dataesr/scientific-paragraphs-categorization huggingface dataset:
STR diversity in our dataset is much more compatible with population growth than with stationarity, as shown by the ABC results, but, contrary to other haplogroups such as the whole of R1b-S116, G2a, I2 or J2a, the start of this growth is closer to the TMRCA of the haplogroup. Although the median time for the start of the expansion is older in R1b-DF27 than in other haplogroups, and could suggest the action of a different demographic process, all HPD intervals broadly overlap, and thus, a common demographic history may have affected the whole of the Y chromosome diversity in Iberia. The HPD intervals encompass a broad timeframe, and could reflect the post-Neolithic population expansions from the Bronze Age to the Roman Empire  28. While when R1b-DF27 appeared seems clear, where it originated may be more difficult to pinpoint.
Detailed formulas for each subhaplogroup are given in Supplementary note 1. Individuals with missing information were used only to refine the estimation of subhaplogroup frequencies. Haplogroup frequency maps were drawn with SURFER v. 12 (Golden Software, Golden CO, USA) by krigging. Principal component analysis was performed with IBM SPSS Statistics v. 19. Basic descriptive statistics, as well as AMOVA, were computed with Arlequin 3. 5  44. Haplogroups were dated from STR variation with ρ w , a weighted version of ρ 45 that leverages on the relatively precise knowledge of the mutation rate of each Y-STR. Thus, it takes into account that mutations at slow STRs take longer to accumulate than mutations at faster STRs. It is defined as ∑ ∑ ρ µ µ =        | - | ⋅         = = N n X X 1 ( ) W i k i j S ji jm j 1 1 where N is the number of chromosomes, k is the number of different haplotypes, n i is the absolute frequency of the ith haplotype, S is the number of different STRs, X ji is the allelic state of the ith haplotype at the jth STR, X jm is the median allele at the jth STR, µ is the average mutation rate and μ j is the mutation rate of the jth STR.
The standard deviation of ρ W is given by And age, as in ref. 45, is estimated as ∑ ∑ ρ µ µ =        | - | ⋅         = = sd N n X X ( ) 1 ( ) (1) ρ µ = ⋅ T ( 2 ) W where µ is now expressed in years per mutation. ρ W was computed with an ad hoc R script, which is available in github (http://github. com/fcalafell/weighted_rho). Mutation rates were retrieved from the Y-Chromosome STR Haplotype Database (YHRD, www. yhrd. org) on Feb. 1, 2017. DYS385 was omitted from the calculations, and DYS389I was subtracted from DYS389II. Additionally, outlier individuals were detected and removed from the estimate as suggested in ref. 20. Unweighted ρ was used to estimate the age of DF27 by using the whole Y chromosome sequences of the 88 unrelated individuals derived for this SNP and present in the 1000 genomes project dataset.
Acknowledgements We want to thank the thousands of volunteers who made this work possible. Cristina de Vasconcelos  superbly organized the logistics of collecting part of the samples used in this paper. Funding was provided by the  Agencia Estatal de Investigación and Fondo Europeo de Desarollo Regional (FEDER)  (grants  CGL2013-44351-P ,  CGL2016-75389-P ), by  Agència de Gestió d' Ajuts Universitaris i de la Recerca (Generalitat de Catalunya)  grant  2014 SGR 866 , and by the  Basque Government  ( IT-424-07 ). FT was supported by the  ERC  Advanced Grant Agreement No  295733 , ' LanGeLin ' project.
Data analysis We decided to strictly follow recommendations made by the authors of the MSLQ in terms of data analysis  [20]. After entering the data into an Excel® table, they were imported into the R software® (version 3. 1. 3) to be analyzed. The test used to compare the two groups was a Chi2 analysis (with Yates continuity correction). When cohort numbers were too low, Fisher's exact test was used. The groups were considered to be different if the p-value was less than 0. 05. The Likert score was calculated by adding up the Likert items. The averages of the Likert scales for both groups were compared using Student's t test. A difference of less than 5% (p < 0. 05) was considered to be significant. The data are available as a supplemental file (Additional file 1).
