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155 results for “structure control”
Dataset of "Sensitivity analysis in photodynamics: How the electronic structure controls cis-stilbene photodynamics?"
<p>The techniques of computational photodynamics are increasingly employed to unravel reaction mechanisms and interpret experiments. However, inaccuracies in nonadiabatic dynamics can lead to misinterpretations, particularly when calculated observables exhibit low sensitivity to the underlying dynamics. This issue is exemplified in the photochemistry of cis-stilbene, where similar experimental outcomes have been differently interpreted based on the electronic structures supporting nonadiabatic dynamics. This study examines the predictions of cis-stilbene photochemistry using trajectory surface hopping methods coupled with various electronic structures (OM3-MRCISD, SA2-CASSCF, XMS-SA2-CASPT2, and XMS-SA3-CASPT2) and assesses their ability to interpret experimental observations. Although the excited-state lifetimes show consistency, ranging from 360 fs to 295 fs, the reaction quantum yields vary significantly. The quantum yield for cyclization ranges from nearly zero to 35% while the photoisomerization channel can either exceed 50% or be entirely suppressed completely in the second case. Intriguingly, the calculated photoelectron signal is not strikingly different for different reaction scenarios, making the methods seemingly reliable when treated separately Furthermore, analyzing stationary points on the potential energy surface does not reliably predict simulation outcomes, nor does it aid in selecting a specific method before simulations. Therefore, we advocate for incorporating sensitivity analyses in the simulation protocol. While employing an ensemble of methods is impractical, nonadiabatic simulations with external bias present a resource-efficient approach to achieve this goal.</p>
Catalyst Supraparticles: Tuning the Structure of Spray‐Dried Pt/SiO2 Supraparticles via Salt‐Based Colloidal Manipulation to Control their Catalytic Performance
<p>This data publication is based on the metadata and raw datasets underlying the manuscript: P. Groppe, J. Reichstein, S. Carl, C. Cuadrado Collados, B.-J. Niebuur, K. Zhang, B. Apeleo Zubiri, J. Libuda, T. Kraus, T. Retzer, M. Thommes, E. Spiecker, S. Wintzheimer, K. Mandel, Catalyst Supraparticles: Tuning the Structure of Spray-Dried Pt/SiO2 Supraparticles via Salt-Based Colloidal Manipulation to Control their Catalytic Performance. Small 2024, 2310813. https://doi.org/10.1002/smll.202310813</p> <p>A detailed description of the dataset is given in the attached "Raw data assignment.xlsx"</p>
Amendments and seeding did not augment erosion control structure effectiveness in dry rangelands, 2021-2023
This study investigates the effectiveness of combining rock structures with organic amendments (wood mulch or compost) and native perennial grass seed addition to address erosion on rangelands. The study was conducted across five cattle ranches in New Mexico with 9-18 active head cuts studied at each ranch. Rock rundown structures were built at each headcut and a plot above each structure received an organic amendment treatment (compost, mulch, or control) and seed addition treatment (seeded or control).
