cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.21936045.v1
title: Estimation of daily intake of food additives by Japanese young children using the market basket method in 2018

description: To estimate the daily intake of food additives by young children aged 1–6 years in Japan, an intake survey was conducted in 2018 using the market basket method for food additives, including twelve types of colourants, three kinds of preservatives, three kinds of sweeteners and two kinds of food manufacturing agents. A list of the daily consumption of processed foods was prepared based on a special survey (MHLW 2011) and used for the estimation. The results of the survey showed that the food additives with the highest daily intake were phosphorus compounds (phosphoric acid and its salts; 11.2 mg/kg bw/day, expressed as phosphorus), followed by propylene glycol (0.80 mg/kg bw/day). The daily intake of other food additives ranged from 0 to 0.20 mg/kg bw/day. The estimated daily intake of each food additives by young children was compared with the acceptable daily intake (ADI) or maximum tolerable daily intake (MTDI). The highest ratio of the estimated daily intake to ADI was 3.2% for propylene glycol, whereas the ratios of the estimated daily intake to ADI for colourants, preservatives and sweeteners ranged from 0 to 1.1% (benzoic acid). The ratio of the estimated daily intake to MTDI for phosphorus compounds was 16%.
DOI: 10.6084/m9.figshare.21968112
title: Assessment and validation of the p-QuEChERS sample preparation methodology for the analysis of &gt;200 veterinary drugs in various animal-based food matrices

description: The need remains for veterinary multi-residue methods that reliably quantify and identify veterinary drugs in the various animal-based food matrices. Such a method should not only show good method performance parameters (e.g. recoveries of analytes) but must also be fast and cheap. The proposed method focused on the following points: acceptable analyte trueness (recovery) and precision for a large number (200) of diverse veterinary drugs in the relevant animal-based food matrices (egg, muscle, fatty fish, liver, kidney, and honey). The sample preparation method termed p-QuEChERS uses a salt mixture consisting of potassium phosphates to induce phase separation. The avoidance of conventional QuEChERS salts (e.g. magnesium sulphate) significantly improves recoveries of several critical analytes. Analyte recoveries were further improved by adding a centrifugation and a defatting step before initiating the salt-induced phase separation. This combined clean-up removes a large fraction of the potentially interfering matrix compounds. As a result, matrix effects in the electrospray interface were minimized. These factors were the basis for the obtained good validation data. Two types of high-resolution mass spectrometers coupled to liquid chromatography were compared for analysis. In comparison with conventional QuEChERS, the proposed p-QuEChERS concept improved the recovery of polar analytes such as penicillins, tetracyclines and quinolones. The simplicity of the procedure and the low consumable expenses make the method ideal for the routine control of veterinary drugs in all evaluated animal-based food matrices.
DOI: 10.6084/m9.figshare.21968112.v1
title: Assessment and validation of the p-QuEChERS sample preparation methodology for the analysis of &gt;200 veterinary drugs in various animal-based food matrices

description: The need remains for veterinary multi-residue methods that reliably quantify and identify veterinary drugs in the various animal-based food matrices. Such a method should not only show good method performance parameters (e.g. recoveries of analytes) but must also be fast and cheap. The proposed method focused on the following points: acceptable analyte trueness (recovery) and precision for a large number (200) of diverse veterinary drugs in the relevant animal-based food matrices (egg, muscle, fatty fish, liver, kidney, and honey). The sample preparation method termed p-QuEChERS uses a salt mixture consisting of potassium phosphates to induce phase separation. The avoidance of conventional QuEChERS salts (e.g. magnesium sulphate) significantly improves recoveries of several critical analytes. Analyte recoveries were further improved by adding a centrifugation and a defatting step before initiating the salt-induced phase separation. This combined clean-up removes a large fraction of the potentially interfering matrix compounds. As a result, matrix effects in the electrospray interface were minimized. These factors were the basis for the obtained good validation data. Two types of high-resolution mass spectrometers coupled to liquid chromatography were compared for analysis. In comparison with conventional QuEChERS, the proposed p-QuEChERS concept improved the recovery of polar analytes such as penicillins, tetracyclines and quinolones. The simplicity of the procedure and the low consumable expenses make the method ideal for the routine control of veterinary drugs in all evaluated animal-based food matrices.
DOI: 10.6084/m9.figshare.21898926.v1
title: Cronologías de indicadores de crecimiento