Hadronic shower analysis in the SDHCAL The CALICE semi-digital hadron calorimeter (SDHCAL)  [1]  is a sampling calorimeter with 48 glass resistive plate chambers (GRPC) used as active media. The transverse segmentation of the SDHCAL is 1×1 cm 2 , it uses a three-threshold readout and its total depth is about 6λ I. The response of the SDHCAL to hadrons and electrons was studied using test beam data in the energy range 5-80 GeV. The GEANT4 simulation of the SDHCAL is followed by a digitisation procedure to simulate the GRPC response. The tuning of the digitiser parameters (charge distribution and repartition, charge screening effect, etc. ) is done using muon tracks and electromagnetic shower data. The number of hits in electromagnetic shower data is well reproduced by the simulation. Above 40 GeV, the simulation underestimates significantly the total number of hits in hadronic showers.
The longitudinal profiles were parametrised with the sum of two Gamma-functions, describing the shower development near the shower start position ("short" component) and in the shower tail ("long" component). The extracted parameters of the "short" component was observed to be consistent with the parameters of electromagnetic showers. The position of the maximum of "short" component, Z short max , is plotted in figure  2  versus the energy deposited in that component for both data and simulations. For comparison, the dependence of the shower maximum position on the particle energy for electron-induced showers measured in the Fe-AHCAL prototype is also shown as well as the phenomenological predictions for electron-induced and gamma-induced showers. The GEANT4 hadronic models overestimate the fraction of the "short" component related to π 0 production by 5-10%.
Comparison of energy reconstruction schemes in the Fe-AHCAL Different energy reconstruction algorithms are used to reconstruct the incident particle energy from the measured depositions of the different CALICE prototype detectors. The DHCAL only registers whether any signal was detected in a given cell (digital reconstruction)  [3] , the SDHCAL classifies hits into four different amplitude bins (semi-digital reconstruction)  [1] , and the AHCAL does a full 16 bit digitisation of the sensor output in each cell (analogue reconstruction). There is also an option for analogue readout of applying a weight for each hit based on the hit energy to correct the non-compensating nature of the AHCAL (software compensation -SC)  [4]. All three energy reconstruction algorithms were studied on the same data set taken with the Fe-AHCAL by artificially reducing the amplitude information per hit according to the reconstruction scheme.
Energy resolution of a combined scintillator-SiPM calorimeter system A full calorimeter system prototype based on plastic scintillators with SiPM readout, consisting of the ScECAL  [5] , the Fe-AHCAL and the TCMT has been operated in a test beam campaign at FNAL in 2008-2009. The resulting single pion energy resolutions for an unweighted standard energy reconstruction as well as a software compensation reconstruction are shown in figure  4  PoS(ICHEP2016)1092 in comparison to simulations with different GEANT4 physics lists and versions. Software compensation reconstruction improves the measured energy resolution of the calorimeter system by ∼2 % for all beam energies. The resolutions obtained with the standard energy reconstruction are well reproduced by the given simulation models. Using software compensation, all tested simulation models tend to overestimate the possible improvements in energy resolution by 1-2 %.
These were calculated according to the S n cc second rank order equation: where θ is the angle between the bond connecting lipid bead particles (B n -B n-1 ) connecting beads within the lipid and the z-axis of the simulation box, normal to the bilayer. The angle brackets denote the mean angle calculated for all of the lipids in the system (ensemble average). The second rank term refers to the second-order Legendre polynomial used to describe the order parameter. 75 ] [78]  Diffusion Analysis. The diffusion of lipids within the simulated systems was analyzed using documented open-source code (http://dx. doi. org/10. 5281/zenodo. 11827). This code employs an algorithm which calculates the MSD (MSD) values of individual lipid centroids over a range of time sampling windows, including: 1, 2, 5, 10, 20, 50, 70, 100, and 200 ns.
The standard deviations of both parameters (D α and α) were calculated from the square root of the diagonal of the covariance matrix from the anomalous fit. This code has been used by previous simulation studies of lipid diffusion in virus particles. 79, 80 iffusion constants are reported without correction for the reduced degrees of freedom resulting from applying the Martini CG model. A simple scaling factor of 4 has previously been applied to compare diffusion of lipid and water particles in CG systems to experimental measurements. 54 ipid Dip-Pen Nanolithography (L-DPN). L-DPN was performed on graphene and graphene oxide samples. Lithography took place in a DPN5000 system (Nanoink, U. S. A. ) with a single cantilever probe (A-Type, ACST, U. S. A. ). The cantilever was coated with 1,2dioleoyl-sn-glycero-3-phosphocholine (DOPC) using a microfluidic inkwell (ACST, U.