Data from: warming and top-down control of stage-structured prey: linking theory to patterns in natural systems
<p>Warming has broad and often nonlinear impacts on organismal physiology and traits, allowing it to impact species interactions like predation through a variety of pathways that may be difficult to predict. Predictions are commonly based on short-term experiments and models, and these studies often yield conflicting results depending on the environmental context, spatiotemporal scale, and the predator and prey species considered. Thus, the accuracy of predicted changes in interaction strength, and their importance to the broader ecosystems they take place in, remain unclear. Here, we attempted to link one such set of predictions generated using theory, modeling, and controlled experiments to patterns in the natural abundance of prey across a broad thermal gradient. To do so, we first predicted how warming will impact a stage-structured predator-prey interaction in riverine rock pools between Pantala spp. dragonfly nymph predators and Aedes atropalpus mosquito larval prey. We then described temperature variation across a set of hundreds of riverine rock pools (n = 775) and leveraged this natural gradient to look for evidence for or against our model's predictions. Our model's predictions suggested that warming should weaken predator control of mosquito larval prey by accelerating their development and shrinking the window of time that aquatic dragonfly nymphs could consume them in. This was consistent with data collected in rock pool ecosystems, where the negative effects of dragonfly nymph predators on mosquito larval abundance were weaker in warmer pools. Our findings provide additional evidence to substantiate our model-derived predictions, while emphasizing the importance of assessing similar predictions using natural gradients of temperature whenever possible.</p>
Data and code for: A supergene controlling social structure in Alpine ants also affects the dispersal ability and fecundity of each sex
<p>Social organisation, dispersal and fecundity co-evolve, but whether they are genetically linked remains little known. Supergenes are prime candidates for coupling adaptive traits and mediating sex-specific trade-offs. Here, we test whether a supergene that controls social structure in <em>Formica selysi</em> also influences dispersal-related traits and fecundity within each sex. In this ant species, single-queen colonies contain only the ancestral supergene haplotype <em>M</em> and produce<em> MM</em> queens and <em>M</em> males, while multi-queen colonies contain the derived haplotype <em>P</em> and produce <em>MP </em>queens, <em>PP</em> queens, and <em>P</em> males. By combining multiple experiments, we show that the <em>M </em>haplotype induces phenotypes with higher dispersal potential and higher fecundity, for both sexes. Specifically, <em>MM</em> queens, <em>MP</em> queens, and <em>M </em>males are more aerodynamic and more fecund than <em>PP </em>queens and <em>P</em> males, respectively. Differences between <em>MP</em> and <em>PP</em> queens from the same colonies reveal a direct genetic effect of the supergene on dispersal-related traits and fecundity. The derived haplotype <em>P</em>, associated with multi-queen colonies, produces queens and males with reduced dispersal abilities and lower fecundity. More broadly, similarities between the <em>Formica </em>and <em>Solenopsis</em> systems reveal that supergenes play a major role in linking behavioural, morphological, and physiological traits associated with intraspecific social polymorphisms.</p>
Analyses of human cancer driver genes uncovers evolutionarily conserved RNA structural elements involved in posttranscriptional control - associated datasets
<p>These datasets include raw data output and associated files from ScanFold and CMbuilder analyses of human cancer driver gene mRNA. ScanFold was used to predict RNA regions of unusual thermodynamic stability, and CMbuilder was used to evaluate covariation of the predicted structures in those regions. Please view the file <em>README_general_description_Zenodo_files.txt</em> for brief descriptions of the content.</p> <p>These data are associated with the manuscript entitled <em>Analyses of human cancer driver genes uncovers evolutionarily conserved RNA structural elements involved in posttranscriptional control</em>. The manuscript has currently been submitted for review in PLOS ONE.</p>
Neural structure of a sensory decoder for motor control
<p>Data associated with 'Neural structure of a sensory decoder for motor control.' Egger, SW and Lisberger, SG. <em>Nature Communications</em>, 2022.</p>
Data and code repository for Science Advances submission: Uncovering the biological basis of control energy: structural and metabolic correlates of energy inefficiency in temporal lobe epilepsy
<p>Data and codes related to the findings reported in the manuscript, "Uncovering the biological basis of control energy: structural and metabolic correlates of energy inefficiency in temporal lobe epilepsy", are deposited. Please refer to the notes located within each folder for further descriptions.</p>
Figure 6. Structure of the MAS for integrated greenhouse management system.-Design and Development a Control and Monitoring System for Greenhouse Conditions Based-On Multi Agent System
<p>The complete agents “environment” is shown in figure 6. Each agent receives the necessary<br> environmental or plant condition measurements. While each agent keeps its autonomy and has its<br> own “personal” goals, it interacts with the other agents through some specific communication<br> language, in the “Agent discussion area”, where the overall goal is taken into account. This<br> interaction takes place under the presence of information from the existing models and the target<br> goals. At that point, each agent has decided on its best strategy.</p>
Figure 3 in Getting to a decision: using structured decision-making to gain consensus on approaches to invasive species control
Figure 3. Total multi-attribute utility including all weighted objectives for responding to smallmouth bass in Cultus Lake, BC, across all management activities. Each utility was on a scale from 0-1, so the multi-attribute scale also ranges from 0–1.
Figure 1 in Getting to a decision: using structured decision-making to gain consensus on approaches to invasive species control
Figure 1. Steps involved in structured decision-making. Steps can be re-evaluated at any point; responses should be re-evaluated once new data is gathered following implementation. Adapted from Liu and Cook (2016).
