dataesr/scientific-paragraphs-categorization huggingface dataset:
Conclusions The solubilities of amygdalin in {ethanol (1) + water (2)} mixtures were determined at different temperatures. The maximum solubility was obtained in 0. 4-mole fraction of ethanol at 328. 15 K and the lowest one in pure ethanol at 293. 15 K. The amygdalin solubility was calculated using the van't Hoff, Jouyban-Acree-van't Hoff, and Buchowski-Ksiazczak models, the data obtained using the Jouyban-Acree-van't Hoff model showing important deviations with respect to experimental solubility; however, the van't Hoff and Buchowski-Ksiazczak models showed a good correlation with the experimental data. As for solution thermodynamics, an endothermic process was observed, with a pronounced enthalpic contribution, but with entropic conduction. The IKBI approach demonstrated that amygdalin is preferentially solvated by water in ethanol-rich mixtures, which is consistent with the decrease in amygdalin solubility by the addition of ethanol.
Yogurt in vitro dynamic digestion and characterisation of digesta samples A commercially available, natural yogurt (pH 4. 2) was used. The yogurt was obtained from cow's milk and contained 3. 5 wt% fat, 4. 5 wt % protein and 6. 6 wt% carbohydrates, according to the information provided by the producer (Danone). The yogurt (120 g) was put through the dynamic in vitro gastrointestinal digestion simulator DIDGI® (Fig. 1A ,  (Ménard et al. , 2014) ), mimicking the adult human gastric and small intestinal conditions. The digestion was done in triplicate, following the procedure described before  (Ménard, Famelart, et al. , 2018) , with some modifications. The specific gastrointestinal digestion parameters applied have been summarised in Table  1. The flow of enzyme secretions, prepared with either simulated gastric fluid (SGF) or simulated intestinal fluid (SIF; Table  1 ), as well as the emptying rates and pH, were continuously monitored using the STORM® software of the DIDGI® system (INRAE, France).
0 software (Media Cybernetics Inc. , Silver Spring, MD, USA). The diffusion coefficient was calculated from the fluorescence profiles using the following equation, F(x,t) = a × erfc (x/(4Dt) 1/2 ), where F is the fluorescence of digesta stained for lipids described as a function of distance from the starting boundary x and time t. Here, a is an arbitrary scalar, erfc is the complimentary error function and D is the diffusion coefficient of the fluorescent lipids. All experiments were performed for mucus samples obtained from 3 to 5 individual pigs, piglets or humans, and at least three times (i. e. , for three separate mucus specimens) for each individual mucus source. Results are presented as the mean ± SD and/or distributions of data from measurements, for each condition used. Statistical comparisons between two groups were made using a Student's t-test, and three (or more) groups were evaluated using 1-way ANOVA (significance level, α = 0.
Acknowledgements The work was supported by the  Polish National Agency for Academic Exchange NAWA  through a  Bekker Programme grant  ( PPN/BEK/2018/ 1/00073 ). The work was co-funded by the  BBSRC, UK  (research grant  BBS/E/F/00044424 ). A. M. , O. M. and D. D. are participants of the  INFOGEST international network on Food Digestion. The funding sources had no role in study design; in the collection, analysis and interpretation of data; in preparation of the manuscript; or in the decision to submit the article for publication.
Only expert opinions that obtained a strong consensus were finally adopted. Scope of recommendations: eight fields were defined: (1) severity assessment and initial triage; (2) diagnostic approach and role of toxicological analyses; (3) supportive care; (4) decontamination; (5) elimination enhancement; (6) place of antidotes;  (7)  specificities related to recreational drug poisoning; and (8) characteristics of cardiotoxicant poisoning. A literature search was conducted on the PubMed and Cochrane Medline databases. To be included in the analysis, publications had to be written in French or English. The literature review focused on recent data according to an order of assessment ranging from meta-analyses and randomized trials to observational studies. Summary of the results: Analysis of the literature by the experts and application of the GRADE methodology resulted in 42 recommendations.
