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The various isomers including stable structures, carbenes, and diradicals on the C3H4 surface have been investigated. The two carbenes propenylidene and cyclopropylidene have been found to have singlet ground states. Vinylmethylene is predicted to have a triplet ground state with a planar diradical type of structure. The syn and anti forms of this state are degenerate. This is in agreement with the observation of two triplet states in the electron spin resonance (ESR ) spectra. The π electrons are found to be delocalized over the three carbons. The singlet diradical structures are found to be more stable than the carbene structures, which retain the CH2 (DOUBLE BOND) CH allylic structures. The orbital compositions of the frontier orbitals of all systems have been determined to examine the nature of these orbitals. © 1996 John Wiley & Sons, Inc. 相似文献
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Petre Badica Nicolae Dan Batalu Mariana Carmen Chifiriuc Mihail Burdusel Mihai Alexandru Grigoroscuta Gheorghe Virgil Aldica Iuliana Pasuk Andrei Kuncser Marcela Popa Angelo Agostino Lorenza Operti Santanu Kumar Padhi Valentina Bonino Marco Truccato 《Molecules (Basel, Switzerland)》2021,26(19)
Pristine high-density bulk disks of MgB2 with added hexagonal BN (10 wt.%) were prepared using spark plasma sintering. The BN-added samples are machinable by chipping them into desired geometries. Complex shapes of different sizes can also be obtained by the 3D printing of polylactic acid filaments embedded with MgB2 powder particles (10 wt.%). Our present work aims to assess antimicrobial activity quantified as viable cells (CFU/mL) vs. time of sintered and 3D-printed materials. In vitro antimicrobial tests were performed against the bacterial strains Escherichia coli ATCC 25922, Pseudomonas aeruginosa ATCC 27853, Staphylococcus aureus ATCC 25923, Enterococcus faecium DSM 13590, and Enterococcus faecalis ATCC 29212; and the yeast strain Candida parapsilosis ATCC 22019. The antimicrobial effects were found to depend on the tested samples and microbes, with E. faecium being the most resistant and E. coli the most susceptible. 相似文献
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R. M. O'Higgins G. S. Padhi M. A. McCarthy C. T. McCarthy 《Mechanics of Composite Materials》2004,40(4):269-278
Open-hole tension tests are a part of the qualification process for composite parts that need to be joined to other parts in aircraft structures [1]. With each new material, a new set of tests is required. To reduce costs, it is desirable to develop analysis tools for the prediction of damage and failure in such tests, so that the amount of testing can be reduced and predictions can be made about material behaviour early in the design process. In this paper, an experimental and numerical study is presented on the notched (open-hole) strength of high-strength carbon/epoxy composites (HTA/6376). Open-hole tension tests have been performed on specimens with three different lay-ups — quasi-isotropic, zero-dominated, and cross-ply — in accordance with procedures in available standards. The data observed are being used to develop several methods for predicting the notched strength, and results from one such method using a progressive damage analysis are presented with comparisons with experiments. The predictions of specimen stiffness and failure load were found to agree well with experiments. To gain insight into the failure process, damage progression maps are shown. 相似文献
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Visweswara Rao Garimella Sridhar Yeleswarapu Hela Pamidipati Gayatri Padhi Trilochan Anipindi Nageswara Rao 《Transition Metal Chemistry》1999,24(5):566-570
The kinetics of substitution of Fe(tptz)2+2 by 2,2-bipyridine and 1,10-phenanthroline have been investigated in acetate buffers in the 3.6–5.6pH range employing stopped-flow spectrophotometry. These reactions are very fast and complete within 5s. The rate of substitution is linearly dependent on [phen] and [bpy]2, and increases with the increase in pH. Suitable mechanisms have been proposed involving the unprotonated form of the entering ligand, viz. bipyridine/phenanthroline as the reactive species. The pKa values of bipyridine and phenanthroline, determined from the kinetic data, are in agreement with the literature values. It is concluded that the substitutions of iron(II)-diimine complexes also occur by an associative mechanism. 相似文献
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In this paper, oscillation and asymptotic behaviour of solutions of
have been studied under suitable assumptions on the coefficient functions
such that a(t 0, b(t) 0 and c(t) < 0. 相似文献
46.
Srichandan Padhi Marco Masi Sujogya K. Panda Walter Luyten Alessio Cimmino 《Natural product research》2020,34(18):2573-2580
AbstractA new 6-benzyl-γ-pyrone (1), named aspergyllone was isolated from the culture filtrates of an endolichenic fungus Aspergillus niger Tiegh, obtained from lichen thallus Parmotrema ravum (Krog & Swinscow) Serus, collected in India. 1 was isolated for the first time from an endolichenic fungus together with six other known metabolites identified as aurasperones A (2) and D (3), asperpyrone A (4), fonsecinone A (5), carbonarone A (6) and pyrophen (7). The compounds were tested against a panel of human, plant, food borne and fish pathogens. Aspergyllone showed strong selective antifungal activity against Candida parapsilosis (Ashford) Langeron & Talice, with an IC50 of 52?µg/mL. Aurasperone A and pyrophen showed moderate to strong antimicrobial activity inhibiting seven different test pathogens, being pyrophen active with IC50 ranging from 35 to 97?µg/mL. 相似文献
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Syntheses of complexes of the type [ML(NO3)2], where M = Co(II), Ni(II), and Cu(II), L = N-(2-pyridylethyl)pyridine-2-carbaldimine, a tridentate ligand, are described. They were characterized by elemental analysis, spectral, magnetic, thermal studies, and X-ray crystallography. In the cobalt (1), nickel (2), and copper (3) complexes, the bivalent metal ion is coordinated by the three nitrogen atoms of the tridentate L with two pyridine-N groups occupying trans positions. Amongst the two nitrates one coordinates in a bidentate fashion while the other adopts a monodentate fashion. The X-band EPR spectra of 1, 2, and 3 in the polycrystalline state and in acetonitrile solution at 77 K are reported. Room temperature vibrating sample magnetometer data of 1, 2, and 3 afforded μeff values respectively of 3.928, 3.897, and 1.952 BM. The thermal stability order is 1 > 2 > 3, showing a reverse Irving-Williams trend. 相似文献
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