Calculations of Isoelectronic Series of He Using Noninteger n‐Slater Type Orbitals in Single and Double Zeta Approximations

Using integer and noninteger n-Slater type orbitals in single- and double-zeta approximations, the Hartree-Fock-Roothaan calculations were performed for the ground states of first ten cationic members of the isoelectronic series of He atom. All the noninteger parameters and orbital exponents were fully optimized. In the case of noninteger n-Slater type orbitals in double zeta basis sets, the results of calculations obtained are more close to the numerical Hatree-Fock values and the average deviations of our ground state energies do not exceed 2×10^－6 hartrees of their numerical results.     

On the Modeling of CO2 EUA and CER Prices of EU‐ETS for the 2008–2012 Period

Increased consumption of fossil fuels in industrial production has led to a significant elevation in the emission of greenhouse gases and to global warming. The most effective international action against global warming is the Kyoto Protocol, which aims to reduce carbon emissions to desired levels in a certain time span. Carbon trading is one of the mechanisms used to achieve the desired reductions. One of the most important implications of carbon trading for industrial systems is the risk of uncertainty about the prices of carbon allowance permits traded in the carbon markets. In this paper, we consider stochastic and time series modeling of carbon market prices and provide estimates of the model parameters involved, based on the European Union emissions trading scheme carbon allowances data obtained for 2008–2012 period. In particular, we consider fractional Brownian motion and autoregressive moving average–generalized autoregressive conditional heteroskedastic modeling of the European Union emissions trading scheme data and provide comparisons with benchmark models. Our analysis reveals evidence for structural changes in the underlying models in the span of the years 2008–2012. Data‐driven methods for identifying possible change‐points in the underlying models are employed, and a detailed analysis is provided. Our analysis indicated change‐points in the European Union Allowance (EUA) prices in the first half of 2009 and in the second half of 2011, whereas in the Certified Emissions Reduction (CER) prices three change‐points have appeared, in the first half of 2009, the middle of 2011, and in the second half of 2012. These change‐points seem to parallel the global economic indicators as well. Copyright © 2016 John Wiley & Sons, Ltd.     

Sufficient conditions for the invertibility of adapted perturbations of identity on the Wiener space

Let (W, H, μ) be the classical Wiener space. Assume that U = I _W  + u is an adapted perturbation of identity, i.e., u : W → H is adapted to the canonical filtration of W. We give some sufficient analytic conditions on u which imply the invertibility of the map U. In particular it is shown that if ${u\in {\rm ID}_{p,1}(H)}$ is adapted and if ${\exp(\frac{1}{2}\|\nabla u\|_2^2-\delta u)\in L^q(\mu)}$ , where p ^?1 + q ^?1 = 1, then I _W  + u is almost surely invertible. With the help of this result it is shown that if ${\nabla u\in L^\infty(\mu,H\otimes H)}$ , then the Girsanov exponential of u times the Wiener measure satisfies the logarithmic Sobolev inequality and this implies the invertibility of U = I _W  +  u . As a consequence, if, there exists an integer k ≥  1 such that ${\|\nabla^k u\|_{H^{\otimes(k+1)}}\in L^\infty(\mu)}$ , then I _W  +  u is again almost surely invertible under the almost sure continuity hypothesis of ${t\to\nabla^i \dot{u}_t}$ for i ≤  k ? 1.     

Dynamic collision-induced dissociation (DCID) in a quadrupole ion trap using a two-frequency excitation waveform: I. Effects of excitation frequency and phase angle

This study describes the application of a two-frequency excitation waveform to the end-cap electrodes of a quadrupole ion trap (QIT) during the mass acquisition period to deliberately fragment selected precursor ions. This approach obviates the need for a discrete excitation period and guarantees on-resonant excitation conditions without any requirement for resonant tuning; it is therefore faster than the conventional approach to collision-induced dissociation (CID) in QITs. The molecular ion of n-butylbenzene is used as thermometer molecule to determine the energetics of the new excitation procedure. The excitation waveform, consisting of two closely spaced sinusoidal frequencies, has an interference pattern that displays nodes and crests in the time domain. The energetics (determined by the product ion ratios of 91/92 Th) and CID efficiencies are highly dependent on the excitation amplitude, the relative position of the excitation frequencies in the Mathieu stability diagram, and whether the ions come into resonance during a node or crest of the excitation waveform. Under highly energetic conditions, ratios of 91/92 as large as 15 can be obtained at concomitant CID efficiencies of 10%, indicating internal energies in excess of 10 eV at the time of fragmentation. These extremely high internal energies far exceed the energetics achievable using conventional on-resonance excitation in QITs, indicating that the collisional heating rate is very fast in the new approach. Under less energetic conditions CID efficiencies as high as 70% are possible, which compares favorably with results obtained by conventional on-resonance excitation. Correlation analyses are used to determine the conditions that simultaneously optimize energetic and efficient fragmentation conditions.     