ACKNOWLEDGMENTS Our thanks to our colleagues for their interest in this work and especially to  Matthieu Chavent  for his help with preparation of figures and movies using Hyperballs. This research was supported by the  Biotechnology and Biological Sciences Research Council (BBSRC)  [grant number  BB/J014427/1 ],  Engineering and Physical Sciences Research Council (EPSRC)  [grant number  EP/L01548X/1 ], and the  Karlsruhe Nano Micro Facility  (KNMF, www. knmf. kit. edu), a  Helmholtz Research Infrastructure at Karlsruhe Institute of Technology (KIT , www. kit. edu). A. U. acknowledges the  People Programme (Marie Curie Actions ) of the European Union's  Seventh Framework Programme   FP7/2007-2013  under  REA  grant agreement no. 328163.
The tensor ε(0) i as well as the longitudinal optical modes (LO) are finally calculated with the CRYSTAL code using the ε(∞) i tensor. The results are shown in Table  2  for bulk and strained slabs (-1. 69% and -1. 305%). As the strain is lowered, ε(0) // increases while ε(0) ⊥ remains constant. The variations of ε(0) // are reported in Fig. 2b  together with the soft mode frequency dependence on the strain. One can readily notice that ε(0) // tends to infinity and the soft mode frequency tends to zero between strains of -1. 305 and -1. 30%, which denotes a FE state. We now focus on the origin of the divergence of ε(0) // in strained slabs. For a crystal with N IR-active optical modes, the Lyddane-Sachs-Teller relation (LST) connects the dielectric constant to the optical phonon frequencies: where ω LOj and ω TOj are longitudinal and transversal optical frequencies, respectively, and = ∂ ∂ ) i E F 0 i and α = ∂ ∂ ) ii E F 0 i 2 2.
DFT calculations. The equilibrium structural parameters and the phonon modes of the IR spectra were calculated using ab initio calculations at the DFT level by means of the CRYSTAL09 code  47  where the crystalline orbitals are expanded in terms of localized atomic Gaussian basis set. The B3PW functional, based on Becke's three parameters adiabatic connection exchange functional  48  in combination with the non-local correlation PWGGA  49  , has been used in this work. Titanium and oxygen were treated at an all-electron level and the standard basis set HAYWSC 311(1d) G for strontium were used for orbital expansion when solving the DFT-SCF equation iteratively. The number of k points in the first irreducible Brillouin zone (Pack-Monkorst lattice)  50  at which the Hamiltonian matrix is diagonalized is equal to 40.
In optimizing the geometry, we allowed the relaxation of all atoms. A modified conjugated gradient algorithm  51  has been implemented in the CRYSTAL code to optimize cell parameters and fractionary atomic coordinates. In geometry optimization, the criterion for convergence on the total energy is set to 10 -8 Hartree. Γ-point vibrational frequencies and absorbance are calculated with a precision of 10 cm -1 on the frequency and 30% on the relative absorbance. The absorbance spectrum for bulk cubic STO was calculated using the relaxed structure described previously. Absorbance calculations have also been performed for slabs of 3, 5 and 7 SrTiO 3 layers along the [001] direction (periodic boundary conditions are imposed in the [100] and [010] directions). In this case, the periodic simulation box contains a 50 nm empty space between two adjacent slabs in order to avoid surface interaction.
Survey selection Our purpose was to identify representative nation-wide surveys, which have been systematically searched for on Medline, using the key words [sugar AND (intake or diet or survey)] associated to the name of each of the EU 28 countries, plus Switzerland and Norway. This retrieved 107 hits, with one of them only fitting to our criteria. A hand search was thus undertaken on Google, and on the websites of national Public Health Authorities or Agencies in European countries. For the purpose of this review only country-representative surveys carried out in Europe and which reported exploitable data on sugar intakes were selected. Selection criteria and study eligibility were agreed among all authors. When several surveys were identified in the same country, only the most recent was analyzed and no survey older than 20 years was retained since the aim was to present the most current intakes.
