First, this dataset contains the documentation of the APS-RA (Advanced Planning Systems Reference Architecture), which is a reference architecture to assist and simplify the development of Advanced Planning Systems (APS). These are specific Decision Support System that automates the optimization of the different organizational process, aiming to provide a user-friendly interface, while automatically interacting with existing enterprise systems. This documentation is provided as a PDF, following the "Views & Beyond" documentation style.
Second, APS-RA has been evaluated using ATAM (Architecture Tradeoff Analysis Method); this process is a known method for assessing software architectures. However, this process was made in two stages, with different stakeholders. This decision was made in order to deal with intrinsic characteristics of both the APS domain and of reference architectures.
Contributors:Maciej Spiegel, Tadeusz Andruniów, Zbigniew Sroka
Flavonoids are known for their antiradical capacity, and this ability is strongly structure dependent. In this research the activity of flavones and flavonols in a water solvent was studied with the density functional theory methods. These included examination of flavonoids’ molecular and radical structures with natural bonding orbitals analysis, spin density analysis and frontier molecular orbitals theory. Calculations of determinants were performed: specific, for the three possible mechanisms of action – hydrogen atom transfer (HAT), electron transfer-proton transfer (ETPT) and sequential proton loss electron transfer (SPLET); and the unspecific – such as reorganization enthalpy (RE) and hydrogen abstraction enthalpy (HAE). Intramolecular hydrogen bonding, catechol moiety activity and probability of electron density swap between rings were established. Hydrogen bonding seems to be much more important than the conjugation effect, because some structures tends to form more intramolecular hydrogen bonds instead of being completely planar. The very first hydrogen abstraction mechanism in a water solvent is SPLET, and the most privileged abstraction site, indicated by HAE, can be associated with C3 hydroxyl group of flavonols and C4’ hydroxyl groups of flavones. For the catechol moiety an intramolecular reorganization to an o-benzoquinone-like structure occurs and the ETPT is favored as the second abstraction mechanism.
Contributors:Erik Tihelka, Michael Engel, Diying Huang, Chenyang Cai
Mimicry is ubiquitous in nature, yet understanding its origin and evolution is complicated by the scarcity of exceptional fossils that enable behavioural inferences about extinct animals. Here we report bizarre true bugs (Hemiptera) that closely resemble beetles (Coleoptera) from mid-Cretaceous amber. The unusual fossil bugs are described as Bersta vampirica gen. et sp. nov. and B. coleopteromorpha gen. et sp. nov., and are placed into a new family, Berstidae fam. nov. The specialised mouthparts of berstids indicate that they were predaceous on small arthropods. Their striking beetle-like appearance implies that they were either involved in defensive mimicry or mimicked beetles to attack unsuspecting prey. The latter represents the first case of aggressive mimicry in the invertebrate fossil record. This rare example of fossilised behaviour enriches our understanding of the palaeoecological associations and extinct behavioural strategies of Mesozoic insects.
Contributors:Quinn Reynolds, Markus Erwee, Oliver Oxtoby, Driaan Bezuidenhout
A dataset of high-speed video footage of mercury droplets settling through liquid media of which the viscosity is different, is presented. The video footage taken was at 4000 frames per second for mercury droplets at room temperature (25 °C) settling through either deionised water or silicone oil. The data set is useful for validation of computational models of a wide range of problems which include phase separation studies, settling behaviour as well as interfacial phenomena in liquid-liquid system.
This dataset includes the raw data (Dataset folder), processed dataset (newfeature.csv; after feature extraction), python code (code.py) of the diagnosis system developed using machine learning algorithms. In order to use different classifiers for the classification, use code.py file, where the bottom line has the different classifier performance commented statements. You may uncomment the statement associated with classifier you want to use to get the classification result.
Contributors:Frank Hanssen, Roel May, Torgeir Nygard
The supplementary information includes the R scripts to run the validation study described in the main text, as well as the data files required to perfomr the validation.
Validation script SI v2.R includes the code to run the validation models, kxv_glmer.R includes the code to perform a cross-validation evaluation of the models and is called for in the former (main) script. The Excel files are loaded within the script, and include respectively the GPS data of white-tailed eagles (GPS_RESULTSx.xls) and five sets of random points per GPS location (RANDOM_RESULTS_1-5.xls). HitraParametre.xlx presents the variables used in the updraft modelling (Table 1 of the main text). NyeTurbinerVerdier.xls is used in the validation R script to assess the location of wind turbines relative to updraft velocities. Both txt files (TERMISK, OROGRAFISK) give the actual updraft velocities across the island of Hitra and are used in the R script to prepare a histogram.