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ATPU body size at Machias Seal Island
No full textDataset including all measurements of fledgling and adult Atlantic Puffins from Machias Seal Island during 1995 - 202
Colour Tunability of Heteroleptic Ir(III) Complexes Through Second-Sphere Coordination
No full textRaw data for: Novel H-bond-rich iridium (III) complexes with different systems of cyclometalating ligands bearing the general formula [Ir(C^N)2(N^N)] were synthesized, characterized and their photophysical properties measured. The incorporated guanidine moieties allow us to introduce a hydrogen-bonding array for the formation of self-assembled iridium hydrogen-bonded systems. Through a series of UV-Vis binding studies we demonstrated the host-guest chemistry of these systems display high levels of colour tuneability. These hydrogen-bond interactions were also shown to have significant impacts on chromaticity, quantum yields and lifetimes with emphasis on energy transfer studies based on this second-sphere coordination approach.
KEYWORDS: H-Bonding, Colour tuning, Second-Sphere Interaction
Chemical and geochronological data for the Park Spur pluton, Cape Breton Island, Nova Scotia
No full textThese Excel and pdf image files are the supplementary data files that accompany the publication for which the full citation is given below. The Park Spur pluton was emplaced in the Aspy terrane of the central Cape Breton Highlands at 374.2 ± 2.9 Ma (U–Pb zircon). It consists mainly of muscovite-biotite monzogranite with small areas of garnet-bearing muscovite monzogranite and abundant pegmatite and aplite dykes. On its northern margin the pluton intruded metamorphic rocks of the Ordovician–Silurian Cape North Group and associated orthogneiss and on the south it intruded low-grade metamorphic rocks of the Silurian Calumruadh Brook Formation. Deformation along the southern margin of the Park Spur pluton is consistent with emplacement during dextral transpression between the Bras d’Or and Aspy terranes. The Late Devonian age combined with S-type petrological characteristics show that the Park Spur pluton and nearby Canal pluton are related to the ca. 375 Ma Black Brook Granitic Suite, all interpreted to have been emplaced during later stages of the Acadian orogeny in Ganderia as a result of delamination
Supplementary data files accompanying “Geochronology and geochemistry of zircon from Early to Middle Devonian granitic plutonic and volcanic rocks from the Cashes Ledge igneous suite, central Gulf of Maine, USA” (Kuiper et al., 2023).
No full textThese seven files are supplementary data that accompanies the publication for which the full citation is given below. Abstract: New zircon U–Pb, trace element, and Lu–Hf laser ablation inductively coupled mass spectrometry (LA-ICPMS) data are presented for five Early to Middle Devonian granitic and felsic volcanic rocks from the Cashes Ledge igneous suite, central Gulf of Maine, USA. These samples were previously analyzed by U–Pb LA-ICP-MS and whole-rock geochemical methods and the new data generally corroborate the earlier results. Coarse-grained alkali-feldspar granite from northwest of the Fundy magnetic anomaly, the interpreted fault boundary in the offshore between Gondwanan microcontinents Ganderia to the northwest and Avalonia to the southeast, yielded a crystallization age of 414 ± 2 Ma. Southeast of the inferred fault, crystallization ages are 385 ± 3 Ma and 386 ± 3 Ma for two crystal tuff samples near the fault, 403 ± 3 Ma for an alkali-feldspar granite ~50 km southeast of the fault, and 399 ± 5 Ma for syenogranite ~25 km southeast of the fault, which also yielded inherited grains at ~1.3 Ga and between 613 ± 15 Ma and 558 ± 9 Ma. Lu–Hf LA-ICP-MS data for zircon retaining igneous crystallization ages have εHf(t) between 2.9 and 13.1 and model ages based on felsic sources between 0.52 and 1.04 Ga, reflecting a mix of late Mesoproterozoic (Avalonian?) basement and primitive melt, possibly in an extensional setting. Zircon Nb/ Hf ratios generally greater than 0.001 indicate a predominately within-plate/anorogenic/rift setting, consistent with their whole-rock chemistry. U/Yb-Nb/Yb and U/Yb-Hf tectonic setting discrimination diagrams show ocean island to continental arc signatures, with a stronger continental arc signature for the syenogranite. Most zircon grains have Eu/Eu* values less than 0.1, indicating a crustal thickness of ~30 km or less at the time of their crystallization
Documentation for UNB Libraries' Knowledge Synthesis Search Materials Repository
No full textThis dataset contains guidance and documentation on standard file formats, conventions, and licensing for UNB librarians depositing KS materials. Documentation includes a README file with descriptions and examples regarding entering dataset metadata fields in addition to an outline of the structure of the higher level Dataverse repository and sub-repositories. The README also contains a data management plan (DMP) that outlines standard file format and naming conventions for KS deposits. This dataset also contains a template for documenting search strategy details according to PRISMA-S
Housing for All
No full textCabinet and floor plans for affordable housing units. Awarded 3rd Place in the 2023 Off-site Construction Student Design Competition, presented by Off-Site Construction Research Centre (OCRC) at the University of New Brunswick
Compilation of whole-rock chemical data from the Coldbrook Group and associated plutons (Table S1).
