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800 results for “mixtures”
NMR AS A TOOL FOR COMPOUND IDENTIFICATION IN MIXTURES
<p>Data set used for the paper NMR AS A TOOL FOR COMPOUND IDENTIFICATION IN MIXTURES.</p>
10k 1:1 Mixture of Jurkat and MM1S Cells, 5' v2.0, CRISPR Screening, Chromium X - BESCA
<p>This dataset is a BESCA processed version of the example resources found at https://www.10xgenomics.com/resources/datasets/10k-1-1-mixture-of-jurkat-and-mm1s-cells-5-v2-0-chromium-x-2-standard</p>
Solid-state NMR spectra of the complex of PD-L1 with the anti-PD-L1 fusion protein and of the mixture of PD-L1 with a non-binding mAb
<p>Solid-state NMR spectra used in the analysis of the interaction between PD-L1 and anti-PDL1 fusion protein.</p> <p>Reference paper: <strong>Epitope mapping and binding assessment by solid-state NMR provide a way for development of biologics under the Quality by Design paradigm</strong></p>
DeLiAn – a growing collection of depolarization ratio, lidar ratio and Ångström exponent for different aerosol types and mixtures from ground-based lidar observations
<p>DeLiAn is a collection of lidar-derived aerosol intensive optical properties for several aerosol types. The intensive parameters are the particle linear depolarization ratio, the extinction-to-backscatter ratio (lidar ratio) and the Ångström exponent. The data collection is based on globally distributed, long-term, ground-based, multiwavelength, Raman and polarisation lidar measurements.</p> <p>DeLiAn is available in two data formats: NetCDF and excel workbook. The intensive optical properties are presented at the typical lidar wavelengths, 355, 532 and 1064 nm, for 13 aerosol categories in total. The variables included in the datafiles are listed below. For each variable, a full description is provided in the long_name attribute (applicable for the netCDF file only). The same information is provided in the first excel sheet (“List of variables”).</p> <ul> <li> ScienceData <ul> <li>angstrom_exponent_backscatter_355_532</li> <li>angstrom_exponent_backscatter_532_1064</li> <li>angstrom_exponent_extinction_355_532</li> <li>campaign_rv</li> <li>date</li> <li>error_angstrom_exponent_backscatter_355_532</li> <li>error_angstrom_exponent_backscatter_532_1064</li> <li>error_angstrom_exponent_extinction_355_532</li> <li>error_lidar_ratio_355</li> <li>error_lidar_ratio_532</li> <li>error_particle_linear_depolarization_ratio_355</li> <li>error_particle_linear_depolarization_ratio_532</li> <li>lidar_ratio_355</li> <li>lidar_ratio_532</li> <li>location</li> <li>measurement_type</li> <li>number_samples</li> <li>particle_linear_depolarization_ratio_355</li> <li>particle_linear_depolarization_ratio_532</li> <li>reference</li> <li>system</li> </ul> </li> </ul> <p>For any further information or expression of interest with respect to DeLiAn, please contact Athena Augusta Floutsi (<a href="mailto:floutsi@tropos.de">floutsi@tropos.de</a>) and/or Holger Baars (baars@tropos.de).</p>
Results of optimal biocomposite mixture as best sound and thermal insulator
<p>Biobased composites are increasingly used. One of the most frequently used material is hemp shives, which is agricultural waste. However, as the quantities of this material are lacking, there is a tendency towards finding new and more available materials. Corncob and sawdust are bio by-products that have great potential as insulation materials. In order to use these aggregates, it is necessary to examine their characteristics. New composite materials based on sawdust, corncobs, polystyrene granules and the mixture of lime and plaster as the binder, were tested within this research. This paper presents the properties of these composites obtained by determining the porosity of samples, volume mass, water absorption, airflow resistance and heat flux, which was followed by calculation of the thermal conductivity coefficient. Three mixtures of the new composite material, whose samples were 1cm-5cm thick for each type of mixture, were investigated. The aim of this research was to analyze the results of different mixtures and sample thickness in order to determine the optimum composite material of the proper thickness so that the best possible thermal and sound insulation could be obtained. New composite materials can be used as an alternative to conventional materials.</p>
A New Generation of Dense-Graded Asphalt Mixtures with Superior Performance against Stripping and Moisture Damage
