Find research datasets worth reusing
Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.
1,923
datasets available to search
ShareScore release 0.9.0
Dataset results
1,923 results for “compounds”
Generation of new compounds through unbalanced transcription of landomycin A cluster
GEO Series GSE83137. Streptomyces albus. 2 samples. Type: Expression profiling by high throughput sequencing.
Dioxin-like compound exposures and DNA methylation in the Anniston Community Health Survey Phase II
GEO Series GSE149412. Homo sapiens. 292 samples. Type: Methylation profiling by genome tiling array.
Compound mouse mutants of bZIP transcription factors MafG and MafK reveal a regulatory network of non-crystallin genes linled to cataract
GEO Series GSE65500. Mus musculus. 4 samples. Type: Expression profiling by array.
Realization of the kagome spin ice state in a frustrated intermetallic compound
<p><strong>Dataset for the paper ''Realization of the kagome spin ice state in a frustrated intermetallic compound''</strong></p>
Eccentricity affecting the collision modes of two single-core compound droplets
<p>The collision modes of two eccentric compound droplets in the simple shear flow</p>
Investigating Chemotherapeutic Applications of Cannabinoid Compounds in Prostate Cancer.
<p>This folder holds data regarding the research project "Investigating Chemotherapeutic Applications of Cannabinoid Compounds in Prostate Cancer" carried out by Amy Kinsella and supervised by Dr. Antoinette Perry.</p> <p>These files containing the results of effect of the cannabinoid GL4a on cell viability and apoptosis in the prostate cancer cell lines PC3 and DU145. These results were obtained via MTT assay and flow cytometry.</p> <p>The files containing the flow graphs do not have the labels altered and subsequently the labeling of the apoptosis graphs is incorrect. Apoptosis graphs with corrected labeling can be seen the the flow results.</p>
The spectra data of compound ocotillone
<p>The spectra data of compound ocotillone</p>
Molecular Docking and Virtual Screening of 716 Candidate Natural Bioactive Compounds Against Spike Receptor-Binding Domain of Coronavirus reveals Octahydroeuclein as possible inhibitor
<p>the data of study shows a possible drug candidate for COVID-19</p>
Nitrogen and oxygen isotope signatures of nitrogen compounds during anammox in the lab and in a wastewater treatment plant
<p>Raw data and Berkeley Madonna code files for the curve fitting and denitrification-anammox models. This is from, </p> <p> </p> <p>Syotoku Kotajima, Keisuke Koba*, Daisuke Ikeda, Akihiko Terada, Kazuichi Isaka, Kazuya Nishina, Yuuya Kimura, Akiko Makabe, Midori Yano, Hirotsugu Fujitani, Norisuke Ushiki, Satoshi Tsuneda, and Muneoki Yoh</p> <p> </p> <p>Nitrogen and Oxygen Isotope Signatures of Nitrogen Compounds during Anammox in the Laboratory and a Wastewater Treatment Plant</p> <p> </p> <p>Microbes Environ. 35(4), 2020</p> <p> </p> <p>https://www.jstage.jst.go.jp/article/jsme2/35/4/35_ME20031/_article/-char/en</p> <p> </p>
Source characterization of volatile organic compounds measured by PTR-ToF-MS in Delhi, India
<p>Ambient measurement campaign took place at two sites during winter 2018 in Delhi, India. The sources of volatile organic compounds were disclosed measured by proton-transfer-reaction time-of-flight mass spectrometers (PTR-ToF-MS). The application of the novel positive matrix factorization receptor model enables the identification of strong anthropogenic sources at night and atmospheric oxidations in the daytime. Besides, a detailed comparison of VOC source composition and chemical transformation processes was provided in the urban and suburban areas.</p> <p> </p>
Data from: Individual- versus group-optimality in the production of secreted bacterial compounds
How unicellular organisms optimize the production of compounds is a fundamental biological question. While it is typically thought that production is optimized at the individual-cell level, secreted compounds could also allow for optimization at the group level, leading to a division of labor where a subset of cells produces and shares the compound with everyone. Using mathematical modelling, we show that the evolution of such division of labor depends on the cost function of compound production. Specifically, for any trait with saturating benefits, linear costs promote the evolution of uniform production levels across cells. Conversely, production costs that diminish with higher output levels favor the evolution of specialization – especially when compound shareability is high. When experimentally testing these predictions with pyoverdine, a secreted iron-scavenging compound produced by Pseudomonas aeruginosa, we found linear costs and, consistent with our model, detected uniform pyoverdine production levels across cells. We conclude that for shared compounds with saturating benefits, the evolution of division of labor is facilitated by a diminishing cost function. More generally, we note that shifts in the level of selection from individuals to groups do not solely require cooperation, but critically depend on mechanistic factors, including the distribution of compound synthesis costs.
A Deep Learning-Based Approach for Identifying the Medicinal Uses of Plant-derived Natural Compounds
<p>The latent knowledge, molecular interaction, and chemical property features of the drugs and natural compounds</p>
Figure 2 from: Sarray DKA, Horiacha LM, Zhuravel IO, Fedosov AI (2020) HPLC study of phenolic compounds in Mirabilis jalapa raw material. Pharmacia 67(3): 145-152. https://doi.org/10.3897/pharmacia.67.e52585
Figure 2 The HPLC chromatogram of phenolic compounds in Mirabilis jalapa roots.
Figure 1 from: Sarray DKA, Horiacha LM, Zhuravel IO, Fedosov AI (2020) HPLC study of phenolic compounds in Mirabilis jalapa raw material. Pharmacia 67(3): 145-152. https://doi.org/10.3897/pharmacia.67.e52585
Figure 1 The HPLC chromatogram of phenolic compounds in Mirabilis jalapa flowers.