Figure 2 in Getting to a decision: using structured decision-making to gain consensus on approaches to invasive species control
Figure 2. Calculated utility of avoiding fish species at-risk and not at-risk of extirpation in Cultus Lake, BC, across all combinations of smallmouth bass control. Utility is presented on a scale from 0–1.
Рис. 7. Варианты преΑсказанной Αоменной структуры моΛекуΛ аΑгезии гемоцитов моΛΛюсков Planorbarius corneus. УсΛовные обозначения и сокращения: 1–3 — β-интегрины, 4–5 — α-интегрины, 6–7 — сеΛектины, 8–11 — моΛекуΛы семейства САМ (сell adhesiom molecues), INB — субъеΑиницы β-интегрина, IntegrinBcyt — цитопΛазматический Αомен β-интегрина, CY — цистатинопоΑобный Αомен, Int alpha — Αомен α-интегрина, FN3 — Αомен фибронектина типа 3, CCP — Αомен контроΛя компΛемента Fig. 7. Variants of the predicted domain structure of adhesion molecules from hemocytes of Planorbarius corneus molluscs. Symbols and abbreviations: 1–3 — β-integrins, 4–5 — α–integrins, 6–7 — selectins, 8–11 — molecules of the СAM family (cell adhesion molecules), INB — β-integrin subunits, IntegrinBcyt — cytoplasmic domain of β-integrin, CY — cystatin-like domain, Int alpha — α-integrin domain, FN3 — fibronectin type 3 domain, CCP — complement control protein domain in Pathogen recognition molecules from hemocytes of Planorbarius corneus molluscs (Planorbidae, Pulmonata)
Рис. 7. Варианты преΑсказанной Αоменной структуры моΛекуΛ аΑгезии гемоцитов моΛΛюсков Planorbarius corneus. УсΛовные обозначения и сокращения: 1–3 — β-интегрины, 4–5 — α-интегрины, 6–7 — сеΛектины, 8–11 — моΛекуΛы семейства САМ (сell adhesiom molecues), INB — субъеΑиницы β-интегрина, IntegrinBcyt — цитопΛазматический Αомен β-интегрина, CY — цистатинопоΑобный Αомен, Int alpha — Αомен α-интегрина, FN3 — Αомен фибронектина типа 3, CCP — Αомен контроΛя компΛемента Fig. 7. Variants of the predicted domain structure of adhesion molecules from hemocytes of Planorbarius corneus molluscs. Symbols and abbreviations: 1–3 — β-integrins, 4–5 — α–integrins, 6–7 — selectins, 8–11 — molecules of the СAM family (cell adhesion molecules), INB — β-integrin subunits, IntegrinBcyt — cytoplasmic domain of β-integrin, CY — cystatin-like domain, Int alpha — α-integrin domain, FN3 — fibronectin type 3 domain, CCP — complement control protein domain
FIGURE 5 in Structure and composition of ichthyofauna associated with cage fish farming and compared to a control area after severe drought in a Neotropical reservoir
FIGURE 5 | Redundancy analysis (RDA). Relation of ichthyofauna to the significant environmental variable (quota) in the drought and wet seasons in an area without the influence of fish farming (Control) at the Ilha Solteira reservoir, Upper Paraná River, São Paulo, Brazil. Ala = Acestrorhynchus lacustris, Acr = Astronotus crassipinnis, Cke = Cichla kelberi, Cpi = Cichla piquiti, Cbr = Cyphocharax gillii, Cgi = Crenicichla britskii, Gsv = Geophagus sveni, Hma = Hoplias aff. malabaricus, Mac = Megalancistrus parananus, Mli = Metynnis lippincottianus, Oni = Oreochromis niloticus, Ppl = Pimelodus platicirris, Ppi = Pinirampus pirinampu, Psq = Plagioscion squamosissimus, Pam = Pterygoplichthys ambrosettii, Rvu = Rhaphiodon vulpinus, Rde = Roeboides descalvadensis, Spa = Satanoperca pappaterra, Sin = Steindachnerina insculpta, Sit = Schizodon intermedius, Sna = Schizodon nasutus, Sma = Serrasalmus maculatus, Smg = Serrasalmus marginatus, Hbu = Heterotilapia buttikoferi, and Tne = Triportheus nematurus.