In the presence of QRS widening (QRS ≥ 120 ms) with or without hypotension, it is proposed to initially administer a bolus of 1 to 2 mL/kg of hypertonic 8. 4% sodium bicarbonate solution (not exceeding 250 mL per administration in children weighing less than 20 kg), while monitoring serum potassium. Experimental data have shown variable chronotropic and inotropic (catecholamine-like) effects of glucagon  [214, 215]. Glucagon is generally not used alone, but in combination with other catecholamines  [71]. In adults, it is recommended to inject a bolus dose of 5 to 10 mg over 1 to 2 min (in children, 0. 05-0. 15 mg/kg-maximum 1 mg). The efficacy of glucagon on heart rate and/or blood pressure should be measured over the following minutes. When the bolus is effective, glucagon can be administered by continuous infusion at a dose of 10 mg/h (0.
Intuitively, calcium supplementation could be considered to be an antidote for calcium-channel blocker poisoning, but the only available data are based on case reports  [224]. A single observational study has reported the efficacy of a calcium supplement on mean arterial blood pressure  [225]. Calcium chloride should be preferred to calcium gluconate, because the amount of calcium delivered is threefold higher for the same volume administered. Calcium is administered as a bolus of 10 mL of 10% calcium chloride solution every 2 to 3 min up to a dose of 50 mL, possibly followed by continuous infusion at a dose of 10 mL/hour. Serum ionized calcium should be monitored to avoid exceeding a concentration of 2 mmol/L. Digoxin-specific antibody (Fab) fragments represent the treatment of choice for reversing cardiac and noncardiac signs of severe digoxin poisoning, as this treatment has decreased the mortality from 20-30% to 5-8%  [51, 226].
Acknowledgements Expert coordinators SRLF:  Bruno Mégarbane ,  Réanimation Médicale et Toxicologique, Hôpital Lariboisière ,  INSERM UMRS-1144 ,  Université de Paris, Paris, France ; bruno. megarbane@lrb. aphp. fr;SFMU:  Mathieu Oberlin ,  Structure d'Urgences, Hôpitaux Universitaires de Strasbourg, 67000 Strasbourg, France ; mathieu. oberlin@outlook. frOrganizers SRLF:  Charles Cerf ,  Service de Réanimation Polyvalente , Hôpital.
58 inally, we can imagine in somewhat utopic speculation that the establishment of traditional medical structures manned by Ngangas-healers close or connected to hospitals will both respect Gabonese traditional culture and promote a medical syncretism that will, on the long term, facilitate the transition from tradition to modernity. Purely material aspects of traditional medicine are to some extent accessible to partial modernization. This will necessitate the establishment of general guidelines defining the frame of practice. It might imply the creation of a National Order of Healers, the professionalization by training, the standardization and quality insurance of substances (Pharmacopeia) and practices resulting from National Order guidances, information exchange and database construction, national networking and collaboration, technology transfer, commercialization of best products, and finally integration of traditional medicine as a branch of the national health system.
Four undescribed alkaloids have been isolated from the bulbs of the previously unstudied Crinum scillifolium. These compounds were targeted following a state-of-the-art molecular networking strategy comprising a dereplication against in silico databases and re-ranking of the candidate structures based on taxonomically informed scoring. The unreported structures span across a variety of Amaryllidaceae alkaloids appendages. Their structures were unambiguously elucidated by thorough interpretation of their HRESIMS and 1D and 2D NMR data, and comparison to literature data. DFT-NMR calculations were performed to support the determined relative configurations of scillitazettine and scilli-N-desmethylpretazettine and their absolute configurations were mitigated by comparison between experimental and theoretically calculated ECD spectra.
Results and discussion To get a first insight into the so-far unstudied specialized metabolite content of C. scillifolium, the alkaloid extract of the bulbs and the five fractions obtained from the first chromatographic fractionation were profiled by HPLC-HRMS/MS. These data were subsequently preprocessed and organized using the feature-based molecular networking workflow  (Nothias et al. , 2019). As already pointed out, the success of this dereplication strategy highly depends on the quality and availability of MS/MS data, accounting for the stern efforts of natural product researchers being geared towards the upload of reference mass spectrometric data related to their favorite structural series  (Fox Ramos et al. , 2019b; Olivier-Jimenez et al. , 2019; Wang et al. , 2016). The annotation of the generated molecular network (Fig.