description: Base de datos de cronologías de incremento en area basal estandarizada (BAI, basal area increment) a nivel sitio* para México. <br> Los sitios fueron descargados del Banco Internacional de Datos de Anillos de Crecimiento (ITRDB, por sus siglas en ingles) (https://www.ncei.noaa.gov/access/paleo-search/?dataTypeId=18) y estandarizadas por el método Spline con una rigidez de 2/3 de la longitud de la serie. <br> Descripción year = Año std = Incremento en area basal versión estandarizada. Los valores corresponden a series de media 1 y varianza homogénea samp.depth = Número de muestras site = Sitio <br> <br> *El archivo "Base de datos_resiliencia_Mexico" contiene la informacion de los sitios, asi como sus compiladores originales.
DOI: 10.25345/c58s4jz9z
title: MassIVE MSV000091426 - Proteomic profiling of interferon-responsive reactive astrocytes in rodent and human
title: Astrocytes are a heterogenous population of glial cells that respond to pathological insults or injury by undergoing a profound transformation called reactivity. Reactive astrocytes exhibit distinct, context-dependent cellular, molecular, and functional states that can either help or hinder tissue homeostasis. We recently identified a subtype of reactive astrocytes in the mouse brain called interferon-responsive reactive astrocytes (IRRAs), defined by interferon-responsive genes like Igtp, Ifit3, Oasl, Mx1, Cxcal10, and Gbp2 . To further this transcriptomic definition of IRRAs, we wanted to define the proteomic changes that occur in this sub-state.
DOI: 10.5517/ccdc.csd.cc20t5st
title: CCDC 1871246: Experimental Crystal Structure Determination

description: Related Article: Ryoji TANAKA|2022|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc20t5tv
title: CCDC 1871247: Experimental Crystal Structure Determination

description: Related Article: Ryoji TANAKA|2022|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc20t635
title: CCDC 1871256: Experimental Crystal Structure Determination

description: Related Article: Ryoji TANAKA|2022|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc20t5vw
title: CCDC 1871248: Experimental Crystal Structure Determination

description: Related Article: Ryoji TANAKA|2022|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2b73sh
title: CCDC 2151796: Experimental Crystal Structure Determination

description: Related Article: Weiping Su, Hongyi Li, Chang Yin, Sien Liu, Hua Tu, Ping Lin, Jing Chen|2022|CSD Communication|||
description: Related Article: Hongyi Li, Chang Yin, Sien Liu, Hua Tu, Ping Lin, Jing Chen, Weiping Su|2022|Chemical Science|13|13843|doi:10.1039/D2SC05370E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2btd1m
title: CCDC 2169350: Experimental Crystal Structure Determination

description: Related Article: Shuo Li, Zhi-Yuan Zhang, Jing-Fang Lv, Ling Li, Jian Li, Chunju Li|2023|J.Mater.Chem.A|11|4957|doi:10.1039/D2TA09993D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2btd2n
title: CCDC 2169351: Experimental Crystal Structure Determination

description: Related Article: Shuo Li, Zhi-Yuan Zhang, Jing-Fang Lv, Ling Li, Jian Li, Chunju Li|2023|J.Mater.Chem.A|11|4957|doi:10.1039/D2TA09993D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2btd3p
title: CCDC 2169352: Experimental Crystal Structure Determination

description: Related Article: Shuo Li, Zhi-Yuan Zhang, Jing-Fang Lv, Ling Li, Jian Li, Chunju Li|2023|J.Mater.Chem.A|11|4957|doi:10.1039/D2TA09993D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2btd4q
title: CCDC 2169353: Experimental Crystal Structure Determination

description: Related Article: Shuo Li, Zhi-Yuan Zhang, Jing-Fang Lv, Ling Li, Jian Li, Chunju Li|2023|J.Mater.Chem.A|11|4957|doi:10.1039/D2TA09993D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2btd5r
title: CCDC 2169354: Experimental Crystal Structure Determination

description: Related Article: Shuo Li, Zhi-Yuan Zhang, Jing-Fang Lv, Ling Li, Jian Li, Chunju Li|2023|J.Mater.Chem.A|11|4957|doi:10.1039/D2TA09993D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2byfvl
title: CCDC 2173250: Experimental Crystal Structure Determination

description: Related Article: Masahisa Osawa, Sakie Soma, Hiroyuki Kobayashi, Yuya Tanaka, Mikio Hoshino|2023|Dalton Trans.|52|2956|doi:10.1039/D2DT03785H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2byfwm
title: CCDC 2173251: Experimental Crystal Structure Determination