FIGURE 4 in Structure and composition of ichthyofauna associated with cage fish farming and compared to a control area after severe drought in a Neotropical reservoir
FIGURE 4 | Beta diversity (PERMDISP) in the drought and wet seasons in the control and fish farm areas at the Ilha Solteira reservoir, Upper Paraná River, São Paulo, Brazil. Average distances of centroids with presence/absence of data. Asterisks indicates significant upper value between seasons within each area.
FIGURE 3 in Structure and composition of ichthyofauna associated with cage fish farming and compared to a control area after severe drought in a Neotropical reservoir
FIGURE 3 | Box plots (minimum and maximum value = vertical line ends, standard error = box, and mean = horizontal line) of the ichthyofauna attributes in the control area and fish farm area, in the drought and wet seasons at the Ilha Solteira reservoir, Upper Paraná River, SP, Brazil. A. Total abundance; B. Species richness; C. Shannon index; D. Pielou evenness. Asterisks indicates significant upper value between seasons within each area. Hash indicates significant upper value between areas within each season.
FIGURE 2 in Structure and composition of ichthyofauna associated with cage fish farming and compared to a control area after severe drought in a Neotropical reservoir
FIGURE 2 | Historical series of the variation in quota (m) between 1999 and 2019 in the Ilha Solteira reservoir, Upper Paraná River, São Paulo, Brazil. The dots indicate the sampling period.
FIGURE 1 in Structure and composition of ichthyofauna associated with cage fish farming and compared to a control area after severe drought in a Neotropical reservoir
FIGURE 1 | Map of South America showing the Ilha Solteira reservoir, with an indication of the sample areas (black circles). Adapted from Kliemann et al. (2018).
Revised supplementary material to "Fumarolic pathways were structurally controlled by a strike-slip fault system beneath the Bishop Tuff, Bishop, California"
<p>Revised supplementary material to "<em>Fumarolic pathways were structurally controlled by a strike-slip fault system beneath the Bishop Tuff, Bishop, California</em>":</p> <p>Figure S1 Supplementary Images V.2.kmz</p> <p>Table S1 Fault Measurements V.2.csv</p> <p>Table S2 Joint Measurements.csv</p> <p>Table S3 Optimal Joints Model Solution.csv</p> <p> </p> <p>Figure S1 Supplementary Images.kmz for use in Google Earth showing field photographs in geographic context. Figure S1 Supplementary Images.kmz contains all supplementary images (S1 to S12), locations and additional images of field photographs of the figures in the main text of the publication (Figures 3,5,7), additional photographs of fault kinematic indicators, sample localities, and some additional photographs. The order of figures in the manuscript changed, so figure numbers differ from the originally published version.</p> <p>Table S1 Fault Measurements.csv contains all measured fault surface orientations (strike and dip), their corresponding slickenline orientations (trend and plunge) and their locations (latitude and longitude in decimal degrees). Fault types were added to the data.</p> <p>Table S2 Joint Measurements.csv contains all measured orientations of joints as measured on a preserved joint wall (strike and dip), their locations (easting and northing in meters), and whether the joint was mineralized or not. No changes were made from the originally published version.</p> <p>Table S3 Optimal Joints Model Solution.csv contains the output to the model presented in the paper. This table was newly added to the revised version of the paper.</p>
Supplementary data for: "Towards automatic generation of control structures for Process Flow Diagrams (PFDs) with Artificial Intelligence"
<p>Uploaded on 20. February 2023</p> <p>This is the supplementary data for the publication</p> <p>"Towards automatic generation of control structures for Process Flow Diagrams (PFDs) with Artificial Intelligence" (2023) by Edwin Hirtreiter, Lukas Schulze Balhorn, Artur M. Schweidtmann</p> <p>Corresponding author: A. M. Schweidtmann, E-mail: a.schweidtmann@tudelft.nl<br> Delft University of Technology, Department of Chemical Engineering, Process Intelligence Group, Van der Maasweg 9, 2629 HZ Delft, The Netherlands</p> <p>The folder contains json files with the training (train), test (test), and augmented training (train_augm) data files. The json files contain syntetically generated SFILES. </p> <p>The pre-print of the manuscript is accessible at https://doi.org/10.48550/arXiv.2211.05583</p>
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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
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.