, 2019a). For this purpose, a recently implemented script by Allard and co-workers offers the opportunity to complement the score obtained between experimental spectral data and the output of computational metabolite annotation tools such as ISDB (In Silico Data Base)  (Rutz et al. , 2019). As an illustration of this annotation strategy, the tagging of a specific node is displayed both before and after this taxonomic re-ranking in Fig. S2 , Supporting Information. This refined annotation strategy provided some entry points in the generated molecular network (Fig. 1 ) and LC-DAD-MS analyses monitoring defined a shortlist of compounds seemingly amenable to isolation in sufficient amounts for full structure elucidation. These targeted structures tightly clustered with tentatively annotated nodes (2, m/z 330.
1303 and 3, m/z Fig. 1. Overall molecular network obtained from MZmine2-preprocessed HPLC-MS 2 data of C. scillifolium bulbs crude alkaloid extract and first chromatographic fractions. Triangle-shaped nodes are tentatively-tagged against ISDB and benefit from a taxonomical re-ranking of the tentative candidates (their structures are provided in Fig. S1 , Supporting Information). Nodes highlighted in orange correspond to the targeted structures (1-4) in the phytochemical workflow. (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article. ) 314. 1351) or showed up as self-loops (1, m/z 360. 1503 and 4, m/z 304. 1488). Accordingly, compounds 1-4 could be isolated following repeated chromatographic fractionations (Fig. 2 ).
Conclusion In summary, four previously undescribed Amaryllidaceae alkaloids have been obtained from Crinum scillifolium, here first studied from a chemical viewpoint. These structures were pinpointed, and their isolation streamlined, based on a molecular networking workflow benefitting from a state-of-the-art annotation strategy, including dereplication against in silico database and subsequent taxonomic reweighting. Three of the isolated structures extended the diversity of minor classes of Amaryllidaceae alkaloids, viz. tazettine, pretazettine, and norbelladines. The relative and absolute configuration assignments benefitted from extensive spectroscopic evidence. The assistance of DFT-NMR calculations fully rationalized the observed coupling constants, which might assist the structure elucidation of further related derivatives.
MZmine data pre-processing, molecular networking, ISDB spectral library search and taxonomically-informed scoring parameters The MS/MS data file were converted from the. d in-house Agilent data format to. mzXML thanks to the MS Convert Software, as included in ProteoWizard package  (Chambers et al. , 2012). All. mzXML files were further submitted to the MZmine 2v. 52 workflow. The mass detection was performed with a mass detection threshold at 1. 0E4. The ADAP chromatogram builder was obtained using a minimum group scan size of 4, a group intensity threshold of 1. 0E4, a minimum highest intensity of 1. 0E5 and m/z tolerance of 0. 05 Da or 5 ppm  (Myers et al. , 2017). The ADAP wavelets deconvolution algorithm was applied with the following settings: S/N threshold = 10, minimum feature height = 3, coefficient/area threshold = 3, peak duration range 0.
02-4. 0 min, RT wavelet range 0. 02-0. 6. MS/MS scans were paired using a m/z tolerance range of 0. 02 Da and a RT tolerance range of 1. 0 min. The chromatogram was deisotoped using the isotopic peak grouper algorithm with a m/z tolerance of 0. 02 Da or 10 ppm and a RT tolerance of 1. 0 min. Peak alignment used the join aligner module with a m/z tolerance of 0. 02 or 10 ppm (weight for m/z = 1, weight for RT = 1, absolute RT tolerance = 0. 3 min). The peak list was gap-filled with the same RT and m/z range. The. mgf preclustered data file and the corresponding. csv metadata file (for RT, areas; and formulas integration) were exported using the dedicated built-in options. A molecular network was then created using the online workflow hosted at GNPS. The data were then clustered with MS-Cluster with a parent ion mass tolerance of 2.
, 1997)  at the B3LYP/6-31G* level. Individual ECD spectra were computed by the summation of Gaussian functions  (Stephens and Harada, 2010)  using SpecDis  (Bruhn et al. , 2013)  v1. 64 software with a half-bandwith of 0. 30 eV after a bathochromic shifting of 35 nm for 1 and a sigma/gamma value of 0. 16 eV and no UV correction for 2.
Acknowledgements This study was supported by sponsorship from  Université Paris-Saclay  and  CNRS. We express our thanks to  Dr Jérôme Bignon  ( ICSN ) for performing the cytotoxicity assays. We also thank  Jean-Christophe Jullian  ( BioCIS ) for NMR acquisition. Leo Gohrs (Alionis) is thanked for the donation of computing hardware.
