spectrofluorimetry as reported above. Data were expressed as % of CF accumulation in control cells or as % of MRP2 activity according to the following equation: % MRP2 activity ¼ ðAccumulation Reference inhitor À Accumulation DEPe Þ Â 100 Accumulation Reference inhibitor À Accumulation Control with Accumulation DEPe = CF accumulation in the presence of DEPe, Accumulation Control = CF accumulation in control cells, Accumulation Reference inhibitor = CF accumulation in the presence of a reference MRP2 inhibitor. The effects of DEPe on BCRP activity were determined in BCRP-HEK 293 cells through measuring intracellular retention of the BCRP substrate Hoechst 33342  [44].
Briefly, BCRP-HEK 293 cells were first loaded at 37°C with 16. 2 μM Hoechst 33342 for 30 min. After washing in PBS, cells were re-incubated in Hoechst 33342-free medium at 37°C for 90 min in the absence or presence of DEPe or 10 μM fumitremorgin C, used here as a reference inhibitor for BCRP  [45]. Intracellular retention of Hoechst 33342 was determined by spectrofluorimetry as described above (Excitation and emission wavelengths were 355 and 460 nm, respectively). Data were expressed as % of initial Hoechst 33342 loading. The effects of DEPe on bile salt export pump (BSEP/ABCB11) activity were analysed in primary human hepatocytes, through measuring BSEP-mediated secretion of taurocholate into bile canaliculi-like structures as previously reported  [46]. Briefly, hepatocytes were first incubated for 10 min at 37°C with transport assay buffer containing Ca 2+ or with the same buffer, except that 1.
RNA isolation and analysis Total RNAs were extracted using the TRI reagent (Sigma-Aldrich). RNA was then subjected to reverse transcription-quantitative polymerase chain reaction (RT-qPCR), using the RT kit from Applied Biosystems (Foster City, CA), the fluorescent dye SYBR Green methodology and an ABI Prism 7300 detector (Applied Biosystems), as previously described  [49]. Gene-specific primers for drug transporters, CYP1A1, CYP1B1, aldehyde deshydrogenase 3A1 (ALDH3A1) and 18S RNA were used exactly as previously reported  [49] [50] [51]. The specificity of each gene amplification was verified at the end of qPCR reactions through analysis of dissociation curves of the PCR products. Amplification curves were analysed with ABI Prism 7000 SDS software, using the comparative cycle threshold method.
Statistical analysis Quantitative data were usually expressed as means ± SEM. They were statistically analysed using ANOVA followed by a Dunnett's post-hoc test, Student's t-test or nonparametric Spearman's rank correlation method. The criterion of significance was p < 0. 05. Half maximal inhibitory concentration (IC 50 ) values were determined using GraphPad Prism software (GraphPad Software, La Jolla, CA), through nonlinear regression based on the four parameter logistic function.
Effects of DEPe on ABC transporter activity The potential direct effects of DEPe on ABC drug transporter activities were analysed in ABCtransporter overexpressing cells (for P-glycoprotein, MRP2 and BCRP) and in primary human hepatocytes (for BSEP). As shown in Fig. 3A , 25 μg/mL DEPe failed to induce accumulation of the P-glycoprotein substrate rhodamine 123 in P-glycoprotein-overexpressing MCF7/R cells, in contrast to the reference P-glycoprotein inhibitor verapamil  [42]. Such data most likely indicate that DEPe did not inhibit P-glycoprotein-mediated efflux of rhodamine 123. DEPe was found to enhance retention of the BCRP substrate Hoechst 33342 in BCRP-transfected HEK 293 cells. This increase was however lower than that triggered by the reference BCRP inhibitor fumitremorgin C and DEPe failed to fully prevent loss of the dye during the efflux period (Fig.
The use of parasympathetic agonists, such as pilocarpine, is often used, since it induces the increase in the volume secreted without changing the relative amount of each protein. On the other way, the use of sympathetic agonists (e. g. pilocarpine) is also frequent, but in this case, when the amount of protein concentration is wanted. This type of stimulation induces the synthesis and secretion of proteins from salivary glands, but a relatively low volume  [79]. Most of the gel-based approaches need further protein identification, most of the times by mass spectrometry. Although advances have emerged, in the last years, for some animal species, salivary proteins identification continues to be challenging, due to the lack of complete and annotated genome and protein sequences  [81]. When this happens, the search in other related species databases is needed, increasing the possibility of to rise the number of false positive results.
Statistical analysis Sensitivity, specificity, positive and negative predictive values of the different diagnostic tests were analysed using MedCalc for Windows, version 13. 3. 1 (MedCalc Software, Ostend, Belgium). Box and whisker plot analysis were used to display the variation and median of the birth-to-surgery time. The boxes show the 25th, 50th (median) and 75th percentiles, and whiskers show the minimum and maximum times that are not outliers or extreme values. Post hoc pairwise comparisons were conducted using the Mann-Whitney U-test. Survival curves of CFTR -/-piglets between piglets diagnosed or not by CT scan were compared using chi square analysis (GraphPad Prism software; San Diego, CA).