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1,923 results for “compounds”
Original data for publications: Study of the Temperature- and Pressure-Dependent Structural Properties of Alkali Hydrido-closo-borate Compounds, and: Pressure-induced phase transitions in Na2B12H12, structural investigation on a candidate for solidstate electrolyte
<p>Original data for publications (part of University of Geneva only):</p> <p>Study of the Temperature- and Pressure-Dependent Structural<br> Properties of Alkali Hydrido-closo-borate Compounds<br> Inorg. Chemistry 2022 61, 5224-5233, <br> https://doi.org/10.1021/acs.inorgchem.1c03681</p> <p>Pressure-induced phase transitions in Na2B12H12,<br> structural investigation on a candidate for solidstate electrolyte<br> Acta Cryst. B 2019 B75 406-413<br> https://doi.org/10.1107/S2052520619004670</p> <p> </p>
Original data for publications: Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate, and: Fe4(OAc)10[EMIM]2: Novel Iron-Based Acetate EMIM Ionic Compound
<p>Origianl data for publications (Part of University of Geneva only):</p> <p>Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate<br> Przemyslaw Dera, Edward Bruffey III, Gregory J. Finkelstein, Colleen Kelly, Angelina Gigante, Hans Hagemann, and Godwin Severa<br> ACS Omega 2020, 5, 25, 15592-15600</p> <p>Fe4(OAc)10[EMIM]2: Novel Iron-Based Acetate EMIM Ionic Compound<br> Godwin Severa, Edward Bruffey, Phuong Q. H. Nguyen, Angelina Gigante, Noemi Leick, Colleen Kelly, Gregory J. Finkelstein, Hans Hagemann, Thomas Gennett, Richard E. Rocheleau, and Przemyslaw Dera,<br> ACS Omega 2021, 6, 31907-31918.</p> <p> </p> <p> </p>
Reduction of chickens use to perform in vitro pre-screening of novel anticoccidials by miniaturisation and increased throughput of the current Eimeria tenella compound-screening model
<p>In vitro models have supported important advances in biomedical sciences and have significantly contributed to reduce the use of experimental animals in different disciplines. We have developed an in vitro model for the evaluation of potential anticoccidial properties of novel compounds aimed to control chicken coccidiosis, a costly disease for the poultry industry. This disease is caused by protozoan parasites of the genus <em>Eimeria</em> (Apicomplexa), and it is mainly controlled by chemoprophylaxis with ionophors and chemical anticoccidials; however, there is an overall agreement about the limitation of these classical drugs and the need to improve current methods of control. Anticoccidial activities of novel compounds is currently evaluated by expensive experiments that involve large numbers of chickens. The use of our in vitro model for the pre-screening of essential oils led to a reduction of 67% of the chickens used in the vivo trials for validation. In this study, we describe how further optimisation of this in vitro model by miniaturisation can have an additional impact on the number of chickens used for the generation of parasite stocks for provision of the in vitro model (which cannot be done in vitro). We have estimated that the use of one chicken could support the evaluation of ten compounds with a 96-well plate format vs. only two with a 24-well plate format, which means an 80% of chicken use reduction. In this study, we have proved that the miniaturisation into a 96-well plate format has perfectly mimicked the invasion and replication observed before in the 24-well plate format. In addition, this format has allowed the simultaneous pre-screening of higher numbers of anticoccidial drugs at different concentrations following streamlined protocols in a more cost-effective way, factors that are beneficial for a wider uptake of the model by other researchers investigating anticoccidial compounds. </p>
A dual selection system for directed evolution to identify allosteric transcription factor PobR variants responsive to different aromatic compounds
<p>This dataset includes all the raw data of our characterization experiments during the work titled “A dual selection system for directed evolution to identify allosteric transcription factor PobR variants responsive to different aromatic compounds”.</p>
Raw experimental data for hydrated arsenic(III)-oxide intercalation compound with ammonium chloride including raw diffraction data for CSD 2202825
<p>pg171_WW4_NH4ClAs2O3H2O.7z: raw diffraction data for CSD 2202825</p> <p>PXRD.7z: raw powder X-ray diffraction pattern for a sample containing intercalate <strong>Y<sub>NH<sub>4</sub>Cl</sub></strong> and its dehydrated counterpart</p> <p>WW9_TG-MS_DSC.7z: raw TG-MS and DSC data for intercalate <strong>Y<sub>NH<sub>4</sub>Cl</sub></strong></p> <p>15NssNMR.7z: raw ssNMR data for intercalates <strong>Y<sub>NH<sub>4</sub>Cl</sub></strong>, <strong>P<sub>NH<sub>4</sub>Br</sub></strong> and P<strong><sub>NH<sub>4</sub>I</sub></strong></p> <p> </p>
Insect Odorant Binding Protein Dataset of Binding Affinities against Volatile Organic Compounds
<p>This is an archival version of the initial iOBPdb dataset of insect odorant binding protein binding affinities against volatile organic compounds. It contains 215 functional studies containing 381 unique OBPs from 91 insect species.</p>
The kinetics of arsenolite inclusion compounds formation with hydrogen and helium - FTIR data
<p>Raw FT-IR spectra of arsenolite and its inclusion compound with hydrogen. The spectra were collected at the Synchrotron SOLEIL during beamtime under proposal no. 20210258</p>
Compounds with multi-target activity from X-ray structures, corresponding analog series, and associated scaffolds
<p>A total of 702 crystallographic ligands with activity against multiple targets from different protein families (multi-family ligands) were extracted from the Protein Data Bank (PDB). These ligands are made available as aromatic non-stereo SMILES strings together with their target information. A subset of these ligands were also found in the ChEMBL database yielding additional target annotations. Target and family assignments were made following the UniProt classification scheme. In addition, 133 analog-series-based (ASB) scaffolds were derived from series of PDB ligands and structural analogs identified in ChEMBL, which are also made available. For each ASB scaffold, the number of analogs, targets, and target families is provided (union of PDB and ChEMBL annotations).</p>