No full textThis Excel file is the supplementary chemical data file that accompanied the publication for which the full citation is given below. Abstract: The Coldbrook Group is a unique suite of late Ediacaran volcanic and epiclastic rocks deposited in an extensional setting in the Avalonian Caledonia terrane of southern New Brunswick. It is informally divided into a lower part composed of mainly andesitic to dacitic tuffs and epiclastic sedimentary rocks intruded by bimodal plutons, and an upper part composed mainly of mafic flows and tuffs interlayered with but mainly overlain by rhyolitic flows and tuffs and minor epiclastic sedimentary rocks. Recent U–Pb (zircon) dating of four formations in the Coldbrook Group and a subvolcanic granitic dome led to the proposal that the lower and most of the upper Coldbrook Group and associated plutons were formed within <760 kyr at about 551.5 Ma whereas the uppermost rhyolite (Fundy Trail Parkway rhyolite) and underlying basalt of the Hosford Brook Formation formed in a younger event at about 549.5 Ma. Overlapping dates and chemical data also suggest that the subvolcanic granitic domes are the plutonic counterparts of the ca. 551.5 Ma felsic volcanic rocks whereas the other granitic plutons represent extracted melts that evolved separately. Whole-rock geochemical and isotopic data combined with previous field work and map information and integrated with the geochronological data provide new insights into the genesis of these magmas and their change from intermediate to bimodal magmatism. The data indicate that the volcanic and plutonic rocks are mainly tholeiitic and were derived from varying proportions of juvenile melts and recycled older arc lithosphere. The mafic rocks have chemical similarities to flood basalts which inherited some calc-alkalic signatures from older arc-like rocks. Intermediate magmas that formed much of the lower Coldbrook Group had larger lithospheric inputs and thus have mainly calc-alkalic signatures. The Vernon Mountain, Blackall Lake and Silver Hill area rhyolites represent evolved melts derived from the lower Coldbrook Group magmas, and their chemical differences are interpreted to result from melt extraction and solid-liquid dripping magmatic processes. Enhanced extension and thinning led to formation of less lithosphere-contaminated melts that formed the ca. 549.5 Ma bimodal units of the upper Coldbrook Group
Dual control of the COVID-19 outbreak
No full textThis code simulates an outbreak of COVID-19 and uses a dual control algorithm, iterative linear quadratic regulator (iLQG), to minimize an objective function through actively learning the system's uncertain parameters. This is a set of MATLAB scripts that run the dual iLQG algorithm.
Data was derived from the following sources:
Li and Todorov (2007): Iterative linearization methods for approximately optimal control and estimation of non-linear stochastic system
Tassa, Mansard, Todorov (2014): Control-limited differential dynamic programming
Kohler et. al (2021): Robust and optimal predictive control of the COVID-19 outbreak
These files require MATLAB R2021b or newer and the simulation can be run from the main file Main_Outer_Control_loop.m.
Files include:
Main_Outer_Control_loop.m
iLQG_function.m
l_cost.m
Measurement.m
ContinuousStateDynamics.m
DiscreteStateDynamics.m
forward_pass.m
backward_pass.m
Todorov_estimator.m
SPKF_function.m
simulate_system.m
finite_difference.m
boxQP.m
makePD.m
pp.m
sabs.m</li
SchNet Model Embedding Vectors of QM9 Atoms Labelled According to Functional Groups Designation
No full text(see README file for same description but better formatting) Embedding vectors (Embs0-Embs127) for all atoms in the first 10k molecules (indexed by mol_index) in the QM9 [1] dataset, generated by a trained SchNet model [2], for 6 successive different interaction layers. Embedding vectors are annotated by atom type (atomic_number), xyz coordinates (coordx,coordy,coordz), interaction layer in the network (layer), atomization energy (atomizationE) of the associated atom is given, and labelled according to functional group assignment (ldalabel).
Also contains the model which the embedding vectors were extracted from (model1). The hyperparameters of the trained SchNet model are: 128 filters, 128 atom basis functions, 50 Gaussians, 6 interaction layers, and an interaction cutoff of 50 Angstroms. Model was trained on 100k training points (molecules) and 10k validation points of QM9. Best_model contains the trained model weights and parameters so that they can be loaded. Split.npz file can reproduce the training/validation data split, and lastly the traininglog.csv file contains information about training and validation loss over training epochs.
[1] L. Ruddigkeit, R. van Deursen, L. C. Blum, J.-L. Reymond, Enumeration of 166 billion organic small molecules in the chemical universe database GDB-17, J. Chem. Inf. Model. 52, 2864–2875, 2012; https://doi.org/10.1021/ci300415d
R. Ramakrishnan, P. O. Dral, M. Rupp, O. A. von Lilienfeld, Quantum chemistry structures and properties of 134 kilo molecules, Scientific Data 1, 140022, 2014. https://doi.org/10.1038/sdata.2014.22
[2] Schütt, K., Arbabzadah, F., Chmiela, S. et al. Quantum-chemical insights from deep tensor neural networks. Nat Commun 8, 13890 (2017). https://doi.org/10.1038/ncomms1389