<p>The presence of moisture beneath the pavement surface is a matter of great concerns as it is responsible for significant distresses such as asphalt concrete (AC) stripping, fatigue cracking, rutting, and poor durability of asphalt mixes. The objective of this study was to evaluate and recommend an asphalt mixture design that would provide superior performance against AC stripping and cracking. To achieve this objective, a laboratory test factorial was developed to evaluate the use of nanomaterials, emerging anti-stripping agents, warm-mix asphalt technologies, and adhesion promotors. In the experimental program, the modified Lottman test (AASHTO T 283) and the Indirect Tensile Asphalt Cracking Test (IDEAL-CT) test were used as performance indicators of moisture damage resistance and cracking susceptibility. Results were analyzed statistically to identify and quantify the effects of the design variables and selected additives on the performance, moisture damage resistance, and durability of asphalt mixes. Based on the cracking test results, a superior cracking resistance performance was observed with Zycotherm<sup>®</sup>, irrespective of the mix type. AD-here<sup>®</sup> had the lowest average cracking indices for both mix types, which suggests that it would not function as good as the other additives in terms of cracking resistance. Overall, Stone Matrix Asphalt (SMA) mixes showed greater cracking resistance than the dense-graded mixture, which may have been a result of the RAP material used in the dense-graded mix and its lower asphalt binder content. In terms of moisture resistance, both nanomaterials (Graphene Nanoplatelet [GNP] and Nanoclay) did not perform well as they did not meet the minimum required tensile strength ratio (TSR) criterion. Overall, nanomaterials showed the lowest TSR values in both mix types suggesting that their effectiveness against moisture-induced damage may not be as good as warm-mix additives. In addition, warm-mix additives were expected to show enhanced performance in terms of moisture resistance as compared to the other additives evaluated in this study.</p>
MultiplexMS: A mass spectrometry-based multiplexing strategy for ultra-high-throughput analysis of complex mixtures
<p>Abstract: Throughput for chemical analysis of natural products mixtures has not kept pace with recent developments in genome sequencing technologies and laboratory automation for high-throughput screening, leading to a disconnect between chemical and biological profiling at the library scale that limits new molecule discovery. Here we report a new strategy for sample multiplexing that can increase mass spectrometry-based profiling up to 30-fold over traditional methods. This strategy involves the analysis of pooled samples and subsequent computational deconvolution to reconstruct peak lists for each sample in the set. We validated this approach using <em>in silico</em> experiments and demonstrated that the method has a high precision (>97%) for large, pooled samples (n = 30), particularly for infrequently occurring metabolites (n < 10) of relevance in drug discovery applications. Finally, we repeated a recently reported biological activity profiling study on 925 natural products extracts, leading to the rediscovery of all previously reported bioactive metabolites using just 5% of the previously required MS acquisition time. This new method is compatible with mass spectrometry data from any instrument vendor and is supported by an open-source software package available at <a href="https://github.com/liningtonlab/MultiplexMS">https://github.com/liningtonlab/MultiplexMS</a>.Throughput for chemical analysis of natural products mixtures has not kept pace with recent developments in genome sequencing technologies and laboratory automation for high-throughput screening, leading to a disconnect between chemical and biological profiling at the library scale that limits new molecule discovery. Here we report a new strategy for sample multiplexing that can increase mass spectrometry-based profiling up to 30-fold over traditional methods. This strategy involves the analysis of pooled samples and subsequent computational deconvolution to reconstruct peak lists for each sample in the set. We validated this approach using <em>in silico</em> experiments and demonstrated that the method has a high precision (>97%) for large, pooled samples (n = 30), particularly for infrequently occurring metabolites (n < 10) of relevance in drug discovery applications. Finally, we repeated a recently reported biological activity profiling study on 925 natural products extracts, leading to the rediscovery of all previously reported bioactive metabolites using just 5% of the previously required MS acquisition time. This new method is compatible with mass spectrometry data from any instrument vendor and is supported by an open-source software package available at <a href="https://github.com/liningtonlab/MultiplexMS">https://github.com/liningtonlab/MultiplexMS</a>.</p>
data on Marshall properties for asphalt mixtures containing recycled concrete aggregate
<p>these data set about Marshall stability and flow and density void analysis for asphalt mixture surface layer incorporating recycled as coarse aggregate. the data are collected during the work at the transportation lab at Baghdad University and the asphalt lab in Iben-Rushud government company.</p>
Data from: African elephant dietary responses to odors of monoterpene mixtures and individual monoterpenes
