cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.21227/mddf-qn59
title: Electronic nose data set for seafood quality assessment

description: The e-nose device used in this study was constructed using a gas sensor array, LCD display, micro air pumps for inhalation and exhalation, a microcontroller, and a mini-PC. Gas samples from the sample chamber were periodically drawn into the device through a hose. Each sample underwent a 30-hour sampling process at room temperature (25°C). The sampling frequency was 15 times per hour, resulting in 60 records per sample. Overall, the experiment yielded a dataset comprising 108,000 records (4 samples × 30 hours × 15 sampling/hour × 60 records). To categorize the recorded data, it was labeled based on quality and microbial population, with reference to established standards. The growth of microbial populations was determined using the Food Spoilage and Safety Predictor (FSSP), a software tool designed to predict the growth of spoilage and pathogenic microorganisms in food. The dataset includes seven features related to the gas sensors used (MQ136, MQ137, MQ5, MQ8) and two labels: TVC and Label. TVC represents the continuous label of microbial population and is calculated using the FSSP calculation from log (cfu/g) values. The Label indicates the discrete label of seafood quality, classified as "accept" or "reject." Seafood quality is considered "accepted" when the log (cfu/g) value is below 4.3, a threshold determined based on laboratory tests conducted on rejected samples.
DOI: 10.6084/m9.figshare.23001737
title: Additional file 1 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 1. Figure S1. Study design for the targeted and global metabolomics analysis of extraction methods. Biological samples and spiked solvents are simultaneously prepared. From stock solutions, MI and MII are diluted at different concentrations in five solvents. Plasma and serum samples are prepared from pooled of 7 donors. Five extractions methods are applied in both plama and serum matrices in triplicate. For each method, we generatetwelve plasma and serum extracts spiked with MI,three plasma and serum extracts spiked with MII,three plasma and serum extracts unspiked, andsix neat solventsspiked with MII. The next of protocol is described in materiel and methods part. MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile.
DOI: 10.6084/m9.figshare.23001737.v1
title: Additional file 1 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 1. Figure S1. Study design for the targeted and global metabolomics analysis of extraction methods. Biological samples and spiked solvents are simultaneously prepared. From stock solutions, MI and MII are diluted at different concentrations in five solvents. Plasma and serum samples are prepared from pooled of 7 donors. Five extractions methods are applied in both plama and serum matrices in triplicate. For each method, we generatetwelve plasma and serum extracts spiked with MI,three plasma and serum extracts spiked with MII,three plasma and serum extracts unspiked, andsix neat solventsspiked with MII. The next of protocol is described in materiel and methods part. MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile.
DOI: 10.6084/m9.figshare.23001743
title: Additional file 2 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 2: Figure S2. Customs parameters used for data processing with Compound Discoverer software.
DOI: 10.6084/m9.figshare.23001743.v1
title: Additional file 2 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 2: Figure S2. Customs parameters used for data processing with Compound Discoverer software.
DOI: 10.6084/m9.figshare.23001746
title: Additional file 3 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 3: Figure S3. Quality analysis of plasmatic and serum extracts by SDS PAGE SDS-PAGE of loaded and eluted plasma and serum proteins, after five different deproteinizations. 1: Molecular Weight marker; 2: neat MeOH; 3: Plasma extract with MeOH; 4: neat MeOH:ACN; 5: Plasma extract MeOH:ACN; 6: neat ACN, 7: Plasma extract with ACN, 8: neat hybrid-SPE with ACN, 9: Plasma extract with hybrid-SPE with ACN; 10: neat hybrid-SPE with MeOH; 11: Plasma extract with hybrid-SPE with MeOH; 12: Molecular Weight marker; 13: neat MeOH; 14: Serum extract with MeOH; 15: neat MeOH:ACN; 16: Serum extract MeOH:ACN; 17: neat ACN, 18: Serum extract with ACN, 19: neat hybrid-SPE with ACN, 20: Serum extract with hybrid-SPE with ACN; 21: neat hybrid-SPE with MeOH; 22: Serum extract with hybrid-SPE with MeOH.
