Search results for " Cluster"
showing 10 items of 2162 documents
A Generalized Semiempirical Approach to the Modeling of the Optical Band Gap of Ternary Al-(Ga, Nb, Ta, W) Oxides Containing Different Alumina Polymo…
2021
A generalization of the modeling equation of optical band gap values for ternary oxides, as a function of cationic ratio composition, is carried out based on the semiempirical correlation between the differences in the electronegativity of oxygen and the average cationic electronegativity proposed some years ago. In this work, a novel approach is suggested to account for the differences in the band gap values of the different polymorphs of binary oxides as well as for ternary oxides existing in different crystalline structures. A preliminary test on the validity of the proposed modeling equations has been carried out by using the numerous experimental data pertaining to alumina and gallia p…
A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds
2016
Two previously reported 1,3,5,7,9-pentaazanona-1,3,6,8-tetraenate (PANT) chloride platinum(II) complexes [PtCl{HNC(R)NCN[C(Ph)C(Ph)]CNC(R)NH}] (R = tBu 1, Ph 2) form solvates with halomethanes 1·1¼CH2Cl2, 1·1⅖CH2Br2, and 2·CHCl3. All these species feature novel complex-solvent heterotetrameric clusters, where the structural units are linked simultaneously by two C–X⋯Cl–Pt (X = Cl, Br) halogen and two C–H⋯Cl–Pt hydrogen bonds. The geometric parameters of these weak interactions were determined using single-crystal XRD, and the natures of the XBs and HBs in the clusters were studied for the isolated model systems (1)2·(CH2Cl2)2, (1)2·(CH2Br2)2, and (2)2·(CHCl3)2 using DFT calculations and Bad…
(2S,3S)-2-Azaniumyl-4-[(1S,4aS,4bS,6S,7S,8aS,10aS)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]-…
2018
The title compound, which crystallized as a methanol and water solvate, C24H41NO5·CH4O·H2O, was obtained by heterologous expression of the brasilicardin gene cluster in the bacterium Amycolatopsis japonicum. In the crystal, the components are linked by numerous hydrogen bonds, generating a three-dimensional network.
Linking PO43− and HAsO42− anions with a dinuclear [ZnII2] complex: Formation and stabilization of novel decanuclear metallomacrocyclic [ZnII10] and t…
2017
The linkage of PO43- and HAsO42--anions with a newly synthesized five-coordinate dinuclear zinc complex, Zn-2(cpdp)(H2O)(2)]Cl (1) H(3)cpdp =N,N'-bis2-carboxybenzomethyl]-N,N'-bis2-pyridylmethyl]-1,3diamino propan-2-ol], has been explored. In methanol-water, the reaction of 1 with Na2HPO4 center dot 2H(2)O and Na2HAsO4 center dot 7H(2)O/NaBr separately, at ambient temperature, yielded the novel phosphate-bridged decanuclear zinc cluster, (H3O)(4)Zn-10(cPdP)(4)(mu(5)-PO4)(2)(H2O)(6)](6 center dot Cl)center dot 53H(2)O (2) and hydrogen arsenate bridged tetranuclear zinc cluster, Na-2Zn-4(cpdp)(2)(mu(4)-HAsO4)]ClBr center dot 13H(2)O (3), respectively. Analysis of the single crystal X-ray stru…
Recognition of self-assembled water-nitrate cluster in a Co(III)-2,2′-bipyridine host: Synthesis, X-ray structure, DNA cleavage, molecular docking an…
2016
A mononuclear cobalt(III) complex [Co(bpy)2Cl2]NO3⋅2H2O (1) (bpy = 2,2′-bipyridine) has been synthesized and crystallographically characterized. Self-assembly of the lattice water molecules from rectangular tetrameric water cluster interacts with nitrate anion along the c-axis forming a six membered hexagonal water-nitrate cluster. It presents a new mode of association of water molecules with nitrate molecules which is not predicted theoretically or found experimentally. The molecule effectively cleaves bacterial genomic DNA and shows important cytotoxicity against human hepatocarcinoma cell (HepG2).
Joint interpretation of seismic refraction tomography and electrical resistivity tomography by cluster analysis to detect buried cavities
2020
Abstract In the last few years, the geophysical methods of seismic refraction tomography (SRT) and electrical resistivity tomography (ERT) are among the most used geophysical techniques for the reconstruction of subsoil geometries, for the investigation of underground cavities and also for the archaeological prospecting. However, the main disadvantage of each geophysical method is the difficulty of final interpretation of the data. In order to eliminate artifacts and generally improve the reliability and accuracy of geophysical interpretation, it is useful to perform a joint approach of different geophysical methods, also introducing the a priori information. In this work, it is shown the i…
Estimating Missing Information by Cluster Analysis and Normalized Convolution
2018
International audience; Smart city deals with the improvement of their citizens' quality of life. Numerous ad-hoc sensors need to be deployed to know humans' activities as well as the conditions in which these actions take place. Even if these sensors are cheaper and cheaper, their installation and maintenance cost increases rapidly with their number. We propose a methodology to limit the number of sensors to deploy by using a standard clustering technique and the normalized convolution to estimate environmental information whereas sensors are actually missing. In spite of its simplicity, our methodology lets us provide accurate assesses.
Seismic sources and stress transfer interaction among axial normal faults and external thrust fronts in the Northern Apennines (Italy): A working hyp…
2016
In this study we analyse the main potential seismic sources in some axial and frontal sectors of the Northern Apennines, in Italy. This region was hit by a peculiar series of earthquakes that started in 1916 on the external thrust fronts near Rimini. Later, in 1917-1921, seismicity (up to Mw approximate to 6.5) shifted into the axial zone and clearly migrated north-westward, along the belt of active normal faults. The collection of fault-slip data focused on the active normal faults potentially involved in this earthquake series. The acquired data allowed us to better characterize the geometry and kinematics of the faults. In a few instances, the installation of local seismic networks durin…
Massive Oe/Be stars at low metallicity: Candidate progenitors of long GRBs?
2010
At low metallicity the B-type stars rotate faster than at higher metallicity, typically in the SMC. As a consequence, it was expected a larger number of fast rotators in the SMC than in the Galaxy, in particular more Be/Oe stars. With the ESO-WFI in its slitless mode, the SMC open clusters were examined and an occurence of Be stars 3 to 5 times larger than in the Galaxy was found. The evolution of the angular rotational velocity seems to be the main key on the understanding of the specific behaviour and of the stellar evolution of such stars at different metallicities. With the results of this WFI study and using observational clues on the SMC WR stars and massive stars, as well as the theo…
New Pre-Main Sequence Candidates in the Taurus-Auriga Star Forming Region
2007
Aims. We have studied the X-ray source population of the Taurus Molecular Cloud (TMC) to search for new members of the Taurus-Auriga star forming region. Methods. Candidate members have been selected among the X-ray sources detected in 24 fields of the XMM-Newton Extended Survey of the Taurus Molecular Cloud, having an IR counterpart in the 2MASS catalog, based on color-magnitude and color-color diagrams. Their X-ray spectral properties have been compared with those of known members and other X-ray sources in the same fields but without a NIR counterpart. A search for flare-like variability in the time series of all new candidates and the analysis of the X-ray spectra of the brightest candi…