Numerical distribution functions for seasonal unit root tests with OLS and GLS detrending

This paper implements the approach introduced by MacKinnon (J Bus Econ Stat 12:167–176, 1994, J Appl Econom 11:601–618, 1996) to estimate the response surface of the test statistics of seasonal unit root tests with OLS and GLS detrending for quarterly and monthly time series. The Gauss code that is available in the supplementary material of the paper produces p values for five test statistics depending on the sample size, deterministic terms and frequency of the data. A comparison with previous studies is undertaken, and an empirical example using airport passenger arrivals to a tourist destination is carried out. Quantile function coefficients are reported for simple computation of critical values for tests at 1, 5 and 10 % significance levels.     

A Better Understanding of the Very Low-Pressure Plasma Polymerization of Aniline by Optical Emission Spectroscopy Analysis

In the wavelength range from 200 up to 1000 nm, optical emission from electronically excited fragments (CN, CH, NH, C₂, H₂, N₂, N₂⁺, and H-Balmer) is detected when aniline plasmas are generated in a multi-dipolar microwave reactor. The optical emission spectrum monitored in very low-pressure conditions (~?1 mTorr) shows important characteristics. The H_α, H_β and CN species are the most radiating systems and according to the NH/N₂ intensity ratio, two different operating regimes are observed suggesting a change in the reaction pathways. These two regimes are correlated to changes of the plasma characteristics (electron temperature and density) deduced from Langmuir probe measurements. The plasma thermodynamic state is quantified by implementing numerical simulation codes for synthetic spectra calculations. The rovibrational temperatures (T_r, T_v) are determined for some neutral species (CN, CH). The obtained values of T_r and T_v show the non-local thermodynamic equilibrium of the vibrational and rotational states (T_r?<?T_v). Moreover, the very low pressure aniline-based plasmas deviate substantially from the Boltzmann distribution. Correlation between the optical emission data and the solid phase analysis allows proving that the in situ characterization of the plasma phase is an important predictive tool of physico-chemical properties of the film. From these correlated data, we deduce preponderant chemical reaction pathways which help to better understand the plasma generation. Relative contributions of the dehydrogenation of C–H and N–H groups are established in order to deduce the leading initiation reaction for H-Balmer line formation.     

Efficient synthesis of methyl 4-chloro-6-fluoro-3-formyl-2H-chromene-2-carboxylate and its derivatives

Abstract  

Methyl 4-chloro-6-fluoro-3-formyl-2H-chromene-2-carboxylate was synthesized conveniently using Vilsmeier reagent. A series of new 2H-chromenes was prepared in high yields by introducing a corresponding β-halovinylaldehyde into condensation and cyclization reactions with active methylene compounds.     

Kinetics and Optical Properties of the Strongly Driven Gas Medium of Interacting Atoms

This paper investigates stimulated emission and absorption near resonance for a driven system of interacting two-level atoms. Microscopic kinetic equations for the density matrix elements of N-atom states including atomic motion are built, taking into account atom-field and atom-atom interactions. Analytical solutions are given for the resulting macroscopic equations in different limits, for a system composed of a strong coherent “pump” field and a weak counter-propagating “probe” field. It was shown that the existence of a dipole-dipole (long-range) interaction between atoms separated by distance less than the pump wave-length can cause the formation of periodic polarization and population structures (gratings in time and space) in the pumped medium without a probe field. The magnitude of pump induced population grating can have a strong dependence on the relation between the pump field detuning and the polarization decay rate. The “interaction” between pump and probe induced polarization/population gratings through a dipole-dipole interaction mechanism causes the absorption line shape asymmetry. Under certain conditions, this asymmetry is revealed in increasing probe gain for the “red”-shifted (relative to pump) probe and suppressing the gain for the “blue”-shifted probe field when pump is “red”-shifted relative to the ensemble averaged resonant frequency. The theoretical results are consistent with experimental data for the probe gain or absorption as the function of frequency and the dependance of the gain on atomic density for sodium vapor when the pump laser is tuned near the D ₂ line. Here the dependance of gain on particle density was explained in the terms of the long-range interaction between the atoms.     

S,N‐Chelated organotin(IV) compounds containing 6‐phenylpyridazine‐3‐thiolate ligand—structural,antibacterial and antifungal study

A series of tri‐ and diorganotin(IV) compounds containing potentially chelating S,N‐ligand(s) (L^SN, where L^SN is 6‐phenylpyridazine‐3‐thiolate) were prepared and structurally characterized by multinuclear NMR spectroscopy. X‐ray diffraction techniques were used for determination of the structure of compounds containing one [(L^SN)Ph₂SnCl], two [(n‐Bu)₂Sn(L^SN)₂] and the combination of two L^SN and one L^CN [(L^CN)(n‐Bu)Sn(L^SN)₂] (where L^CN is {2‐[(CH₃)₂NCH₂]C₆H₄}‐) ligands. The coordination number of the tin atom varies from five to seven and is dependent on the number of chelating ligands present. The formation of the five‐membered azastanna heterocycle is favored over the formation of four‐membered azastannathia heterocycle in compounds containing both types of ligands. The di‐n‐butyl‐substituted compounds are the most efficient ones in inhibition of growth of yeasts, molds and G⁺ bacteria strains. Copyright © 2011 John Wiley & Sons, Ltd.     

Merocyanines based on 1,3‐indanedione: electronic structure and solvatochromism

A series of merocyanines derived from 1,3‐indanedione and heterocycles of various electron‐donating properties was studied in detail. Their solvatochromic properties were explored in a wide range of solvent polarities to reveal the dependences of their chromacity and electronic structure on the key structural parameters – the properties of a donor heterocycle and the polymethine chain length. Also the dyes were studied by NMR spectroscopy and by quantum chemical calculations, both with the semiempirical AM1 and the non‐empirical density functional theory/B3LYP method. The solvatochromic properties of the explored dyes are rather close to those of merocyanines derived from malononitrile as acceptor group. Appreciable distinctions were observed only in protic ethanol; obviously, they are connected with the formation of solvent–solute H‐bonds in the case of 1,3‐indanedione derivatives. The electron‐acceptor properties of 1,3‐indanedione were found to be somewhat stronger in comparison with those of malononitrile even in aprotic solvents, contrary to the known literature data. Analysis of the merocyanines' molecular orbitals and simulation of their electronic spectra were carried out both in vacuum and in the solvent matrix, and the absorption electronic transitions were analyzed. Static nonlinear optical properties were calculated for both the new merocyanines and the corresponding cationic and anionic cyanine dyes. Copyright © 2010 John Wiley & Sons, Ltd.     

Gaps in the spectrum of the Neumann Laplacian generated by a system of periodically distributed traps

The article deals with a convergence of the spectrum of the Neumann Laplacian in a periodic unbounded domain Ω^ϵ depending on a small parameter ϵ > 0. The domain has the form , where S^ϵ is an -periodic family of trap-like screens. We prove that, for an arbitrarily large L, the spectrum has precisely one gap in [0,L] when ϵ is small enough; moreover, when ϵ → 0, this gap converges to some interval whose edges can be controlled by a suitable choice of geometry of the screens. An application to the theory of 2D photonic crystals is discussed. Copyright © 2014 John Wiley & Sons, Ltd.