光纤水听器解调技术研究进展

光纤水听器是水声研究领域的关键技术,在实际应用中具有显著优势,广泛应用于AUV导航定位、资源勘探、海水警戒等场景.光纤水听器将声信号转化为光信号传播,在接收信号时就需要对光信号进行解调提取出声压信号.总结了几种常用的信号解调算法及关键技术,包括PGC解调法、3×3耦合器解调法和外差解调法;介绍了各种解调算法的基本原理和...     

Solvent Effect upon Ion-pair Extraction of Different Sodium Dyes Using Some Crown Ethers

Liquid-liquid extractive-spectrophotometric studies of sodium ion complexes of 18-crown-6(18C6), dibenzo-18-crown-6(DB18C6), 15-crown-5(15C5), and 12-crown-4(12C4) and anionic dyes [4-(2-pyridylazo)-resorcinol monosodium salt monohydrate (PAR), Eriochrom Black T (EBT), and methyl orange (MOR)] and sodium picrate (PICRAT) as the counter ion are described. The overall extraction equilibrium constants for the 1 : 1 complexes of the above crown ethers with sodium dyes between different organic solvents and water have been determined at 25deg;C. They were conducted in various solvent-water systems maintaining an identical initial cation concentration in water, [M0+]w, and macrocyclic ligand concentration in the organic phase, [L0]org}, so that in all extractions [M0+]w : [L0]org ratios were 1 : 1, 1 : 10, 1 : 20, 1 : 50, and 1 : 62.5. An ion association complex formed between the sodium-crown ether complex ion and a dye anion was extracted into the organic solvent, and then the dye concentration of the separated aqueous phase was measured with an ultraviolet-visible spectrophotometer. PAR was the best associated dye with all crown ethers sodium-dyes and the extracted dye occurs as the ion-pair complex. Methylene chloride was found to be better than other extractive solvents used in this study.     

Multiscale expansions in discrete world

In this paper, we show the attainability of KdV equation from some types of nonlinear Schrödinger equation by using multiscale expansions discretely. The power of this manageable method is confirmed by applying it to two selected nonlinear Schrödinger evolution equations. This approach can also be applied to other nonlinear discrete evolution equations. All the computations have been made with Maple computer packet program.     

PHA-L lectin and carbohydrate relationship: conjugation with CdSe/CdS nanoparticles, radiolabeling and in vitro affinities on MCF-7 cells

This research aims to investigate the interaction between phytohemagglutinin-L (PHA-L) and sialic acid, which is abundant on the breast cancer cell (MCF-7) surface and displays monosaccharide characteristics, by experimental and computational methods. Experimentally, CdSe/CdS nanoparticles (QDs) were synthesized; PHA-L was conjugated with QDs and labeled with ¹²⁵I. Radiolabeling yield was found to be 97 ± 1.2 %. Afterwards, in vitro bioaffinities of radiolabeled PHA-L conjugated QDs have been investigated on MCF-7 cells and it has been observed that the cell incorporation increased with time. The results indicated that ¹²⁵I labeled QD-PHA-L conjugates represent significant affinity on MCF-7 cells. In the second step of the study, the crystal structure of carbohydrate interaction surface of PHA-L was extracted from the crystal structure of PHA-L. The interactions between this surface and sialic acid were calculated by computational tools. These calculations revealed specific interactions between PHA-L and sialic acid. Semi-empirical methods, PM3 and AM1, were used in these calculations. Significant outcomes have been obtained from the experimental and computational studies and these results demonstrated that PHA-L may be an effective agent for imagining MCF-7 cells.