description: Related Article: Masahisa Osawa, Sakie Soma, Hiroyuki Kobayashi, Yuya Tanaka, Mikio Hoshino|2023|Dalton Trans.|52|2956|doi:10.1039/D2DT03785H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ckm3p
title: CCDC 2191672: Experimental Crystal Structure Determination

description: Related Article: Diana Cebotari, Sergiu Calancea, Jerôme Marrot, Régis Guillot, Clément Falaise, Vincent Guérineau, David Touboul, Mohamed Haouas, Aurelian Gulea, Sébastien Floquet|2023|Dalton Trans.|52|3059|doi:10.1039/D2DT03760B
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15151/esrf-es-1096280400
title: The Institute of Structural and Molecular Biology (ISMB) application for beam time, comprising groups from Birkbeck College, UCL and the Que

description: The ISMB spans Birkbeck and UCL with researchers in the core Departments at Birkbeck Biological Sciences and several UCL Research Departments. Research groups from Queen Mary University of London (QMUL) and Kingston University (KU) are joint co-applicants as they have strong links and collaborations with groups from ISMB. All groups share common interests in disciplines including structural, chemical, molecular and cell biology; using multidisciplinary andmultiscalar approaches. ISMB, UCL, QMUL and KU investigators, ranging from early-career research fellows to internationally-established senior academics, apply X-ray crystallography carried out mainly at our Wellcome funded facility at Birkbeck, as an essential method enabling: i) description of the atomic-level mechanistic details of macromolecules and macromolecular machines, and ii) structure-based drug discovery, while iii) complementing and supporting cryoelectron microscopy (cryo-EM) projects.
DOI: 10.6084/m9.figshare.22229365
title: Doubly robust capture-recapture methods for estimating population size

description: Estimation of population size using incomplete lists has a long history across many biological and social sciences. For example, human rights groups often construct partial lists of victims of armed conflicts, to estimate the total number of victims. Earlier statistical methods for this setup often use parametric assumptions, or rely on suboptimal plug-in-type nonparametric estimators; but both approaches can lead to substantial bias, the former via model misspecification and the latter via smoothing. Under an identifying assumption that two lists are conditionally independent given measured covariates, we make several contributions. First, we derive the nonparametric efficiency bound for estimating the capture probability, which indicates the best possible performance of any estimator, and sheds light on the statistical limits of capture-recapture methods. Then we present a new estimator, that has a double robustness property new to capture-recapture, and is near-optimal in a non-asymptotic sense, under relatively mild nonparametric conditions. Next, we give a confidence interval construction method for total population size from generic capture probability estimators, and prove non-asymptotic near-validity. Finally, we apply them to estimate the number of killings and disappearances in Peru during its internal armed conflict between 1980 and 2000.
DOI: 10.6084/m9.figshare.22229365.v1
title: Doubly robust capture-recapture methods for estimating population size

description: Estimation of population size using incomplete lists has a long history across many biological and social sciences. For example, human rights groups often construct partial lists of victims of armed conflicts, to estimate the total number of victims. Earlier statistical methods for this setup often use parametric assumptions, or rely on suboptimal plug-in-type nonparametric estimators; but both approaches can lead to substantial bias, the former via model misspecification and the latter via smoothing. Under an identifying assumption that two lists are conditionally independent given measured covariates, we make several contributions. First, we derive the nonparametric efficiency bound for estimating the capture probability, which indicates the best possible performance of any estimator, and sheds light on the statistical limits of capture-recapture methods. Then we present a new estimator, that has a double robustness property new to capture-recapture, and is near-optimal in a non-asymptotic sense, under relatively mild nonparametric conditions. Next, we give a confidence interval construction method for total population size from generic capture probability estimators, and prove non-asymptotic near-validity. Finally, we apply them to estimate the number of killings and disappearances in Peru during its internal armed conflict between 1980 and 2000.
DOI: 10.5281/zenodo.7706625
title: Assessment of the possibility of using various types of biomass after microwave-assisted hydrotropic pretreatment in bioconversion processes on the example of alcoholic fermentation.

description: Results concerning the composition of fermentation substrates obtained from lignocellulosic biomass of various origins after microwave pre-treatment. HPLC analyzes of substrates before and during the alcoholic fermentation process. FTIR, XRD and NMR spectra and SEM images of biomass after pre-treatment under high pressure conditions. The work was supported by the National Science Centre, Poland, grant No. 2020/37/B/NZ9/00372.
DOI: 10.5281/zenodo.7706624
title: Assessment of the possibility of using various types of biomass after microwave-assisted hydrotropic pretreatment in bioconversion processes on the example of alcoholic fermentation.