<p>The detoxification limitation hypothesis posits that, unless plant defense compounds interact synergistically or additively to increase their harmful effects, generalist herbivores will prefer consuming combinations of these compounds over singular compounds. Monoterpenes are odoriferous defense compounds that may be toxic to mammalian herbivores when ingested in sufficient quantities. Previous research has shown that the addition of individual monoterpenes to food sources reduces consumption by generalist mammalian herbivores. By using African elephants as a case study, we aimed to determine whether odors from monoterpene combinations (i.e., two or more monoterpenes) also deter generalist mammalian herbivory, and whether generalist herbivores prefer the odors of monoterpene combinations over individual monoterpenes. First, we tested whether the odor of monoterpene combinations that resemble the monoterpene profiles of a high-acceptability, intermediate-acceptability, and low-acceptability plant deter herbivory. We found that elephants preferred plants without the added odors of the monoterpene combinations. Second, we explored how elephants responded to individual monoterpenes found within the combinations compared to the combinations at the same set concentration, and found that the elephants did not always prefer the combinations over the individual monoterpenes. Moreover, the more diverse the combination, the less frequently it was preferred when compared to the individual monoterpene odors. Our results imply that generalist herbivores do not necessarily prefer combinations of plant chemical defenses at comparatively lower concentrations and that, consequently, the composition and diversity of monoterpene profiles in plants likely determine the efficacy of these compounds as an olfactory defense against mammalian herbivory.</p>
DSC for pemetrexed, PEG, GABA, physical mixture of pemetrexed with PEG, physical mixture of pemetrexed with GABA, pemetrexed-PEG conjugate, and pemetrexed-GABA conjugate
<p>This data represent the figures of DSC for pemetrexed, PEG, GABA, physical mixture of pemetrexed with PEG, physical mixture of pemetrexed with GABA, pemetrexed-PEG conjugate, and pemetrexed-GABA conjugate</p>
The effects of N-addition on litter mixture effects depend on decomposition time: a case from mixed-litter decomposition in the Gurbantunggut Desert
<p>Changes in nitrogen (N) deposition and litter mixtures have been shown to influence ecosystem processes such as litter decomposition. However, the interactive effects of litter mixing and N-deposition on decomposition process in desert regions remain poorly identified. We assessed the simultaneous effects of both N addition and litter mixture on mass loss in a litterbag decomposition experiment using six native plants in single-species samples with diverse quality and 14 species-combinations in the Gurbantunggut Desert under two N addition treatments (control and N addition). The N addition had no significant effect on decomposition rate of single-species litter (except <em>Haloxylon ammodendron</em>), whereas litter mass loss and decomposition rate differed significantly among species, with variations positively correlated with initial phosphorus concentration and negatively correlated with initial lignin concentration. After 18 months, the average mass loss across litter mixtures did not overall differ from those predicted from single-species either in control or N addition treatments, that is, mixing of different species had no non-additive effects on decomposition. The N addition, however, did modify the direction of mixture effects, and interacted with incubation time. Added N transformed synergistic effects of litter mixtures to antagonistic effects on mass loss after 1 month of decomposition, while transforming neutral effects of litter mixture to synergistic effects after 6 months of decomposition. Our results demonstrated that initial chemical properties played an important role in litter decomposition, while no effects of litter mixture on decomposition process in this desert region. The N addition altered the litter mixture effects on mass loss with incubation time, implying that increased N deposition in the future may have profound effects on carbon turnover to a greater extent than previously thought in desert ecosystems.</p>
Dataset to publication: ''Magnetstein: An open source tool for quantitative NMR mixture analysis robust to low resolution, distorted lineshapes and peak shifts''
