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1,923 results for “compounds”
Primary in vivo screen for MAPK/ERK pathway inhibitors among 433 annotated oncology related compounds
<p>The aim was to test if a C. elegans model could identify known MEK inhibitors in a blinded screen of 433 annotated oncology related compounds. Primary hits were further validated for pathway specificity. Please see the paper cross-reference for more details.</p> <p>We bought a chemical library (SciLife lab, Stockholm, Sweden) with 433 oncology-related compounds (see table S1 for the full list), where compounds had been acoustically dispensed from 10 mM stocks into 96-well plates. DMSO concentrations were adjusted to 0.5 % in all wells, including negative controls. Trametinib was used as a positive control at 7 muM. All chemicals were kept at -20 degrees C until use. The C. elegans strain ST65 was used. We dispensed 50 muL of worm culture into each well and incubated animals for 4-5 days at 20 degrees C until DMSO control animals reached early adulthood. Animals were then sedated for 30 minutes by adding 4 muL 20 mM levamisole per well before scoring.<br><br>Primary hit selection: 1) Wells were excluded if they contained progeny or fluorescent specles from drugs or bacteria, indicated by too many objects classified as vulvae. The cutoff was set to vulvae >2x the number of adults in the positive control. 2) Wells were excluded they contained < 30 % adults compared to the positive control, indicative of severely reduced larval growth. 3) Remaining compounds with vulvae/adult scores < 0.4 were considered primary hits. Scoring of the Muv phenotype in adult lin-1(e1777) mutants was done manually from ImageXpress images. See the paper cross-reference for more details.</p>
Covalent labelling of FabF and FabB by cerulenin and a small series of synthesized compounds
<p><a href="../api/records/13739774/draft/files/FabF,%20FabB%20covalent%20labelling%20of%20selected%20compounds.txt/content" target="_blank" rel="noopener noreferrer">FabF, FabB covalent labelling of selected compounds.txt</a> contains raw data of covalent labelling of the <em>P. Aeruginosa</em> enzymes (FabF wild type (WT), "mut" = FabF C164A, FabB wild type (WT) and "mut" = FabB C161A) by cerulenin and a small set of synthesized compounds. The identity of the compounds in the .txt file can be found in <a href="../api/records/13739774/draft/files/Selected%20compounds.cdx/content" target="_blank" rel="noopener noreferrer">Selected compounds.cdx</a>.</p>
Data from: Vaginal lactobacilli produce anti-inflammatory beta-carboline (BC) compounds. RNAseq dataset of BC-treated human monocytes.
<p>Primary human monocytes were isolated from peripheral blood mononuclear cells via CD14+ magnetic selection. Monocytes were then treated with 3 beta-carboline compounds isolated from the supernatant of vaginal <em>Lactobacillus crispatus</em> strain MV-1A-US (HM-637). The beta-carbolines are labled 322/BC1; 325/BC3 and 361/BC6. We find that BC6 suppresses inflammatory signaling genes in untreated and in LPS-treated monocytes. FIles include raw reads, count table and code for DESeq2-generated differentially expressed genes. </p>
Datasets and codes for 'Heat stress effects on offspring compound across parental care'
<p>This repository contains the datasets and code associated with the manuscript, 'Heat Stress Effects on Offspring Compound Across Parental Care.' For inquiries regarding this repository, please contact the corresponding author, Syuan-Jyun Sun (<a rel="noopener">sjs243@ntu.edu.tw</a>).</p>
In-silico CID MS/MS Spectra for the Blood Exposome Compounds
<p>In-silico spectra (+ve mode, M+H) were generated for the Blood Exposome Compounds ( BloodExposome.org ) using the ICEBERG model, re-trained using MONA/GNPS/NIST2020 spectra. </p> <p>Disclaimer: These are simulated spectra so they should be used with cautions to annotate compounds in LC-HRMS datasets. </p> <p>Files are available in the NIST MSP format and the NIST Library (lib2nist conversion)</p>
GCMS chromatogram: volatile compounds