description: Results concerning the composition of fermentation substrates obtained from lignocellulosic biomass of various origins after microwave pre-treatment. HPLC analyzes of substrates before and during the alcoholic fermentation process. FTIR, XRD and NMR spectra and SEM images of biomass after pre-treatment under high pressure conditions. The work was supported by the National Science Centre, Poland, grant No. 2020/37/B/NZ9/00372.
DOI: 10.5281/zenodo.7706649
title: amazona_amazonica_spades_01.fasta.gz

description: .
DOI: 10.5281/zenodo.7706648
title: amazona_amazonica_spades_01.fasta.gz

description: .
DOI: 10.6084/m9.figshare.21183517
title: FLIM Image Files, Masks, and Classification

description: FLIM images of mouse lung tissue in HDF5 format (images.hdf5). Images are organized in the following hierarchy: Image name &gt; fluorescence acquisition channel &gt; phasor component ('g' or 's') or fluorescence intensity ('int') <br> Cell nuclei masks in HDF5 format (masks.hdf5) includes the associated mask images for a subset of the FLIM images, organized by FLIM image name. Each individual mask has a unique numerical value that also identifies it for the cell classification CSV. <br> Cell classification dataset (cell_class.csv) includes the individual cell classification names for a subset of the FLIM images, organized by FLIM image name, tissue (classification), mask value, and location of the centroid of the mask (x and y). <br> Scripts to access the data and run the models available on Github (link below). <br> <br>
DOI: 10.6084/m9.figshare.19949708
title: HPL - Multi-cancer 5x

description: Pre-trained weights on Barlow Twins Multi-cancer at 5X magnification with 60% background limit.
DOI: 10.6084/m9.figshare.19949708.v1
title: Phenotype Representation Learning (PRL) - PanCancer 5x

description: Pre-trained weights on Barlow Twins PanCancer at 5X magnification with 60% background limit.
DOI: 10.5281/zenodo.7706652
title: Antelope Valley Earthquake Sequence Relocated Catalog

description: Relocated earthquake catalog for the Antelope Valley Earthquake sequence in GrowClust output format. This is a space-delimited file with the following columns: yr mon day hr min sec: relocated origin time (columns 1-6) evid: event ID (column 7) latR lonR depR: relocated latitude, longitude and depth (decimal degrees and km; columns 8-10) mag: event magnitude (column 11) qID cID nbranch: event serial ID number, cluster serial ID number, total number of events in this cluster (columns 12-14) qnpair qndiffP qndiffS: number of event pairs, P-phase differential times, and S-phase differential times used to relocate this event (columns 15--17) rmsP rmsS: RMS residual differential times for this event for P-phases and S-phases (s; columns 18-19) eh ez et: estimated location errors in horizontal (km), vertical (km), and origin time (s; columns 20-22) latC lonC depC: initial (catalog) latitude, longitude and depth (decimal degrees and km; columns 23-25) Note that events that are not waveform relocated with have nbranch = 1. This includes the mainshock and several other large events, which typically have waveforms that are too complex to be confidently relocated with waveform cross-correlation.
DOI: 10.5281/zenodo.7706651
title: Antelope Valley Earthquake Sequence Relocated Catalog

description: Relocated earthquake catalog for the Antelope Valley Earthquake sequence in GrowClust output format. This is a space-delimited file with the following columns: yr mon day hr min sec: relocated origin time (columns 1-6) evid: event ID (column 7) latR lonR depR: relocated latitude, longitude and depth (decimal degrees and km; columns 8-10) mag: event magnitude (column 11) qID cID nbranch: event serial ID number, cluster serial ID number, total number of events in this cluster (columns 12-14) qnpair qndiffP qndiffS: number of event pairs, P-phase differential times, and S-phase differential times used to relocate this event (columns 15--17) rmsP rmsS: RMS residual differential times for this event for P-phases and S-phases (s; columns 18-19) eh ez et: estimated location errors in horizontal (km), vertical (km), and origin time (s; columns 20-22) latC lonC depC: initial (catalog) latitude, longitude and depth (decimal degrees and km; columns 23-25) Note that events that are not waveform relocated with have nbranch = 1. This includes the mainshock and several other large events, which typically have waveforms that are too complex to be confidently relocated with waveform cross-correlation.