Search results for " pair"
showing 10 items of 779 documents
Dual attachment pairs in categorically-algebraic topology
2011
[EN] The paper is a continuation of our study on developing a new approach to (lattice-valued) topological structures, which relies on category theory and universal algebra, and which is called categorically-algebraic (catalg) topology. The new framework is used to build a topological setting, based in a catalg extension of the set-theoretic membership relation "e" called dual attachment, thereby dualizing the notion of attachment introduced by the authors earlier. Following the recent interest of the fuzzy community in topological systems of S. Vickers, we clarify completely relationships between these structures and (dual) attachment, showing that unlike the former, the latter have no inh…
High transparency Bi 2 Se 3 topological insulator nanoribbon Josephson junctions with low resistive noise properties
2019
Bi$_2$Se$_3$ nanoribbons, grown by catalyst-free Physical Vapour Deposition, have been used to fabricate high quality Josephson junctions with Al superconducting electrodes. The conductance spectra (dI/dV) of the junctions show clear dip-peak structures characteristic of multiple Andreev reflections. The temperature dependence of the dip-peak features reveals a highly transparent Al/Bi$_2$Se$_3$ topological insulator nanoribbon interface and Josephson junction barrier. This is supported by the high values of the Bi$_2$Se$_3$ induced gap and of I$_c$R$_n$ (I$_c$ critical current, R$_n$ normal resistance of the junction) product both of the order of 160 $\mu$eV, a value close to the Al gap. T…
Dynamics of the excited-state hydrogen transfer in a (dG)·(dC) homopolymer: intrinsic photostability of DNA
2018
Multiscale molecular dynamics simulations reveal out-of-plane distortions that favour DNA photostability. A novel photostability mechanism involving four proton transfers and triggered by a nearby Na+ ion is also unveiled.
The Taming of Redox‐Labile Phosphidotitanocene Cations
2019
International audience; Tame d0 phosphidotitanocene cations stabilized with a pendant tertiary phosphane arm are reported. These compounds were obtained by one-electron oxidation of d1 precursors with [Cp2Fe][BPh4]. The electronic structure of these compounds was studied experimentally (EPR, UV/Vis, and NMR spectroscopy, X-ray diffraction analysis) and through DFT calculations. The theoretical analysis of the bonding situation by using the electron localization function (ELF) shows the presence of π-interactions between the phosphido ligand and Ti in the d0 complexes, whereas dπ–pπ repulsion prevents such interactions in the d1 complexes. In addition, CH–π interactions were observed in seve…
X-ray, conformation and electronic structures of 1-nitropyrrolidine
2016
Abstract The chemistry of pyrrolidine compounds has drawn much attention because of their biological activities. The crystal and molecular structure of 1-nitropyrrolidine (C4H8NNO2) at 150K, along with calculated structures (DFT and MP2), are reported herein. In the solid-state, the asymmetric part of the unit cell is composed of one quartermolecule at the position of two perpendicular mirror planes and the five-membered ring is disordered over a mirror plane, revealing the twisted conformation. Both geometries suggest slight sp3 hybridization of the amine nitrogen atom. The non-planar geometry suggests the lack of conjugation of the amine nitrogen lone pair with the nitro group, however th…
Reversible O–H bond activation by an intramolecular frustrated Lewis pair
2019
The interactions of the O-H bonds in alcohols, water and phenol with dimethylxanthene-derived frustrated Lewis pairs (FLPs) have been probed. Within the constraints of this backbone framework, the preference for adduct formation or O-H bond cleavage to give the corresponding zwitterion is largely determined by pKa considerations. In the case of the PPh2/B(C6F5)2 system and p-tBuC6H4OH, an equilibrium is established between the two isomeric forms which allows the thermodynamic parameters associated with zwitterion formation via O-H bond cleavage to be probed.
DFT Study on the Interaction of Tris(benzene-1,2-dithiolato)molybdenum Complex with Water. A Hydrolysis Mechanism Involving a Feasible Seven-Coordina…
2016
In the present work, the reactivity of the tris(benzene-1,2-dithiolato)molybdenum complex ([Mo(bdt)3]) toward water is studied by means of the density functional theory (DFT). DFT calculations were performed using the M06, B3P86, and B3PW91 hybrid functionals for comparison purposes. The M06 method was employed to elucidate the reaction pathway, relative stability of the intermediate products, nature of the Mo–S bond cleavage, and electronic structure of the involved molybdenum species. This functional was also used to study the transference of electrons from the molybdenum center toward the ligands. The reaction pathway confirms that [Mo(bdt)3] undergoes hydrolysis, yielding dihydroxo-bis(…
Evolution of the human chromosome 13 synteny: Evolutionary rearrangements, plasticity, human disease genes and cancer breakpoints
2020
The history of each human chromosome can be studied through comparative cytogenetic approaches in mammals which permit the identification of human chromosomal homologies and rearrangements between species. Comparative banding, chromosome painting, Bacterial Artificial Chromosome (BAC) mapping and genome data permit researchers to formulate hypotheses about ancestral chromosome forms. Human chromosome 13 has been previously shown to be conserved as a single syntenic element in the Ancestral Primate Karyotype
Seasonal cycle of benthic denitrification and DNRA in the aphotic coastal zone, northern Baltic Sea
2020
Current knowledge on the seasonality of benthic nitrate reduction pathways in the aphotic, density stratified coastal zone of the Baltic Sea is largely based on data from muddy sediments, neglecting the potential contribution of sandy sediments. To gain a more comprehensive understanding of seasonality in this part of the Baltic Sea coast, we measured rates of benthic denitrification, anammox and dissimilatory nitrate reduction to ammonium (DNRA) monthly in the ice-free period of 2016 in both sandy and muddy aphotic sediments, northwestern Gulf of Finland. No anammox was observed. The seasonal cycle of denitrification in both sediment types was related to the hydrography-driven development …
Size-assortative pairing in Gammarus pulex (Crustacea: Amphipoda): a test of the prudent choice hypothesis.
2010
6 pages; International audience; Positive assortative mating is a widespread phenomenon in the animal kingdom. Several hypotheses have been proposed to explain this reproductive pattern in natural populations, but growing evidence suggests that assortative mating most often results from sexual mating preferences. Recently, conditiondependent mate choice in the face of costly competition for mates has been proposed to explain assortative mating in natural populations. Variation in competitive ability may generate variation in both the strength and the direction of mate preference, resulting in assortative mating with respect to individual quality if low-quality competitors are less choosy, o…