Search results for "BIP"
showing 10 items of 1908 documents
Statistically validated networks in bipartite complex systems.
2011
Many complex systems present an intrinsic bipartite nature and are often described and modeled in terms of networks [1-5]. Examples include movies and actors [1, 2, 4], authors and scientific papers [6-9], email accounts and emails [10], plants and animals that pollinate them [11, 12]. Bipartite networks are often very heterogeneous in the number of relationships that the elements of one set establish with the elements of the other set. When one constructs a projected network with nodes from only one set, the system heterogeneity makes it very difficult to identify preferential links between the elements. Here we introduce an unsupervised method to statistically validate each link of the pr…
Tabu search for the dynamic Bipartite Drawing Problem
2018
Abstract Drawings of graphs have many applications and they are nowadays well-established tools in computer science in general, and optimization in particular. Project scheduling is one of the many areas in which representation of graphs constitutes an important instrument. The experience shows that the main quality desired for drawings of graphs is readability, and crossing reduction is a fundamental aesthetic criterion to achieve it. Incremental or dynamic graph drawing is an emerging topic in this context, where we seek to preserve the layout of a graph over successive drawings. In this paper, we target the edge crossing reduction in the context of incremental graph drawing. Specifically…
An inconvenient influence of iridium(III) isomer on OLED efficiency.
2010
The recently reported heteroleptic cyclometallated iridium(III) complex [Ir(2-phenylpyridine)(2)(2-carboxy-4-dimethylaminopyridine)] N984 and its isomer N984b have been studied more in detail. While photo- and electrochemical properties are very similar, DFT/TDDFT calculations show that the two isomers have different HOMO orbital characteristics. As a consequence, solution processed OLEDs made using a mixture of N984 and isomer N984b similar to vacuum processed devices show that the isomer has a dramatic detrimental effect on the performances of the device. In addition, commonly used thermogravimetric analysis is not suitable for showing the isomerization process. The isomer could impact pe…
Palladium supported on Halloysite-triazolium salts as catalyst for ligand free Suzuki cross-coupling in water under microwave irradiation
2015
Abstract Environmental friendly halloysite-dicationic triazolium salts (second generation) obtained by subsequent click reactions of a diyne derivative in the presence of 2-azidopropyl-modified halloysite nanotubes, were used as supports for palladium catalyst. Thanks to the high triazolium loading (25%) these materials were able to support higher amount of the metal than that on the monocationic derivative (first generation). Such materials were characterized by thermogravimetric analysis, FT-IR spectroscopy and SEM investigations. The new catalytic system was employed in the ligand free Suzuki cross-coupling under microwave irradiation. A set of solvent, time and% loading of palladium was…
Structural basis and effect of copper(II) complexes with 4-oxo-thiazolidine ligands on DNA binding and nuclease activity
2020
Abstract Seven novel Copper(II) complexes, namely [Cu(Am4DHotaz)(H2O)2](ClO4) (1), [Cu(Am4DHotaz)(NO3)(MeOH)]·H2O (2), [Cu(Am4Motaz)2(H2O)](ClO4)2·0.83H2O (3), [Cu(Am4Motaz)2(NO3)]NO3·MeOH (4), [Cu(Am4Eotaz)2(NO3)]3(NO3)3·2H2O (5), [Cu(Am4Eotaz)2(ClO4)](ClO4) (6) and [Cu(Am4Eotaz)(ClO4)(H2O)](ClO4) (6a) (HAm4DHotaz = N′-(4-oxothiazolidin-2-ylidene)pyridine-2-carbohydrazonamide, Am4Motaz = N′-(3-methyl-4-oxothiazolidin-2-ylidene)pyridine-2-carbohydrazonamide and Am4Eotaz = N′-(3-ethyl-4-oxothiazolidin-2-ylidene)pyridine-2-carbohydrazonamide), have been successfully synthesized and characterized by several physicochemical techniques and, for 1–6 complexes, single crystal X-ray diffraction. Ha…
Assessment of the antioxidant and antibacterial activities of different olive processing wastewaters.
2017
Olive processing wastewaters (OPW), namely olive mill wastewater (OMW) and table-olive wastewaters (TOW) were evaluated for their antibacterial activity against five Gram-positive and two Gram-negative bacteria using the standard disc diffusion and thin layer chromatography (TLC)-bioautography assays. Disc diffusion screening and bioautography of OMW were compared to the phenolic extracts of table-olive brines. Positive activity against S. aureus was demonstrated. The optimization of chromatographic separation revealed that hexane/acetone in the ratio of 4:6 was the most effective for phenolic compounds separation. A HPLC-MS analysis was performed showing that only two compounds, hydroxytyr…
The two-dimensional iron(ii)–thiocyanate–4,4′-bipyridine coordination network
2010
The crystal structures of eight solvates of {Fe(4,4′-bipyridine)2(NCS)2}n have been determined. All of them contain a layered iron–bipyridine–thiocyanate framework formed from approximately square infinite two-dimensional (4,4) iron–bipyridine grids, with the solvent molecules hosted between adjacent layers. All the structures contain the iron(II) centres in the high-spin electronic configuration, and magnetic susceptibility measurements on the toluene and nitrobenzene solvates do not reveal any spin-crossover behaviour.
Identification of Clusters of Investors from Their Real Trading Activity in a Financial Market
2011
We use statistically validated networks, a recently introduced method to validate links in a bipartite system, to identify clusters of investors trading in a financial market. Specifically, we investigate a special database allowing to track the trading activity of individual investors of the stock Nokia. We find that many statistically detected clusters of investors show a very high degree of synchronization in the time when they decide to trade and in the trading action taken. We investigate the composition of these clusters and we find that several of them show an over-expression of specific categories of investors.
Molecular orbital studies on brominated diphenyl ethers. Part II—reactivity and quantitative structure–activity (property) relationships
2005
Polybrominated diphenyl ethers (PBDEs) are widely used as flame retardants and are increasingly turning up in the environment. Their structural similarities to polychlorinated biphenyls and thyroid hormones suggest they may be a risk to human health. The present study examines the reactivity of brominated diphenyl ethers (BDEs) on the basis of the electronic structures as calculated by semiempirical AM1 self-consistent field molecular orbital (SCF-MO) method. Frontier orbital energies were used to elucidate the reactivity of BDEs in electrophilic, nucleophilic and photolytic reactions. From an examination of the frontier electron densities, the regioselectivity, or orientation, of metabolic…
Supercritical carbon dioxide extraction of seed oil from yellow horn (Xanthoceras sorbifolia Bunge.) and its anti-oxidant activity
2010
Supercritical fluid carbon dioxide (SF-CO(2)) extraction (SFE) of seed oil from yellow horn and its anti-oxidant activity were investigated. The effects of CO(2) flow rate and particle size were firstly optimized, and a central composite design (CCD) combined with response surface methodology was used to study the effects of extraction pressure, temperature and time on the extraction yields. A maximal extraction yield of 61.28% was achieved under optimal conditions of extraction pressure 30 MPa at 45.68 degrees C, 2.08 h and CO(2) flow rate 12 kg/h with 0.5mm particle size. By analyzing the chemical composition of the seed oil, we found that the content of unsaturated fatty acids was approx…