Figure 4 from: Sarray DKA, Horiacha LM, Zhuravel IO, Fedosov AI (2020) HPLC study of phenolic compounds in Mirabilis jalapa raw material. Pharmacia 67(3): 145-152. https://doi.org/10.3897/pharmacia.67.e52585
Figure 4 The HPLC chromatogram of phenolic compounds in Mirabilis jalapa herb.
Figure 3 from: Sarray DKA, Horiacha LM, Zhuravel IO, Fedosov AI (2020) HPLC study of phenolic compounds in Mirabilis jalapa raw material. Pharmacia 67(3): 145-152. https://doi.org/10.3897/pharmacia.67.e52585
Figure 3 The HPLC chromatogram of phenolic compounds in Mirabilis jalapa fruits.
ATOMIC Simulations and Experimental Data for Basalt-like Compounds
<p>This data consists of simulations and experimental measurements of laser-induced breakdown spec- troscopy (LIBS). The simulations are produced by ATOMIC, a general purpose plasma modeling and kinetics code that has been designed to compute emission (or absorption) spectra from plasmas [2]. The makeup of the plasma was considered to be divided into some proportion water, some proportion Martian atmosphere (CO2), and some proportion target (from the rock or object impacted by the laser), where these proportions add to 1. Based on expert knowledge, the proportion of water was kept in the range [0.0,0.5] and the proportion of atmosphere was kept in the range [0.02, 0.9]. Our overall suite of simulations contains six sets of simulations that differ in which elements were considered to make up the target. Within each set, we used uniformly drawn temperatures and log mass densities within pre-specified ranges. The temperature range was [0.5,1.5] eV and the log (base 10) mass density range was [−7,−4]. The proportion of water, atmosphere, and target were drawn from a symmetric Dirichlet distribution, but draws in which the propor- tion of water or atmosphere exceeded the pre-specified limits were rejected from the design. Up to eleven constituent elements (Si, Al, Fe, Mg, Ca, O, Ti, Mn, Na, K, P) were considered for the target, as they are the most common elements found in basalt compounds and were used in [1]. For each run, the proportions of the constituent elements making up the target were drawn from a symmetric Dirichlet distribution. We ran 1,350 simulations that included nonzero proportions of all eleven elements. We also ran simulations which excluded some of these elements. In particular, we ran 1,000 simulations that only included nonzero proportions for the six most common elements (Si, Al, Fe, Mg, Ca, O). We also ran five sets, each with 500 simulations, that only included nonzero proportions for five of the six most common elements (but where all sets included O). Thus, we generated a total of 4,850 spectra representing basalt-like compounds in which the target was comprised of oxygen and between four and ten other elements. The ATOMIC code produced spectra over a range of 240nm - 880nm that roughly mimics the range collected by the ChemCam instrument on the Mars rover Curiosity. Each spectra had 32,000 wavelengths split across three spectrometer ranges (to mimic ChemCam). The experimental data, described in [1], measures a prepared basalt sample. All files are kept in directories whose names indicate the set of elements considered for the target with file names numbered to indicate the line in the design files used to produce the simulation. The designs are provided as text files with names indicating their purpose. The experimental data is provided as a CSV file which contains a header with measurement information, followed by a collection of 50 shots across a collection of wavelengths, along with the computed median and mean across shots.</p>
Modeling ultrasound extraction of phenolic compounds from grape pomace
<p>The provided data include measurements of antioxidant activity, total phenolic content, concentrations of individual phenols and individual anthocyanins of grape pomace extracts for initial (DoE1) and final (DoE2) ultrasound method optimization.</p>
Simulation data in "Haloalkenyl Imidoyl Halides as Multifacial Substrates Breaking Limits in the Stereoselective Synthesis of N-Alkenyl Compounds"
<p>Collection of the Gaussian log files of the optimization and the resulting optimized structures obtained in the work: "Haloalkenyl Imidoyl Halides as Multifacial Substrates Breaking Limits in the Stereoselective Synthesis of N-Alkenyl Compounds".</p>
Data from: Teratological and behavioral screening of the National Toxicology Program 91-compound library in zebrafish (Danio rerio)
To screen the tens of thousands of chemicals for which no toxicity data currently exists, it is necessary to move from in vivo rodent models to alternative models, such as zebrafish. Here, we used dechorionated Tropical 5D wildtype zebrafish embryos to screen a 91-compound library provided by the National Toxicology Program (NTP) for developmental toxicity. This library contained 86 unique chemicals that included negative controls, flame retardants, polycyclic aromatic hydrocarbons (PAHs), drugs, industrial chemicals and pesticides. Fish were exposed to five concentrations of each chemical or an equal amount of vehicle (0.5% DMSO) in embryo medium from 6 h post-fertilization (hpf) to 5 d post-fertilization (dpf). Fish were examined daily for mortality and teratogenic effects and photomotor behavior was assessed at 4 and 5 dpf. Of the five negative control compounds in the library, none caused mortality/teratogenesis, but two altered behavior. Chemicals provided in duplicate produced similar outcomes. Overall, 13 compounds caused mortality/teratology but not behavioral abnormalities, 24 only affected behavior, and 18 altered both endpoints, with behavior affected at concentrations that did not cause mortality/teratology (55/86 hits). Of the compounds that affected behavior, 52% caused behavioral abnormalities at either 4 or 5 dpf. Compounds within the same functional group caused different behavioral abnormalities, while similar behavioral patterns were caused by compounds from different groups. Our data suggest that behavior is a sensitive endpoint for developmental toxicity screening that integrates multiple modes of toxic action and is influenced by the age of the larval fish at the time of testing.
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.