<p>MANIQ (plugin for Mnova 14.3.1 software (Mestrelab Research, S. L., Spain)) and ACD/TP (Targeted Profiling tool for ACD/Spectrus 2020.1.1 (Advanced Chemistry Development, Inc., ACD/Labs Ontario, Toronto, ON, Canada)) project files and raw experimental NMR data to:</p> <table> <caption>Experiments obtained to Magnetstein with optimized parameters, Magnetstein with default parameters, ACD/TP and MANIQ.</caption> <tbody> <tr> <td>Exp. no.</td> <td>Problem</td> <td>Ingredients</td> </tr> <tr> <td>1</td> <td>large intensity differences<br> between peaks</td> <td>α-pinene<br> benzyl benzoate<br> (in CDCl<sub>3</sub>)</td> </tr> <tr> <td>2</td> <td>peak overlap<br> & contamination (extra peaks)</td> <td>imonene<br> α-pinene<br> (in CDCl<sub>3</sub>)</td> </tr> <tr> <td>3</td> <td>low resolution (43 MHz<br> benchtop NMR spectrometer)</td> <td>benzyl benzoate<br> isopropyl myristate<br> limonene<br> pinene</td> </tr> <tr> <td>4</td> <td>lineshape distortion<br> (shim z1 & z2)</td> <td>actate<br> alanine<br> creatine<br> creatinine<br> choline chloride<br> (in D<sub>2</sub>O)</td> </tr> <tr> <td>5</td> <td>peak position<br> mismatch<br> between library<br> and mixture<br> (different<br> temperatures)</td> <td>actate<br> alanine<br> creatine<br> creatinine<br> choline chloride<br> (in D<sub>2</sub>O)</td> </tr> <tr> <td>6</td> <td>test sample</td> <td>α-pinene<br> benzyl benzoate<br> (in CDCl<sub>3</sub>)</td> </tr> <tr> <td>7</td> <td>large intensity<br> differences<br> & peak overlap</td> <td><br> benzyl benzoate<br> m-anisaldehyde<br> (in CDCl<sub>3</sub>)</td> </tr> <tr> <td>8</td> <td><br> peak overlap &<br> different solvents<br> for single<br> ingredients (in CDCl<sub>3</sub>)<br> and mixture (DMSO-d<sub>6</sub>)</td> <td>benzyl benzoate<br> m-anisaldehyde</td> </tr> <tr> <td>9</td> <td>ineshape<br> distortion<br> (shim z2)</td> <td>actate<br> alanine<br> creatine<br> creatinine<br> choline chloride<br> (in D<sub>2</sub>O)</td> </tr> </tbody> </table> <p> </p>
Pan trap and plant-flower visitor observation data for: Multi-species crop mixtures increase insect biodiversity in an intercropping experiment
<ol> <li><span>Recent biodiversity declines require action across sectors such as agriculture. The situation is particularly acute for arthropods, a species-rich taxon providing important ecosystem services. To counteract negative consequences of agricultural intensification, creating a less hostile agricultural "matrix" through growing crop mixtures can reduce harm for arthropods without yield losses. </span></li> <li><span>While grassland biodiversity experiments showed positive plant biodiversity effects on arthropods, experiments manipulating crop diversity and agrochemical input use to study arthropods are lacking. </span></li> <li><span>Here, we experimentally manipulated crop diversity (1–3 species, fallows), crop species (wheat, faba bean, linseed, oilseed rape) and agrochemical input (high vs. low) and studied responses of arthropod biodiversity. We tested if arthropod responses were affected by crop diversity, mixtures and management. Additionally, we measured crop biomass.</span></li> <li><span>Crop biomass increased with crop diversity under high-input mangement, while under low management intensity, biomass was highest in two-species mixtures.</span></li> <li><span>Increasing crop diversity positively affected arthropod abundance and diversity, both under low- and high-input management. Crop mixtures containing faba bean, linseed or oilseed rape had particularly high arthropod diversity.</span></li> <li><span>Mass-flowering crops attracted more arthropods than legumes or cereals. Integrating intercropping into agricultural systems could increase flower visits by insects up to 15 million per hectare, thus likely also supporting pollination and pest-control ecosystem services.</span></li> <li><span>Flower-visitor network complexity increased in mixtures containing linseed and faba bean, and under low-input management.</span></li> <li><span>Intercropping can counteract insect declines in farmland by creating beneficial matrix habitat without compromising crop yield.</span></li> </ol>
Chemical upcycling of polyethylene, polypropylene, and mixtures to high-value surfactants
<p>Conversion of plastic wastes to fatty acids is an attractive means to supplement the sourcing of these high-value, high-volume chemicals. Herein, we report a method for transforming polyethylene (PE) and polypropylene (PP) at ~80% conversion to fatty acids with number average molar masses up to ~700 Da and 670 Da, respectively. The process is applicable to municipal PE and PP wastes and their mixtures. Temperature-gradient thermolysis is the key to controllably degrading PE and PP into waxes and inhibiting producing small molecules. The waxes are upcycled to fatty acids by oxidation over manganese stearate and subsequent saponification. PP ꞵ-scission produces more olefin wax and yields higher acid-number fatty acids than PE. We further convert the fatty acids to high-value, large-market-volume surfactants. Industrial-scale technoeconomic analysis suggests economic viability without subsidies.</p>
Modeling the thermodynamic properties of saturated lactones in non-ideal mixtures with the SAFT-γ Mie approach. JCED 2023
<p>All computational data in the publication.</p>
Root litter decomposition is suppressed in species mixtures and in the presence of living roots