<p>Supplementary material for the article </p> <p><strong>Authenticity of wines produced from ‘Frankovka’ grape variety originating in the Modré hory region (Czech Republic)</strong></p>
LCMS chromatogram: phenolic compounds
<p>Supplementary material for the article </p> <p><strong>Authenticity of wines produced from ‘Frankovka’ grape variety originating in the Modré hory region (Czech Republic) </strong></p>
Dataset and R script - Non-linear transcriptomic responses to compounded environmental changes across temperature and resources in a pest beetle, Callosobruchus maculatus
<p>This dataset contains data and R script for analysis on life history and transcriptomic responses to single dimensional changes in resource (chickpea-27<span>°</span>C) and temperature (cowpea-35<span>°</span>C) and multi-dimensional environmental changes in resource and temperature (chickpea-35<span>°</span>C) in a pest beetle, <em>Callosobruchus maculatus</em> (control treatment = cowpea-27<span>°</span>C). Dataset contains life history data collected in laboratory conditions<em> </em>(tab 1), logFC data (RNA-sequencing; Novogene Co. Ltd.) for Spearman rank correlation tests between treatments (tabs 2-4), read count data (RNA-sequencing; Novogene Co. Ltd.) for differential expression analysis using edgeR (R1-5 = Four samples at cowpea-27<span>°</span>C; R7-12 = Four samples at cowpea-35<span>°</span>C; R13-17 = Four samples at chickpea-27<span>°</span>C; R25-28 = Four samples at chickpea-35<span>°</span>C; tab 5) and edgeR output data for plotting in R (tab 6). </p>
QC and WGS around the breakpoints of deletions in the compound heterozygous PRKN-deficient PD iPSC line FINi006-A (FI.CS.PRKNDex2/Dex5-7.@40)
<p>BAM files from WGS on the regions of deletions in both <em>PRKN</em> gene alleles of the iPSC line (clone 18) derived using Sendai virus from PRKN 09/090 patient's fibroblasts </p>
Evaluating the Impact of Triple Compound Therapy on Relapse Frequency and Quality of Life in Children with Severe Atopic Dermatitis: A Phase II Randomised Clinical Trial
<p>Datasets and analysis from A multi-centre, randomized controlled trial, on pediatric Atopic Dermatitis, conducted at Red Cross and Walter Sisulu Hospitals. The study is entitled Evaluating the Impact of Triple Compound Therapy on Relapse Frequency and Quality of Life in Children with Severe Atopic Dermatitis: A Phase II Randomised Clinical Trial.</p>
Understanding the deformation creep and role of intermetallic compound-microstructure in Sn-Ag-Cu solders
<p>The data released here is for the paper "Understanding the deformation creep and role of intermetallic compound-microstructure in Sn-Ag-Cu solders". DOI: 10.1016/j.msea.2024.147429.</p> <p>Tianhong Gu*1,2, Yilun Xu*1.3, Christopher M. Gourlay1, Fionn P.E. Dunne1 and T. Ben Britton1,4</p> <p>1Department of Materials, Imperial College London, SW7 2AZ, UK.<br>2Department of Civil Engineering and XJTLU Advanced Materials Research Center<br>(AMRC), Xi’an Jiaotong-Liverpool University, Suzhou, Jiangsu, 215123, China.<br>3 Institute of High Performance Computing (IHPC), Agency for Science, Technology and<br>Research (A*STAR), 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632,<br>Republic of Singapore.<br>4Department of Materials Engineering, University of British Columbia, Vancouver,<br>British Columbia, V6T 1Z4, Canada.<br>*Corresponding author: Tianhong.gu@xjtlu.edu.cn; Xu_yilun@ihpc.a-star.edu.sg </p> <p>The data bundle was prepared by Tianhong Gu</p>
Measurement report: Unexpected high volatile organic compounds emission from vehicles on the Tibetan Plateau Dataset
<p>This dataset includes various emission profiles and related data, specifically:</p> <ol> <li> <p><strong>Source Profile Data at Different Altitudes</strong>.</p> </li> <li> <p><strong>Emission Factor Data</strong>.</p> </li> <li> <p><strong>Emission Ratio Data</strong>.</p> </li> <li><strong>Source Profile Data from PMF Source Apportionment</strong>: Data obtained through Positive Matrix Factorization (PMF), revealing the composition of emission sources.</li> <li> <p><strong>Average Profiles of Gasoline Vapors</strong>: Derived from sealed housing evaporative determination (SHED) tests, with references 1-7.</p> </li> <li> <p><strong>Average Profiles of Gasoline Vehicle Exhaust</strong>: Based on dynamometer tests, with references 2, 8-13.</p> </li> <li> <p><strong>Average Profiles of Vehicular Emissions</strong>: Collected from low-altitude tunnel measurements, reflecting emissions in real-world driving scenarios, with references 14-24.</p> </li> </ol>
