Common-path achromatic rotational-shearing coronagraph

To suppress starlight for direct exoplanet observation, we propose a common-path achromatic rotational-shearing coronagraph (CP-ARC), which is an interferocoronagraph with an angular-adjustable field rotator. The CP-ARC aims to maintain unwanted detection of stellar light, which can be suppressed incompletely by interference because of the finite diameter of the star. Compared to the previous interferocoronagraph, which had a nonadjustable 180° field rotation, the proposed CP-ARC can improve the coronagraphic contrast by several orders if the CP-ARC is combined with medium or large telescopes where the companion-star separation is optically resolved by more than a few Airy radii. The CP-ARC is made robust against mechanical disturbances due to the common-path interferometer principle.     

A new torsion-rotation fitting program for molecules with a sixfold barrier: Application to the microwave spectrum of toluene

A new program is described for fitting rotation-torsion energy levels in molecules like toluene, in which the frame (C₆H₅) has C_2v symmetry and the methyl top has C_3v symmetry, i.e., for molecules where the internal rotation barrier is expanded in cos6nα, where α is the internal rotation angle and n = 1,2,…. The program is based on the theoretical framework developed by Sørensen and Pedersen in their application of the Longuet-Higgins permutation-inversion group G₁₂ to the microwave spectrum of CH₃NO₂. It is specifically designed for sixfold barrier molecules, and allows the user to select almost any symmetry-allowed torsion-rotation term for inclusion in the fitting Hamiltonian. This program leads to a very successful fit of transitions in the microwave spectrum of toluene characterized by J ? 30, K_a ? 12, and by the free-rotor quantum number ∣m∣ ? 3. In these fits we included both published and rather extensive unpublished new measurements, for which fits using other torsion-rotation programs have not been very successful. The fit presented here uses 28 parameters to give an overall standard deviation of 7.4 kHz for 372 line frequencies, and results in a much improved value for the sixfold barrier for toluene, V₆ = 13.832068(3) cal mol⁻¹.     

Anomalous thermal expansion of InSe layered semiconductors in the low-temperature region

The temperature dependence of the linear thermal expansion coefficient (TEC) of an InSe single crystal in the (001) plane is measured in the temperature range 7–50 K. A peak in the thermal expansion is detected near T = 10 K, after which the sample shrinks upon heating. The effect of an external magnetic field of up to 6 T, which is parallel to the (001) plane, on the TEC is investigated. The observed partial suppression of the peak and crystal compression by the field indicates the relation of these anomalies to possible electron ordering in InSe layers.     

Quantum Bayesian computation

Quantum Bayesian computation is an emerging field that levers the computational gains available from quantum computers. They promise to provide an exponential speed-up in Bayesian computation. Our article adds to the literature in three ways. First, we describe how quantum von Neumann measurement provides quantum versions of popular machine learning algorithms such as Markov chain Monte Carlo and deep learning that are fundamental to Bayesian learning. Second, we describe quantum data encoding methods needed to implement quantum machine learning including the counterparts to traditional feature extraction and kernel embeddings methods. Third, we show how quantum algorithms naturally calculate Bayesian quantities of interest such as posterior distributions and marginal likelihoods. Our goal then is to show how quantum algorithms solve statistical machine learning problems. On the theoretical side, we provide quantum versions of high dimensional regression, Gaussian processes and stochastic gradient descent. On the empirical side, we apply a quantum FFT algorithm to Chicago house price data. Finally, we conclude with directions for future research.     

Modern methods of identifying and determining ginsenosides

Ginsenosides are the main bioactive compounds of the Panax plant genus. Ginseng and its analogues are widely used to produce traditional medicines in China, Korea, Japan, United States, and the Russian Far East. For more than 40 years, many researchers developed methods of identifying and determining and ginsenosides in plant tissues, extracts, and commercial products. Various extraction methods were used to isolate these compounds from plant materials. The separation of ginsenosides was conducted with methods such as gas chromatography, thin-layer chromatography, and high-performance liquid chromatography (HPLC). The HPLC method was used predominantly. Spectrophotometric and fluorescent monitoring and, later, light scattering and mass-spectrometry coupled with HPLC were used to determine ginsenosides. The most recent variants of these methods are presented in this review, together with a critical evaluation of the published results.     