Transactivation Assays Cells were seeded in 96-well, white, opaque, flat bottom plates at 40,000 cells per well in 150 µL of DMEM-F12 without phenol red supplemented with penicillin/streptomycin (1%) and dextran-coated charcoal-treated fetal calf serum (DCC-FCS) (5%) (test medium). Compounds were added 24 h later using automated workstation (Biomek 3000, Beckman Coulter, Villepinte, Paris), and cells were incubated at 37 • C for 16 h. Then, medium was removed, and 50 µL of test medium containing luciferin at 0. 3 mM was added per well. Luciferase activity was measured for 2 s in intact living cells after 10 min stabilization using a MicroBetaWallac luminometer (PerkinElmer). Each compound was tested at various concentrations in at least three independent experiments. For each experiment, tests were performed in quadruplicate for each concentration, and data are expressed as mean values with standard deviations.
Individual agonist dose-response curves were fitted using the sigmoid dose-response function of GraphPad Prism (version 5. 0). The equation used by Graphpad was Y = Bottom + (Top-Bottom)/(1 + 10ˆ((LogEC50-X) × HillSlope)), where X is the log of concentration and Y is the response. EC 50 (effective concentration for half-maximal luciferase activity) and IC 50 (half-maximal inhibitory concentration) values were calculated. To analyze significances, we compared individual compound treatments with controls using one-way analysis of variance (ANOVA) using the GraphPad Prism software.
Medium was removed, and 0. 1 mL of MTT solution (0. 5 mg/mL) was added to each well. The MTT-containing medium was removed 4 h after incubation, and DMSO was added to each well. After shaking, the plates were read in absorbance at 540 nm. Results were expressed as percentage of proliferation with respect to the hormone-free control (100%). Data were obtained by dose-response curves plotted as percentage of proliferation as a function of concentrations. The activation of the proliferation by PXR ligands was stable for more than 3 months for the LS174T-hPXR cell line in culture, which corresponds to 10-15 passages. During these passages, we did not observe significant variability in proliferation induction.
Lanthascreen TR-FRET PXR Competitive Binding Assay GST-hPXR-LBD (10 nM) was incubated with different concentrations (10-30 µM) of dabrafenib and SR12813 in the presence of Fluormone PXR ligand (40 nM) and Lanthascreen terbium-anti-GST antibody (10 nM). To read a LanthaScreen TR-FRET assay, the fluorimeter (PHERAstar FS; BMG LABTECH) was configured to excite the terbium donor around 340 nm, and to separately read the terbium emission peak that is centered at 490 nm and the fluorescein emission that is centered at 520 nm. Results are expressed as the signal from the fluorescein emission divided by the terbium signal to provide a TR-FRET emission ratio. Fluorescence ratio data were fitted using a sigmoidal dose-response model using GraphPad Prism (GraphPad Software Inc, San Diego, CA, USA).
Patient education should become mandatory, integrated as part of the cancer care pathway. Physicians lack the necessary time and/or means to assess patients' capacity for engagement, without adequate strategies for their support. Therefore, physicians should systematically refer all patients to patient education, where nurses can tailor their coaching of cancer patients. Trial Registration: The study protocol was approved by the IRB SUD EST I (N° EudraCT: 2016-A00113-48). All participants were given written and verbal information about the study and gave informed consent to participate.
Data Collection Phase The semi-structured interviews were carried out by two professionals: a nurse MSc (EV), female, PhD student, trained in qualitative research and a professional, trained in social psychology, female. Investigators and participants did not know each other prior to the study. The context of the study was explained to each of the participants. Each interview was conducted in one shot, in an office, face to face, with schedules organized to ensure that the professional was fully available. Confidentiality issues concerning the communication of the results and with regard to their hierarchy were addressed. Their consents were systematically collected and recorded. Interviews were fully recorded on a digital audio recorder. Each interview was transcribed in verbatim and anonymized.
Qualitative Data Analysis ] [17]  Specifically, we applied the methodology framework proposed by Braun, V. and Clarke, V. 18  1. Familiarization with the data. This phase involves reading and re-reading the data, to become immersed and intimately familiar with its content. 2. Generating initial Codes: this phase involves generating succinct codes that identify important features of the data that might be relevant to answering our research question. It involves coding the entire dataset, and after that, collating all the codes and all relevant data extracts, together for later stages of analysis. Nvivo 11 pro software (QSR International) was used to perform the analyses. 3. Searching for themes: the collection of codes was worked on in pair with the PhD researcher (VRD) to validate a comprehensive interpretation and a grouping of code elements into themes.