Trajectories of Microsecond Molecular Dynamics Simulations of the Orexin Receptor 2 System with Compound 1
<p>This data set contains psf files and trajectories (.dcd files) of the performed simulations for the orexin receptor 2 system:</p> <p>1) the orexin type 2 receptor (OX2R) in complex with compound 1, three replicas, 2 microseconds.</p>
Raw data for the article "Cu(I)-Catalyzed gem-Aminoalkynylation of Diazo Compounds: Synthesis of Fluorinated Propargylic Amines"
<p>Raw NMR, MS and IR data for the article "Cu(I)-Catalyzed gem-Aminoalkynylation of Diazo Compounds: Synthesis of Fluorinated Propargylic Amines" published in the Journal of Organic Chemistry, DOI: </p> <p> <a href="https://doi.org/10.1021/acs.joc.1c01423">https://doi.org/10.1021/acs.joc.1c01423</a> </p> <p>The number of the folders correspond to compounds numbers in the article. All details concerning conditions and equipment for measurements can be found in the supporting information of the article.</p>
Multiply improved positive matrix factorization for source apportionment of volatile organic compounds during the COVID-19 shutdown in Tianjin, China
<p>This dataset contains the input and output data of the multiple PMF for volatile organic compounds (VOCs) source apportionment in the suburbs of Tianjin, China, during the outbreak of COVID-19 period (November 2019 to March 2020).</p>
Neural data for North Sami compound correction
<p>Data for the paper:</p> <p>Wiechetek, L, Pirinen, F., Hämäläinen, M. & Argese, C. (2021) <a href="https://www.researchgate.net/publication/354254222_Rules_Ruling_Neural_Networks_-_Neural_vs_Rule-Based_Grammar_Checking_for_a_Low_Resource_Language">Rules ruling neural networks – Neural vs. rule-based grammar checking for a low resource language</a>. In <em>Proceedings of the International Conference on Recent Advances in Natural Language Processing (RANLP 2021).</em></p> <p> </p> <p><em>Data.zip</em> includes the data (test, train, validation) in a JSON format and <em>code.zip</em> has the source code.</p>
FIGURE 1 in Is 7-Hydroxyphthalide A Natural Compound Of Oil Gland Secretions? - Evidence From Archegozetes Longisetosus (Acari, Oribatida)
FIGURE 1: Gas chromatographic pattern of components, 24 hours after extraction, stored at -20°C. This pattern is identical to chromatograms taken directly after extraction. The amount of the internal standard (6-methyl-5-heptene-2-one) corresponds to 5ng. Peaks: a: 2,6-HMBD; b: neral; c: geranial; d: neryl formate; e: γ-acaridial; f: tridecane; h: tetradecane (this in an artifact of unknown origin); i: pentadecene; j: pentadecane; k: heptadecadiene; l: heptadecene; m: heptadecane. The * peaks arise from contaminations of the capillary column.
FIGURE 4 in Is 7-Hydroxyphthalide A Natural Compound Of Oil Gland Secretions? - Evidence From Archegozetes Longisetosus (Acari, Oribatida)
FIGURE 4: Comparison of amounts of γ-acaridial and 7-hydroxyphthalide during the 24 hour time course at 23°C. When both are com-
FIGURE 3 in Is 7-Hydroxyphthalide A Natural Compound Of Oil Gland Secretions? - Evidence From Archegozetes Longisetosus (Acari, Oribatida)
FIGURE 3: Mass spectra of γ-acaridial (above) and 7-hydroxyphthalide (below), both with M+ at m/z 150. Note differences at peaks m/z 76/77, m/z 104/105, and relative differences at m/z 122.
FIGURE 2 in Is 7-Hydroxyphthalide A Natural Compound Of Oil Gland Secretions? - Evidence From Archegozetes Longisetosus (Acari, Oribatida)
FIGURE 2: Gas chromatographic patterns measured from a raw extract stored at 23°C, 1 hour, 4 hours and 24 hours after extraction. Peak
ScienceDex guides
Understand access before you commit
These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.