Which Stereoinductor Is Better for Asymmetric Functionalization of α-Amino Acids in a Nickel(II) Coordination Environment? Experimental and DFT Considerations

The results of extended comparative investigation of nickel(II) Schiff base complexes (containing various auxiliary chiral moieties) commonly used as a methodological platform for the asymmetric synthesis of tailor-made α-amino acids are provided. The following issues are addressed: 1) redox activity (determining the possibility for electrochemically induced reactions); 2) quantitative estimation of the reactivity of deprotonated complexes towards electrophiles; and 3) quantum-chemical estimation of noncovalent interactions in the metal coordination environment (which shed light on the origin of the stereochemical outcome observed for different stereoinductors). Possible mechanisms that determine the relationship between the stereochemical configuration of a molecule and its electronic structure are discussed. The DFT-calculated HOMO–LUMO energies and localization, as well as relative energies for the (S)- and (R)-alanine derivatives, that determine the stereoinduction efficiency in thermodynamically controlled reactions in nickel(II) coordination are provided. The computational data are supported by experimental results on the monobenzylation of glycine derivatives.     

Interplay of Antiferromagnetic Coupling and Spin Crossover in Dinuclear Iron(II) Complexes

This article reports on the study of the interplay between magnetic coupling and spin transition in 2,2′-bipyrimidine (bpym)-bridged iron(II) dinuclear compounds. Coexistence of both phenomena has been observed in [Fe(bpym)(NCS)₂]₂bpym, [Fe(bpym)(NCSe)₂]₂bpym and [Fe(bt)(NCS)₂]₂bpym (bpym = 2,2′-bipyrimidine, bt = 2,2′-bithiazoline) by the action of external physical factors namely pressure or electromagnetic radiation. Competition between magnetic exchange and spin crossover has been studied in [Fe(bpym)(NCS)₂]₂bpym at 6.3 kbar. LIESST experiments carried out in [Fe(bpym)(NCSe)₂]₂bpym and [Fe(bt)(NCS)₂]₂bpym at 4.2 K have shown that is possible to achieve dinuclear molecules with different spin states in this class of compounds. This revised version was published online in August 2006 with corrections to the Cover Date.     

Data acquisition system for the socal plane detector of the mass separator MASHA

The results of the development and the general information about the data acquisition system which was recently created at the MASHA setup (Flerov laboratory of nuclear reactions at Joint institute for nuclear research) are presented. The main difference from the previous system is that we use a new modern platform, National Instruments PXI with XIA multichannel high-speed digitizers (250 MHz 12 bit 16 channels). At this moment system has 448 spectrometric channels. The software and its features for the data acquisition and analysis are also described. The new DAQ system expands precision measuring capabilities of alpha decays and spontaneous fission at the focal plane position-sensitive silicon strip detector which, in turn, increases the capabilities of the setup in such a field as low-yield registration of elements.     

Hypercrosslinked polystyrene: A polymer in a non‐classical physical state

Deformation and relaxation properties of hypercrosslinked polystyrene networks have been studied by thermomechanical method at a uniaxial compression using individual spherical beads of the polymer. The networks examined were prepared by postcrosslinking of highly swollen beads of a styrene‐0.3% DVB copolymer with 0.3–0.75 mole of monochlorodimethyl ether, which results in the introduction of 0.6–1.5 methylene bridges between each two polystyrene phenyl rings. The polymers obtained are shown to belong neither to typical glassy materials, nor to typical elastomers. Though no characteristic plateau of rubberlike elasticity was observed on the deformation curves of the beads, the polymers exhibit two fundamentally important features of the rubberlike state: The deformations are large (up to 30–40% of the initial diameter) and reversible. Relaxation of residual deformations, however, requires prolonged heating of the sample, or a cycle of swelling and drying. The deformation can start in the temperature range from −70 to +150°C depending on pressure applied. The crosslinking degree in the range from 40–100% and higher does not affect noticeably the behavior of the hypercrosslinked polystyrene. Nature of the high mobility of the hypercrosslinked network is discussed. © 1999 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 37: 2324–2333, 1999