The epidemiologic data obtained permits a survey of the main trends of poisonings and the toxins used and to implement preventive actions. Thus, in metropolitan France, the epidemiology of acute poisonings is subject to frequent updates from the registries of the anti-poisons and toxicovigilance centers. For the first time, in 2006, 197,042 cases of human exposure have been analyzed and published  [13]. Interestingly, the vast majority (82. 5%) of poison exposure was unintentional. In Martinique, however, a comparable database is sorely lacking. Few scientific data are therefore available about the characteristics of acute poisonings in the Caribbean region. The aim of this study was to describe the clinical and sociodemographic patterns of acute poisonings in the EDs of the three main hospitals of Martinique (University Hospital of Martinique, and the general hospitals of Trinité and Lamentin).
Methods Our study was retrospective and multicentric. It was conducted over 11 years from January 2000 to December 2010 in the three main hospitals of Martinique (University Hospital of Martinique and the general hospitals of Trinité and Lamentin), according to the Helsinki principles and it was declared to our national database review board (N • : 2216995 v 0). Martinique is an overseas, insular region of France located in the Lesser Antilles of the West Indies in the eastern Caribbean Sea. One of the Windward Islands, it is directly north of Saint Lucia, northwest of Barbados and south of Dominica. The land area is about 1128 square kilometers and the population size is 376,480 inhabitants as of January 2016. We included all patients aged more than eighteen years old presenting with severe poisoning.
Only charts with severe acute poisoning were studied. We recorded epidemiological and clinical data including age and sex of the Toxics 2020, 8, 28 3 of 13 patients, the date and time of the poisoning, the toxic substance, the type of exposure, and the clinical and biological parameters at admission to the ED. Acute poisoning is defined as adverse health effects due to acute exposure (less than 24 hours) to a toxic substance, medications, drug overdose, acute drug abuse problems, chemical exposures, occupational and environmental toxins, biological agents, and envenomings  [1, 2]. Severe acute intoxication is defined as an acute poisoning requiring technical support or close surveillance  [1]. Toxic agents were classified as therapeutic drugs and chemical drugs. The subgroup of toxic agents was categorized based on the indications for use.
Statistical Analysis Results were reported as mean ± standard deviation or numbers with percentages. Bivariate statistical comparisons were conducted using the Chi-square or Fisher's exact test for categorical data and the Independent-Samples T-test for continuous data. Non-redundant variables selected by bivariate analysis (p < 0. 05) and considered clinically relevant were entered into a logistic regression model. Results were expressed as odds ratios (OR) with their 95% confidence intervals (CI). A p-value < 0. 05 was considered statistically significant. Receiver operating characteristic (ROC) curves were used to evaluate the diagnostic value of quantitative tests. The area under the curve was estimated by the method of Hanley and McNeill  [17]. All statistical analyses were carried out with Excel (2010 Microsoft corporation, Redmond, USA) and IBM SPSS Statistics for Windows, version 24 (IBM Corp.
Funding: This research was funded by  ANR  ( ANR-15-CE16-0007-01  and  ANR-18-CE16-0017 ) and performed in the framework of the  LABEX LIFESENSES  ( ANR-10-LABX-65 ) and  IHU FOReSIGHT  ( ANR-18-IAHU-0001 ) supported by  French  state funds managed by the  Agence Nationale de la Recherche  within the  Investissements d'Avenir program. S. B. was supported by a fellowship from the  ED3C doctoral program  ( Sorbonne Université ) and J. B. was supported by a fellowship from  Fondation de France  ( 2019-00000008642 ).
The results were corrected to radioactive decay. Graphical representations of radioactivity versus time were obtained. The % remaining formulations on ocular surface was calculated as the ratio of radioactivity at time t in ocular surface/initial radioactivity. The fitting of the remaining formulation versus time to a monoexponential decay equation using a single compartmental model was performed using pKSolver  [23]. A non-compartmental analysis was also performed calculating the mean residence time (MRT) and the total area under the curve (AUC) of the remaining formulations (%) versus time. All data were expressed as mean value ± standard deviation (SD). Statistical analyses were performed using one-way ANOVA test, and the level of significance was set at 5%.