<p>Plant species diversity and identity can significantly modify litter decomposition, but the underlying mechanisms remain elusive, particularly for root litter. Here, we aimed to disentangle the mechanisms by which plant species diversity alters root litter decomposition We hypothesised that 1) interactions between species in mixed communities result in litter that decomposes faster than litter produced in monocultures; 2) litter decomposition is accelerated in the presence of living plants, especially when the litter and living plant identities are matched (known as home field advantage).</p> <p>Monocultures and a mixture of four common grassland species were established to obtain individual litter and a 'natural' root litter mixture. An 'artificial' mixed litter was created using litter from monocultures, mixed in the same proportions as the species composition in the natural litter mixtures based on qPCR measurements. These six root litter types were incubated in four monocultures, a four-species mixture, and an unplanted soil.</p> <p>Root decomposition was strongly affected by root litter identity and the presence, but not diversity, of living roots. Mixed-species litter decomposed slower than expected based on the decomposition of single-species litters. In addition, the presence of living roots suppressed decomposition independent of the match between litter and living plant identities. Decomposition was not significantly different between the 'natural' and 'artificial' root litter mixtures, indicating that root-root interactions in species mixtures did not affect root chemical quality.</p> <p>Synthesis: Suppressed decomposition in the presence of living roots indicates that interactions between microbial communities associated with living roots and root litter control root litter decomposition. As we found no support for the importance of home field advantage or interspecific root interactions in modifying decomposition, suppressed decomposition of mixed-species litter seems to be primarily driven by chemical rather than biotic interactions.</p>
Molecular dynamics simulations of hyaluronan octamer–tetrapeptide mixtures
<p><strong>To cite:</strong> Riopedre-Fernandez, M.; Biriukov, D.; Dračínský, M.; Martinez-Seara, H. Hyaluronan-arginine enhanced and dynamic interaction emerges from distinctive molecular signature due to electrostatics and side-chain specificity. Carbohydr. Polym. 2024, 325, 121568. DOI: <a href="https://doi.org/10.1016/j.carbpol.2023.121568">10.1016/j.carbpol.2023.121568</a></p> <p>MD simulations of hyaluronan octamer (HA8) with tetrapeptides. Simulation files and molecular topologies are provided.</p> <p>Tetrapeptides simulated: tetraarginine (R4), tetralysine (K4), tetraalanine (A4), tetraproline (P4), tetraglycine (G4), arginine-lysine-arginine-lysine (RKRK), and tetraglutamic acid (E4).</p> <p>Two force fields were compared: CHARMM (version charmm36-jul2020.ff.tgz from <a href="http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs">http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs</a>) and prosECCo75 (<a href="https://gitlab.com/sparkly/prosecco/prosECCo75">https://gitlab.com/sparkly/prosecco/prosECCo75</a>).</p> <p>Each simulation contained one hyaluronan polymer, one tetrapeptide, CHARMM-specific TIP3P water, and potassium counterions (standard "K" model in CHARMM and "K_s" model in prosECCo75) when necessary.</p> <p>We also additionally performed: (i) reference simulations with only hyaluronan octamer and potassium counterions; (ii) reference simulations with only R4 or K4 peptide and chloride counterions; (iii) simulations with two peptides (R4, K4, or G4) and two hyaluronan octamers.</p> <p>Simulations were done in Gromacs.</p> <p>Length - at least 1 µs, prolonged till 2 µs for prosECCo75 systems with R4, K4, or G4 peptides.</p> <p>Temperature - 300 K.</p> <p>For peer-reviewing process, extracted PDB configurations (a configuration every 10 ns of 2 μs simulations excluding the first 100 ns of equilibration) from selected systems were separately uploaded to <a href="http://doi.org/10.5281/zenodo.8423276">http://doi.org/10.5281/zenodo.8423276</a></p>
Dataset: Tautomeric Mixture Coordination Enables Efficient Lead-Free Perovskite LEDs
<p>Molecular dynamics trajectories showing the adsorption, clustering and tautomerization of Cyanuric acids molecules on 2D TEA<sub>2</sub>SnI<sub>4 </sub>and 3D CsSnI<sub>3</sub> Perovskites</p> <p>Typical input file for running these simulations on CP2k</p>
Molecular dynamics simulations of hyaluronan octamer–tetrapeptide mixtures (PDB configurations)
<p>Extracted PDB configurations from MD simulations of hyaluronan octamer (HA8) with R4 and K4 tetrapeptides. Simulated explicit water was removed for clarity.</p> <p>See <a href="https://doi.org/10.5281/zenodo.8028600">10.5281/zenodo.8028600</a> for more details about simulated systems.</p>
A Study of Basal Insulin Analog and Insulin Analog Mid Mixture in Chinese Participants With Type 2 Diabetes Mellitus
ClinicalTrials.gov study NCT03018938. IPD Sharing: YES. Countries: 1. Publications: 1.
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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)
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DANDI Archive for NWB datasets
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