Under-reporting or over-reporting subjects were identified in many surveys  [23, 25-27, 30, 37, 40]. Extreme reporters were excluded in most cases, but not in Norway  [31] , the Netherlands  [30]  or Italy  [40]  and, in Ireland, only for adults but not children  [27]. In Denmark and Germany, exclusion of extreme reporters was not clearly acknowledged  [24, 37]. We had access to both the raw dataset from the Dutch  [30]  and the French  [25]  dietary surveys, which have been re-analyzed specifically for this review when information was missing from the reports or publications.
Dietary assessment Dietary data collection was carried out with different tools, developed specifically in each country, except in the Netherlands and in Belgium, which both used the EPIC-software  [41]. As a consequence, the coding of the recorded food items varies across countries, which resulted in different classifications of foods within groups, categories and subcategories. Harmonized food categories, i. e. containing similar food sub-groups, have been elaborated by redistributing food sub-groups in a consistent way, when possible and as shown in Table  2. Only categories that contribute significantly to sugar intakes were considered. In the Irish surveys, contributions of added sugars were given but these surveys omitted some important categories, such as processed fruits or dairy products; these data have not been included in tables and figures  [27].
Assessment of added sugars and NMES Also of relevance is the way the intake in added sugars or in NMES has been estimated. To our knowledge, no national food composition database currently contains values for added or free sugars. The method used to estimate the content of added sugar was not clearly detailed in Hungary and Norway  [26, 31]. In France, Ireland, the Netherlands and the UK  [21, 25, 28, 34] , the added sugars content was approached using disaggregated recipes, either as they existed in the national food composition database or defined from cookbook or manufacturer's information, and/or using the ingredient list or other piece of information from the labeling. Naturally occurring sugars from fruits, vegetables and milk were not included. In Denmark  [24] , the whole sugar in specific food groups, such as sweets, cakes, soft drinks, desserts, breakfast cereals were considered as added sugars.
Indeed, the difference in the methods currently used to estimate added sugars can lead to inappropriate estimates. For example, in Denmark, all the sugar present in cakes, desserts or breakfast cereals was considered as added; this may have led to a slight overestimation of added sugars (e. g. not considering lactose in a milk-containing cake), when in other surveys, added sugar was determined at the ingredient level, after disaggregation of the recipe. These small differences should not be disregarded: the expected changes in added sugar intakes in real life and at population levels may not be much higher, especially during the initial steps of implementation of policy measures. As methodological differences across surveys make it difficult to develop fact-based nutrition policies at the pannational level, the European Food Safety Agency is currently implementing and promoting among the European Member States a common methodology for dietary surveys, which includes recommendations about sampling procedures, data collection and treatment as well as on overall quality assessment  [50].
Population sample In order to carry out this study, a comprehensive survey was conducted from February to August 2015 in the municipality of Tessekere (Ferlo region, northern Senegal). In 2014, according to Senegal's National Agency for Statistics and Demography (ANSD), a total of 8999 individuals aged 20 and over were living in Tessekere municipality  [20]. The population sample selected for this study comprised 500 individuals aged 20 and over. The sample was constructed using the combined quota method (crosssection by age and gender) to strive for representativeness of the population of Tessekere aged 20 and over. Data from the ANSD dating from the last census (2013) were used. The quota variables used were gender (male/ female) and age (2029/3039/4049/50 and over). Eight trained investigators (PhD students in Sociology, Medicine and Pharmacy) started out from different points each day to interview individuals in Wolof or Haalpulaar in each camp.
Statistical analysis Files compiled on the basis of the 496 questionnaires were processed and coded in Excel (2013). We used χ 2 tests to measure the presence, strength, and independence of statistical association of socio demographic and biological variables and diabetes. We also carried out binary logistic regression analyses to estimate the risk factors for diabetes. All analyses were performed using SPSS software, version 20. A twosided Pvalue of less than 0. 05 was considered significant.
We considered and evaluated two routes toward these substrates: ferrocene deprotometalation followed by trapping using dialkylcarbamoyl chlorides (Route A)  18  and amide formation from ferrocenecarboxylic acid  19  (Route B). 20  As shown in Table  1 , the two routes work in similar yields although Route A provides the ferrocenecarboxamides 1-4 in only one step from cheap ferrocene. All the products obtained were fully characterized, and their main spectroscopic and X-ray diffraction data are furnished in Supporting Information.