DOI: 10.6084/m9.figshare.23001746.v1
title: Additional file 3 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 3: Figure S3. Quality analysis of plasmatic and serum extracts by SDS PAGE SDS-PAGE of loaded and eluted plasma and serum proteins, after five different deproteinizations. 1: Molecular Weight marker; 2: neat MeOH; 3: Plasma extract with MeOH; 4: neat MeOH:ACN; 5: Plasma extract MeOH:ACN; 6: neat ACN, 7: Plasma extract with ACN, 8: neat hybrid-SPE with ACN, 9: Plasma extract with hybrid-SPE with ACN; 10: neat hybrid-SPE with MeOH; 11: Plasma extract with hybrid-SPE with MeOH; 12: Molecular Weight marker; 13: neat MeOH; 14: Serum extract with MeOH; 15: neat MeOH:ACN; 16: Serum extract MeOH:ACN; 17: neat ACN, 18: Serum extract with ACN, 19: neat hybrid-SPE with ACN, 20: Serum extract with hybrid-SPE with ACN; 21: neat hybrid-SPE with MeOH; 22: Serum extract with hybrid-SPE with MeOH.
DOI: 10.6084/m9.figshare.23001749
title: Additional file 4 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 4: Figure S4. Heatmaps reflecting the peak area of standard unlabeled analytes from plasmaand serumHeatmap, reflecting the response of the detected unlabeled standards from plasmavs. serumunder five extraction methodswithin four LC-MS analysis. Colour coding: signal responseincreases from light to dark green ; White box : unidentified standard MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction; ESI : electrospray ionisation; RP: reverse phase.
DOI: 10.6084/m9.figshare.23001749.v1
title: Additional file 4 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 4: Figure S4. Heatmaps reflecting the peak area of standard unlabeled analytes from plasmaand serumHeatmap, reflecting the response of the detected unlabeled standards from plasmavs. serumunder five extraction methodswithin four LC-MS analysis. Colour coding: signal responseincreases from light to dark green ; White box : unidentified standard MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction; ESI : electrospray ionisation; RP: reverse phase.
DOI: 10.6084/m9.figshare.23001752
title: Additional file 5 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 5: Table S1. List of isotopic unlabeled and labeled standard analytes. Following information include specifications, stock solution concentrations stored at -80°C, and final solution preparations for each standards. Different final concentrationsare diluted in five solvents, acetonitrile, 0,1% formic acid/methanol, and 0,1% formic acid/acetonitrile) for each standards. A calibration curve is then created for the assessment of linearity, sensitivity and matrix effects. MI : 7 labeled standard mixed; MII : unlabeled organic acid commercial mix.
DOI: 10.6084/m9.figshare.23001752.v1
title: Additional file 5 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 5: Table S1. List of isotopic unlabeled and labeled standard analytes. Following information include specifications, stock solution concentrations stored at -80°C, and final solution preparations for each standards. Different final concentrationsare diluted in five solvents, acetonitrile, 0,1% formic acid/methanol, and 0,1% formic acid/acetonitrile) for each standards. A calibration curve is then created for the assessment of linearity, sensitivity and matrix effects. MI : 7 labeled standard mixed; MII : unlabeled organic acid commercial mix.
DOI: 10.6084/m9.figshare.23001755
title: Additional file 6 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 6. Table S2. List of compound expected containing name, formula and molecular weight of standards imported in search mass lists parameter from CD3.3.
DOI: 10.6084/m9.figshare.23001758
title: Additional file 7 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 7. Table S3. Quality analysis of plasmatic and serum extracts by BCA assayThis table shows the protein concentrationin neat solventsand after plasma / serum extractions by BCA assay. MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile, SPE : solid preparation extraction.
DOI: 10.6084/m9.figshare.23001761
title: Additional file 8 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 8. Table S4. Ratio of remaining proteins to total proteins in plasma and serum for all extraction methods. The remaining protein results were obtained after BCA assay and the values were in Table I. Total proteins in plasma and serum refer to concentration of 70.000 ug/mL. MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction; ESI : electrospray ionisation; RP: reverse phase.
