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Data base containing SPME-GC-MS raw analytical data obtained and used by Quintanilla-Casas et al. (Food Chemistry, 2020, 125556). Data correspond to 82 authentic and traceable olive oil samples, declared as EVOO by the suppliers obtained in the framework of OLEUM project (EC H2020 Programme 2014–2020) from seven different EU and non-EU countries: Croatia (n=11); Slovenia (SVN) (n=8); Spain (ESP) (n=17); Italy (ITA) (n=15); Greece (GRC) (n=6); Morocco (MAR) (n=15) and Turkey (TUR) (n=10). With the aim of reflecting the real production scenario, EVOO samples in this prospective study were obtained under usual production practices for commercial purposes, and thus consisted of both monovarietal oils as well as market blends of olive cultivars typical of each geographical origin. Briefly, data correspond to SPME-GC-MS scan intensities of the specific sesquiterpene hydrocarbon (SH) ions (m/z 93, 107, 119, 135, 157, 159, 161, 189 and 204) obtained from the Total Ion Current (TIC) between the 18th to the 30th minute. Thus, 2467 scans were obtained for each m/z ion implying 22203 variables per sample.

Data base containing SPME-GC-MS raw analytical data obtained and used by Quintanilla-Casas et al. (Foods, 9: 1509). Data correspond to the volatile fingerprint of 305 authentic and traceable virgin olive oil samples produced in several EU and non-EU countries during two consecutive crop years (2016–2017 and 2017–2018), and to the information the olive oil category assigned by six official sensory panels in the framework of OLEUM project (EC H2020 Programme 2014–2020). TIC were extracted, aligned, and used to in-house validate the analytical fingerprint and to validate the screening tool to support virgin olive oil sensory panels. This screening tool was based on a PLS-DA classification approach to discriminate the virgin olive oil categories (extra virgin, virgin and lampante olive oil).

Data base containing data on the triacylclgyerol profile of genuine and adulterated olive oils obtained by Flow Injection Analysis-Heated Electrospray Ionisation-High Resolution Mass Spectrometry (FIA-HESI-HRMS). Data (total ion chromatograms) were obtained and used by Quintanilla-Casas et al. (Food Control, 2021, 123: 107851). Data correspond to relative abundances obtained for each mass signal that agreed with single positive charged sodium molecular ions and that could match with a triacylglycerol elemental formula (mass tolerance error set at 5ppm; molecular formulae calculation performed with Xcalibur 4.1. (Thermo Fisher Scientific, Bremen, Germany). This data base includes samples used in the study that were obtained by the OLEUM consortium. Samples included genuine olive oils, as well as Taylor-made adulterations blending genuine olive oils with other vegetable oils as adulterants (sunflower oli; soy oil; high oleic sunflower oil; avocado oil (refined and virgin); hazelnut oil (refined and virgin)). Blind samples are also included in the data base. Partial Least Squares-Discriminant Analysis (PLS-DA) was applied to these data to develop two independent binary models that discriminated between (i) genuine oils and blends with ≥2% of HL adulterants, and (ii) genuine oils and blends with ≥5% of HO adulterants, as described in Quintanilla-Casas et al., 2021.

Data base containing SPME-GC-MS raw analytical data (total ion chromatograms, not aligned) obtained and used by Quintanilla-Casas et al. (Foods, 9: 1509). Data correspond to the volatile fingerprint of 305 authentic and traceable virgin olive oil samples produced in several EU and non-EU countries during two consecutive crop years (2016–2017 and 2017–2018), and to the information on the sensory attributes, defects and the olive oil category assigned by six official sensory panels in the framework of OLEUM project (EC H2020 Programme 2014–2020). Briefly, data correspond to SPME-GC-MS scan intensities of the total ion chromatogram at each retention time from 5.5 to 61.96 min. These data were aligned and used to in-house validate the analytical fingerprint and to validate the screening tool to support virgin olive oil sensory panels. This screening tool was a PLS-DA classification apporach to discriminate the virgin olive oil categories (extra virgin, virgin and lampante olive oil).

Dataset containing SPME-GC-MS raw analytical data (total ion chromatograms, not aligned) obtained and used by Quintanilla-Casas et al. (LWT - Food Science and Technology 121: 108936). Data correspond to the volatile fingerprint of 174 authentic and traceable virgin olive oil samples previously graded by six official sensory panels (data from 2 outlier samples are not included) in the framework of OLEUM project (EC H2020 Programme 2014–2020). Briefly, data correspond to SPME-GC-MS scan intensities of the total ion chromatogram at each retention time from 5.5 to 61.96 min. These data were aligned and used under a fingerprinting approach by Quintanilla-Casas et al. to develop a classification model (PLS-DA approach) to verify the sensory quality of virgin olive oils, and it was suggested as an instrumental method to support sensory panels.