Fig. 1 Screening flow, testing 1600 FDA compounds against S in Assessment of FDA-approved drugs against StrongyloideS rAtti in vitro and in vivo to identify potentially active drugs against strongyloidiasis
Fig. 1 Screening flow, testing 1600 FDA compounds against S. ratti
Data on the Blackthorn fruit peel: phenolic compounds and antimicrobial synergy with blue light against Listeria monocytogenes
<p>The dataset contains results obtained during a project funded by the National Science Centre, Poland [Grant number 2022/45/B/NZ9/00299 (OPUS-23)].</p>
Data and code for theoretical analyses for the evolution of biogenic volatile organic compounds (BVOCs) emission strategy
<p>These are Python code for analysis and JSON data obtained by simulation with the lattice model.</p> <p>To visualize figures better, we have slightly modified the content of "LatticeModelVisualization.ipynb".</p>
Quantification of volatile organic compound emissions from unconventional oil and gas development
<p>Oil and gas (O&G) development in the U.S. has accelerated in the past two decades, aided by unconventional extraction techniques including hydraulic fracturing and horizontal drilling. Potential environmental and health impacts of volatile organic compounds (VOCs) originating from O&G activities in populated regions have raised concerns. In Broomfield, Colorado, six new O&G well pads were approved for development in 2017 and an air monitoring program was established in October 2018 to collect weekly and plume-triggered air samples. This study addresses the limited existing knowledge of activity-specific VOC emission rates from unconventional O&G development (UOGD), utilizing these observations and dispersion model simulations through emission inversion methods. Emissions are characterized from well drilling, hydraulic fracturing, coiled tubing/millout, flowback, and production operations.</p> <p>Substantial variations in average VOC emission rates, determined using weekly canister observations, are observed across different UOGD phases. Drilling and coiled tubing/millout operations exhibit the highest VOC emission rates, attributed to hydrocarbon release from shale formations and drilling mud. In contrast, hydraulic fracturing gives lower emission rates, consistent with injection of fluids into the well, minimizing the probability of subsurface hydrocarbon emissions. Diesel-powered engines are identified as the primary ethyne sources during hydraulic fracturing. Production was characterized by lower VOC emission rates than pre-production phases but remains an important emission category due to its long duration (decades). Internal variations of emission rates within each phase highlight the complexity of factors and activities influencing emission rates, including, for example, vertical vs. horizontal drilling and periodic maintenance activities. VOC emission rates associated with drilling mud volatilization and hydraulic fracturing suggest that previously published emission estimates (EPA (2022), and Hecobian et al. (2019)) underestimate VOC emission rates during these activities. Significantly lower emission rates during flowback compared to previous work (Hecobian et al., 2019) reveal how improved management practices, including tankless, closed-loop fluid handling systems have effectively reduced what used to be a dominant source of pre-production VOC emissions. Plume-triggered samples, capturing transient high-concentration plumes, reveal short-term VOC emission rates approximately ten times higher for drilling and flowback than determined from weekly samples. In the case of flowback, short-term emission pulses have been linked to periodic emptying of sand canisters used to trap fracking sand emerging from previously fracked wells.</p>
The metabolomics raw data and a supporting statistical analyses data set for publication: Metabolomic analysis revealed the absence of the principal antimicrobial compound of Pseudomonas donghuensis P482, 7-hydroxytropolone, under restricted nutrient conditions.
<p><a href="../api/records/11220997/draft/files/Metabolomic%20analyses%20raw%20files.zip/content" target="_blank" rel="noopener noreferrer">Metabolomic analyses raw files</a>, Compounds analyses, Hierarchical Condition tress and PCA Scores are uploaded.</p>
IR data of the compounds published in "Bioinspired Nucleophilic Attack on a Tungsten-Bound Acetylene: Formation of Cationic Carbyne and Alkenyl Complexes"
Open the record for dataset details and reuse information.
volatile organic compounds that were measred at the Dead Sea - Israel (both terrestrial and coastal; Anthropogenic and biogenic)
<p>Multiple VOCs (biogenic and anthropogenic) were sampled by our research group at various terrestrial and coastal sites around the Dead Sea (Israel). Analysis was conducted by Prof. Donald Blake, and the data were included in a publication available at <a href="https://acp.copernicus.org/articles/19/7667/2019/" target="_new" rel="noreferrer">https://acp.copernicus.org/articles/19/7667/2019/</a>.</p>
Figure 1 in Quality of cosmetics with active caffeine in cream and gel galenic bases prepared by compounding pharmacies
Figure 1. pH analysis for cosmetics in cream and gel base.
Figure 2 in Quality of cosmetics with active caffeine in cream and gel galenic bases prepared by compounding pharmacies
Figure 2. Color analysis for cosmetics in cream and gel base.
Figure 5 in Quality of cosmetics with active caffeine in cream and gel galenic bases prepared by compounding pharmacies
Figure 5. Wavelength analysis for cosmetics in cream and gel base.
Figure 3 in Cytotoxicity of extracts and compounds isolated from Croton echioides in animal tumor cell (HTC)
Figure 3. Clerodan diterpenes tested.
Figure 2 in Phenolic compound and fatty acid properties of some microalgae species isolated from Erbil City
Figure 2. Total phenolic content (mg/g) extracted from algal isolates.
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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.