DOI: 10.6084/m9.figshare.23001764
title: Additional file 9 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 9. Table S5. Overlap coverage between plasma and serum using the same method and analysed with the same LC-MS protocol.MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction; ESI : electrospray ionisation; RP: reverse phase.
DOI: 10.6084/m9.figshare.23001767
title: Additional file 10 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 10. Table S6. Unlabeled and labeled standard analytes used in the study. Mass weight expected and retention times are obtained from CD3.3 with several database onlines. Retention times are analyzed in either ESI mode of each column. ND stands for not detected. For details on the usage and fate of analytes in experiments see next Supplementary Tables and Figures. ESI : electrospray ionisation; RP: reverse phase.
DOI: 10.6084/m9.figshare.23001767.v1
title: Additional file 10 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 10. Table S6. Unlabeled and labeled standard analytes used in the study. Mass weight expected and retention times are obtained from CD3.3 with several database onlines. Retention times are analyzed in either ESI mode of each column. ND stands for not detected. For details on the usage and fate of analytes in experiments see next Supplementary Tables and Figures. ESI : electrospray ionisation; RP: reverse phase.
DOI: 10.6084/m9.figshare.23001770
title: Additional file 11 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 11. Table S7. Number of unlabeled and labeled detected standard in different protocols. All analytes are detected from CD3.3.MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction; ESI : electrospray ionisation; RP: reverse phase.
DOI: 10.6084/m9.figshare.23001770.v1
title: Additional file 11 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 11. Table S7. Number of unlabeled and labeled detected standard in different protocols. All analytes are detected from CD3.3.MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction; ESI : electrospray ionisation; RP: reverse phase.
DOI: 10.6084/m9.figshare.23001773
title: Additional file 12 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 12. Table S8. Summary of repeatabilityfor unlabeled standard analytes across all extraction methods and LC-MS analyses. The table displays a mean relative standard deviationfor plasma vs. serum in each LC-MS conditions . Empty boxes stands not detected.MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction; ESI : electrospray ionisation; RP: reverse phase.
DOI: 10.6084/m9.figshare.23001776
title: Additional file 13 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 13. Table S9. Summary of repeatabilityfor labeled standard analytes across all extraction methods and LC-MS analyses. The table displays a mean relative standard deviationfor plasma vs. serum in each LC-MS conditions . Empty boxes stands not detected.MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction; ESI : electrospray ionisation; RP: reverse phase.
DOI: 10.6084/m9.figshare.23001779
title: Additional file 14 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 14. Table S10. Summary of linearityfor labeled standard analytes across all extraction methods and LC-MS analyses. The table displays a mean r2for plasma vs. serum in each LC-MS conditions . Empty boxes stands not detected. MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction; ESI : electrospray ionisation; RP: reverse phase.
DOI: 10.6084/m9.figshare.23001779.v1
title: Additional file 14 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 14. Table S10. Summary of linearityfor labeled standard analytes across all extraction methods and LC-MS analyses. The table displays a mean r2for plasma vs. serum in each LC-MS conditions . Empty boxes stands not detected. MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction; ESI : electrospray ionisation; RP: reverse phase.
DOI: 10.6084/m9.figshare.23001782
title: Additional file 15 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 15. Table S11. Summary of sensitivityfor labeled standard analytes across all extraction methods and LC-MS analyses. Sensitivity is given by the calibration curve slope, and the LOD and LOQ values are calculated as those corresponding to the signal-to-noise ratios of 3:1 and 10:1, respectively. The table displays a mean of LOD and LOQfor plasma vs. serum in each LC-MS conditions. Empty boxes stands not detected. LOD : limit of detection; LOQ : limit of quantitation; MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction; ESI : electrospray ionisation; RP: reverse phase.