[Adverse Drug Reactions and CT] The xls file shows relevant information about the treatment with aripiprazole and olanzapine, as well as about their possible adverse effects and the frequency with which they occur. [Genotypes] This is a doc files where It is showm the genotype and phenotype frequencies of the analysed polymorphisms, [Objective] To assess adverse events (AEs) and safety of aripiprazole (ARI) and olanzapine (OLA) treatment. [Conclusions] OLA induced more cardiovascular changes; however, more ADRs were registered to ARI. In addition, some polymorphisms may explain the difference in the incidence of these effects among subjects., European Comission ITN Treatment H2020-MSCA-ITN-721236, Peer reviewed

The data generated or analysed during this study are obtained included in the clinical trial registry name, URL and registration number: TREATMENT-HV; EUDRACT 2018-000744-26; https://eudract.ema. europa.eu/. File1 Adverse events after the treatment with antipsychotics, Short-term treatment with aripiprazole and olanzapine had a significant influence on the metabolic parameters. However, it seems that aripiprazole provokes less severe metabolic changes., European Comission ITN Treatment H2020-MSCA-ITN-721236, Peer reviewed

File 1. This xls files shows the data related to the main charateristics used for the development and validation of the new method as long as the measures for letting assure the repeatability and intermediate precision and accuracy values. The results obtained for the pharmacokinetic parameters are also included in the file File 2 This jpg file shows the product ion spectra and chemical structures of the antipsychotics and their metabolites obtained by collision-induced dissociation (CID) of the indicated precursor ions [M+H]+. The fragmentation patterns of all analytes are indicated by an arrow on their chemical structure of each analyte. The results are presented as the percentage of counts versus Mass-to-Charge (m/z). All mass peaks have been normalized to the most abundant, A simple and sensitive liquid chromatography-tandem mass spectrometry method was developed and validated in human plasma for the simultaneous determination of aripiprazole (ARI) and its metabolite dehydro-aripiprazole (DARI); olanzapine (OLA), risperidone (RIS), paliperidone (PAL), quetiapine (QUE), clozapine (CLO) and caffeine (CAF). CAF is included to the method because it can have an influence on drug metabolism due to competitive inhibition. The above mentioned compounds and their isotope-labeled internal standards were extracted from 200 µL human plasma samples by both, effective phospholipids-eliminating three-step microelution-solid-phase extraction (µ-SPE) and protein precipitation (PPT) for comparison. A combination of formic acid (0.2%)-acetonitrile (pH 3.0; 65:35, v/v) was used as mobile phase and the chromatogram was run under gradient conditions at a flow rate of 0.6 mL/min. Run time lasted 6 min, followed by a re-equilibration time of 3 min. All analytes were monitored by mass spectrometric detection operating in multiple reaction monitoring mode and the method was validated covering the corresponding therapeutic ranges: 0.18-120 ng/mL for ARI, 0.25-80 ng/mL for DARI, 1.00-100 ng/mL for OLA, 0.70-60 ng/mL for RIS, 0.20-30 ng/mL for PAL, 0.50-160 ng/mL for QUE, 0.50-1000 ng/mL for CLO, and finally 1200-3700 ng/mL for CAF. The method was validated based on the recommendations of regulatory agencies through tests of precision, accuracy, extraction recovery, identity confirmation, trueness, matrix effect, process efficiency, stability, selectivity, linearity and carry-over effect fulfilling the guideline requirements. Our µ-SPE method results in the elimination of more than 99% of early eluting and more than 92% of late-eluting phospholipids compared to PPT. Additionally, the method was successfully applied for quantifying ARI and OLA plasma concentrations from healthy volunteers., European Comission ITN Treatment H2020-MSCA-ITN-721236, Peer reviewed

File 1. Demographic characteristics of the volunteers from the aripiprazole study. File 2. Prolactin pharmacokinetic parameters after aripiprazole and ibuprofen administration. This xls file shows the modifications in the prolactin concentrations after the administration of aripiprazole or ibuprofen A It is been shown the prolactin concentrations versus time in women and men treated with aripiprazole compared to ibuprofen File 3 Genotype Matrix. The xls file show the detected genetic polymorphism associated with the effects of aripiprazole File 4 Aripiprazole and dehydro-aripiprazole pharmacokinetic parameters. File 5 The influence of polymorphisms on prolactin concentrations., Aripiprazole treatment in schizophrenic patients was previously associated with lower or normalized prolactin levels. Genetic variants in cytochrome P450 (CYP) (CYP2D6), dopamine receptor (DRD2, DRD3) and serotonin receptor (HTR2A, HTR2C) genes were previously associated with antipsychotic-induced hyperprolactinaemia. Our aim was to evaluate whether aripiprazole affects prolactin secretion and its relationship with pharmacogenetics. Thirty-one healthy volunteers receiving a 10-mg single oral dose of aripiprazole were genotyped for 12 polymorphisms in CYP2D6, DRD2, DRD3, HTR2A and HTR2C genes by qPCR. Aripiprazole and dehydro-aripiprazole plasma concentrations were measured by HPLC-MS/MS. Prolactin concentrations of the 31 volunteers taking aripiprazole and 12 volunteers receiving ibuprofen were determined by ELISA. Prolactin concentrations after ibuprofen intake were considered as control, since it is known to cause no effect. Prolactin concentrations were slightly higher in the aripiprazole group compared to the ibuprofen group. All prolactin pharmacokinetic parameters were higher in females than in males. CYP2D6 poor and intermediate metabolizers had notably higher prolactin Cmax and AUC0-12 than normal and ultrarapid metabolizers. The DRD3 rs6280 polymorphism affected prolactin levels: volunteers carrying Ser/Ser genotype had significantly lower prolactin levels than volunteers carrying the Gly allele. Furthermore, HTR2C rs3813929 C/C homozygotes had significantly lower prolactin levels than T allele carriers. Nevertheless, aripiprazole did increase prolactin levels compared to ibuprofen., European Comission ITN Treatment H2020-MSCA-ITN-721236, Peer reviewed