Estimation of Jc(B) dependence from self-field alternating current (AC) losses measured on Bi-2223/Ag tapes

Transport AC losses measured in self-field conditions on multifilamentary Bi-2223 tapes are often found to be lower than those calculated within the framework of the critical state model for a bulk wire with elliptical cross section, though generally higher than predicted for a strip. This effect is sometimes ascribed to the non-ideal geometry of the tapes, which does not exactly reproduce either shape. Here we propose an alternative explanation assuming that the critical current density of superconducting material depends on magnetic field. In practice, we analyzed the AC loss curve and deduced different I_c values for the individual data points, using the standard Norris equation for elliptical conductor. This gives the relation between ‘calculated' I_c and the self-field associated to AC transport current, which can be regarded as an alternative way to qualify the dependence of J_c on magnetic field. Important is that this procedure covers the range of fields below the self-field at I_c where the measurement in background DC field can not be used to determine J_c(B).     

Homogeneous nucleophilic radiofluorination and fluorination with phosphazene hydrofluorides

A series of phosphazenium hydrofluorides, P(1)(tBu)·[(18/19)F]HF, P(1)(tOct)·[(18/19)F]HF, P(2)(Et)·[(18/19)F]HF, and P(4)(tBu)·[(18/19)F]HF, was synthesized. The radioactive phosphazenium [(18)F]hydrofluorides were obtained by the one-step formation and trapping of gaseous [(18)F]HF with the respective phosphazene bases. The [(19)F] isotopomers were prepared from the corresponding phosphazene bases and Et(3)N·3HF. Under the design of experiment (DoE)-optimized conditions, P(2)(Et)·HF and P(4)(tBu)·HF fluorinated alkyl chlorides, bromides, and pseudohalides in 76-98% yield, but gave lower yields with iodides and electron-deficient arenes. DoE models showed that fluorination can be performed in glass vessels, and that the reactivity of P(2)(Et)·HF and P(4)(tBu)·HF is dominated by solvent polarity but is insensitive to water to at least 2 equiv. In contrast, P(1)(tBu)·HF and P(1)(tOct)·HF were unstable towards autofluorolysis. DFT calculations were performed to rationalize this finding in terms of diminished steric bulk, higher Parr's electrophilicity, and chemical hardness of P(1)(R)H(+). The corresponding radiofluorination reaction gave no valid DoE model but displayed similar substrate scope. High specific activity and excellent radiochemical yields with various pseudohalides (81-91%) suggest that the proposed radiofluorination methodology can complement the current [(18)F]KF/Kryptofix methods, particularly in the areas for which nonpolar reaction conditions are required.     

Synthesis,In Silico and In Vivo Toxicity Assessment of Functionalized Pyridophenanthridinones via Sequential MW-Assisted Intramolecular Friedel-Crafts Alkylation and Direct C–H Arylation

A rapid, efficient, and original synthesis of novel pyrido[3,2,1-de]phenanthridin-6-ones is reported. First, the key cinnamamide intermediates 8a–f were easily prepared from commercial substituted anilines, cinnamic acid, and 2-bromobenzylbromide in a tandem amidation and N-alkylation protocol. Then, these N-aryl-N-(2-bromobenzyl) cinnamamides 8a–f were subjected to a TFA-mediated intramolecular Friedel-Crafts alkylation followed by a Pd-catalyzed direct C–H arylation to obtain a series of potentially bioactive 4-phenyl-4,5-dihydro-6H,8H-pyrido[3,2,1-de]phenanthridin-6-one derivatives 4a–f in good yields. Finally, the toxicological profile of the prepared final compounds, including their corresponding intermediates, was explored through in silico computational methods, while the acute toxicity toward zebrafish embryos (96 hpf-LC₅₀, 50% lethal concentration) was also determined in the present study.     

Synthesis of Functionalized Isoquinolone Derivatives via Rh(III)-Catalyzed [4+2]-Annulation of Benzamides with Internal Acetylene-Containing α-CF3-α-Amino Carboxylates

A convenient pathway to a new series of α-CF₃-substituted α-amino acid derivatives bearing pharmacophore isoquinolone core in their backbone has been developed. The method is based on [4+2]-annulation of N-(pivaloyloxy) aryl amides with orthogonally protected internal acetylene-containing α-amino carboxylates under Rh(III)-catalysis. The target annulation products can be easily transformed into valuable isoquinoline derivatives via a successive aromatization/cross-coupling operation.     