DOI: 10.6084/m9.figshare.23001785
title: Additional file 16 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 16. Table S12. Summary of matrix observed effects observed for labeled standard analytes across all extraction methods and LC-MS analyses. Not all analytes were successfully detected in plasma or serum. Matrix effect in the range of 0.80 &lt; ME &lt; 1.20 are considered as negligible and labelled as “no matrix effect”. ME values below 0.80 were considered as ion suppression, and those above 1.20 as ion enhancement. Empty boxes stands not detected. MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction; ESI : electrospray ionisation; RP: reverse phase.
DOI: 10.6084/m9.figshare.23001788
title: Additional file 17 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 17. Table S13: Number of putative metabolites detected and mean RSD in different protocols with ratio 1:3.
DOI: 10.6084/m9.figshare.23001788.v1
title: Additional file 17 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 17. Table S13: Number of putative metabolites detected and mean RSD in different protocols with ratio 1:3.
DOI: 10.6084/m9.figshare.23001791
title: Additional file 18 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 18. Table S14: Unlabeled and labeled standard analytes used in the study. Mass weight expected, retention times and m/z are obtained from CD3.3 with several database onlines. MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction.
DOI: 10.6084/m9.figshare.23001791.v1
title: Additional file 18 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 18. Table S14: Unlabeled and labeled standard analytes used in the study. Mass weight expected, retention times and m/z are obtained from CD3.3 with several database onlines. MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction.
DOI: 10.6084/m9.figshare.23001797
title: Additional file 19 of Comparison between 5 extractions methods in either plasma or serum to determine the optimal extraction and matrix combination for human metabolomics

description: Additional file 19. Table S15: Plasma chromatograms highlighting the differences between sample preparation protocols.The chromatograms were obtained using the Freestyle software. MeOH : methanol; MeOH:ACN : methanol combined with acetonitrile; ACN: acetonitrile; SPE : solid preparation extraction.
DOI: 10.6084/m9.figshare.23001811
title: Additional file 1 of Rationale and development of an e-health application to deliver patient-centered care during treatment for recently diagnosed multiple myeloma patients: pilot study of the MM E-coach

description: Additional file 1: Fig. S1. Mockup example of a medication overview for patients of one of the treatment schedules (Rd; lenalidomide/dexamethasone and co-medication). The text boxes next to the date display time by day or week; The columns represent medication type, medication dose, medication time and additional instructions. Fig. S2. Medication overview of one of the treatment schedules (KRd; carfilzomib/lenalidomide/dexamethasone and co-medication). The menu to the left is identical to figure 3; the columns to the right are comparable to figure S1. Fig. S3. Medication registration page. The menu to the left is comparable to figure 3. Each line represents one medication with information, for example acetylsalicylzuur translates to acetylsalicylic acid and the bold text to ‘dosing’, ‘aim’, ‘brand types’, ‘time of preference’, ‘side effects’, ‘additional remarks’. Fig. S4. Outpatient visit preparation questionnaire (not showing blank space). The menu to the left is comparable to figure 3 and marks ‘Outpatient clinic preparation’. The text contains an introduction asking patients what complaints or side effects they experience at that give moment and states that a patient can tick as many boxes as apply to that moment. Then every line represents one complaint, for example ‘Braken’ means ‘Vomiting’. Fig. S5. Periodic assessment, one question example. The menu to the left is comparable to figure 3 and marks ‘Periodic check’. The question translates to ‘How would you judge your health during the last week?’ and the answers range from ‘very bad’ to ‘excellent’. Fig. S6. Ad hoc complaint form completed, followed by advice. This displays the healthcare provide account, zooming in on one specific part of a questionnaire that was filled out by a patient. The second yellow alert line states the question ‘Do you experience vomiting for more than 24 hours’, as a follow-up question when the patient has ticked ‘vomiting’ in the list in figure S4. At the most right it states that the patient has answered ‘Nee’ (No). Fig. S7. Healthcare provider alert list, including one active alert. This displays the healthcare provider account, highlighting the ‘Interventielijst’ (List of interventions) that indicates a red alert for a given patient at a given time.