19 or 2-4, 6-9 and 13, the X-ray diffraction data were collected using D8 VENTURE Bruker AXS diffractometer at the temperature given in the crystal data. The samples were studied with monochromatized Mo-Kα radiation (λ = 0. 71073 Å). The structure was solved by dualspace algorithm using the SHELXT program,  38  and then refined with full-matrix least-square methods based on F 2 (SHELXL). 39 All nonhydrogen atoms were refined with anisotropic atomic displacement parameters. H atoms were finally included in their calculated positions. The molecular diagrams were generated by ORTEP-3 (version 2. 02). 40 neral procedure 1 (Route A). The protocol was adapted from a previously reported procedure. 41 To a stirred mixture of ferrocene (0. 93 g, 5. 0 mmol) and t BuOK (56 mg, 0. 5 mmol) in THF (45 mL) at -80 °C, was added dropwise t BuLi (~1.
The resulting solution was cooled to room temperature. Brine (50 mL) was added before Density Functional Theory (DFT) Calculation Details. All the DFT calculations were performed by using the Gaussian 09 software package. 44 The structures from the X-ray diffraction analysis were used as starting guess. All the molecular geometries were completely optimized with no constraints. We used the B3LYP hybrid functional  45  together with the LANL2DZ basis set for both Fe and I, and the 6-31G(d) basis set for the other atoms to calculate the optimized geometries and vibrational frequencies. Relaxed PES scans for 1 and 5 were obtained at the same level of theory. The solvent influence was treated by using the polarized continuum model (IEF PCM)  46  with the default parameters for THF. The pKa values were calculated from the Gibbs energy of the homodesmic reaction between the studied and probe aromatic substrates.
ACKNOWLEDGMENT This work was supported by the  Ministère de lʼEnseignement supérieur, de la Recherche et de lʼInnovation  (grant to M. T. ) and the  Université de Rennes 1. We also thank the  Centre National de la Recherche Scientifique , the  Institut Universitaire de France  and  Rennes Métropole. We acknowledge  FEDER  ( D8   VENTURE Bruker AXS diffractometer ) and Thermofisher (generous gift of H-TMP).
Background. The ELKa system is composed of computer software, with a database of nutrients, and a dedicated USB kitchen scale. It was designed to automatize the everyday calculations of food exchanges and prandial insulin doses. Aim. To investigate the influence of the ELKa on metabolic control in children with type 1 diabetes mellitus (T1DM). Methods. A randomized, parallel, open-label clinical trial involved 106 patients aged <18 years with T1DM, HbA 1C ≤ 10%, undergoing intensive insulin therapy, allocated to the intervention group, who used the ELKa ( = 53), or the control group ( = 53), who used conventional calculation methods. Results. After the 26-week follow-up, the intention-to-treat analysis showed no differences to all endpoints. In per protocol analysis, 22/53 (41. 5%) patients reporting ELKa usage for >50% of meals achieved lower HbA 1C levels ( = 0.
002), lower basal insulin amounts ( = 0. 049), and lower intrasubject standard deviation of blood glucose levels ( = 0. 023) in comparison with the control. Moreover, in the intervention group, significant reduction of HbA 1C level, by 0. 55% point ( = 0. 002), was noted. No intergroup differences were found in the hypoglycemic episodes, BMI-SDS, bolus insulin dosage, and total daily insulin dosage. Conclusions. The ELKa system improves metabolic control in children with T1DM under regular usage. The trial is registered at ClinicalTrials. gov, number NCT02194517.
A parent of our former patient developed the ELKa system (Orcan, Warsaw, Poland) to simplify and shorten everyday calculations of CHO units and fat-protein units of homemade food with a constant precision of the results  [7]. The toolset consists of an ELKa Windows5 application, distributed as freeware in both Polish and English versions, and an ELKaPlus digital kitchen scale (Figure  1 ). During the meal preparation, the user creates or reloads the list of ingredients in the software basing on an incorporated ample food database and weighs them on the ELKaPlus kitchen scale. The scale transmits the weight of the ingredients in real-time to the computer via a USB port. As a result, the user receives automatically calculated data with the number of calories, CHO, fat, and protein content in the meal.