Synthesis,Characterization and DFT Study of a New Family of High-Energy Compounds Based on s-Triazine,Carborane and Tetrazoles

An efficient one-pot synthesis of carborane-containing high-energy compounds was developed via the exploration of carbon–halogen bond functionalization strategies in commercially available 2,4,6-trichloro-1,3,5-triazine. The synthetic pathway first included the substitution of two chlorine atoms in s-triazine with 5-R-tetrazoles (R = H, Me, Et) units to form disubstituted tetrazolyl 1,3,5-triazines followed by the sequential substitution of the remaining chlorine atom in 1,3,5-triazine with carborane N- or S-nucleophiles. All new compounds were characterized by IR- and NMR spectroscopy. The structure of four new compounds was confirmed by single crystal X-ray diffraction analysis. The density functional theory method (DFT B3LYP/6-311 + G*) was used to study the geometrical structures, enthalpies of formation (EOFs), energetic properties and highest occupied and lowest unoccupied molecular orbital (HOMO and LUMO) energies and the detonation properties of synthesized compounds. The DFT calculation revealed compounds processing the maximum value of the detonation velocity or the maximum value of the detonation pressure. Theoretical terahertz frequencies for potential high-energy density materials (HEDMs) were computed, which allow the opportunity for the remote detection of these compounds.     

Eliminating graphs by means of parallel knock-out schemes

In 1997 Lampert and Slater introduced parallel knock-out schemes, an iterative process on graphs that goes through several rounds. In each round of this process, every vertex eliminates exactly one of its neighbors. The parallel knock-out number of a graph is the minimum number of rounds after which all vertices have been eliminated (if possible). The parallel knock-out number is related to well-known concepts like perfect matchings, hamiltonian cycles, and 2-factors.We derive a number of combinatorial and algorithmic results on parallel knock-out numbers: for families of sparse graphs (like planar graphs or graphs of bounded tree-width), the parallel knock-out number grows at most logarithmically with the number n of vertices; this bound is basically tight for trees. Furthermore, there is a family of bipartite graphs for which the parallel knock-out number grows proportionally to the square root of n. We characterize trees with parallel knock-out number at most 2, and we show that the parallel knock-out number for trees can be computed in polynomial time via a dynamic programming approach (whereas in general graphs this problem is known to be NP-hard). Finally, we prove that the parallel knock-out number of a claw-free graph is either infinite or less than or equal to 2.     

Photochromism in single nitrogen-vacancy defect in diamond

Photochromism in single nitrogen-vacancy optical centers in diamond is demonstrated. Time-resolved optical spectroscopy shows that intense irradiation at 514 nm switches the nitrogen-vacancy defects to the negative form. This defect state relaxes back to the neutral form under dark conditions. Temporal anticorrelation of photons emitted by the different charge states of the optical center unambiguously indicates that the nitrogen-vacancy defect accounts for both 575 nm and 638 nm emission bands. Possible mechanism of photochromism involving nitrogen donors is discussed. PACS 61.72.-y;61.72.Ji;03.67.-a     

A quantum computer based on NV centers in diamond: Optically detected nutations of single electron and nuclear spins

In an effort to realize a two-bit processor for a quantum computer on the basis of single nitrogen-vacancy defect centers (NV centers) in diamond, the optically detected nutations of the electron spin of a single NV center in the ground state and of the nuclear spin of a ¹³C atom located at a diamond lattice site nearest to the NV center are studied. The photodynamics of NV and NV + ¹³C centers under different temperatures and optical excitation conditions is discussed. A seven-level model of a center excited by radiation from an Ar⁺ laser at room temperature is proposed. On the basis of this model, the experimental spectra of optically detected electron paramagnetic and electron-nuclear double resonances of single NV and NV + ¹³C centers in diamond nanocrystals, as well as experimental data on the optically detected nutations of the electron and nuclear spins of these centers caused by the actions of pulsed microwave and radiofrequency fields, respectively, are interpreted.     

Form factors,deformed Knizhnik-Zamolodchikov equations and finite-gap integration

We study the limit of asymptotically free massive integrable models in which the algebra of nonlocal charges turns into affine algebra. The form factors of fields in that limit are described by KZ equations on level 0. We show the limit to be connected with finite-gap integration of classical integrable equations.