A novel approach for simultaneous determination of polycyclic aromatic hydrocarbons by Shpol'skii non-linear variable-angle synchronous fluorescence spectrometry

A new method of combining low-temperature Shpol'skii effect with non-linear variable-angle synchronous fluorescence spectrometry (L-NLVASFS) has been proposed to increase spectral resolution. This coupled method was applied successfully to the simultaneous identification and quantification of some polycyclic aromatic hydrocarbons (PAHs) in mixtures, which cannot be determined by non-linear variable-angle synchronous fluorescence spectrometry at room-temperature (R-NLVASFS). The usefulness of this method is demonstrated by the analyses of synthetic mixtures and several real samples of airborne particulates.     

Dynamical variational approach to non-adiabatic electronic structure

Studying non-adiabatic effects in molecular dynamics simulations and modeling their optical signatures in linear and non-linear spectroscopies calls for electronic structure calculations in a situation when the ground state is degenerate or almost degenerate. Such degeneracy causes serious problems in invoking single Slater determinant Hartree–Fock (HF) and density functional theory (DFT) methods. To resolve this problem, we develop a generalization of time-dependent (dynamical) variational approach which accounts for the degenerate or almost degenerate ground state structure. Specifically, we propose a ground state ansatz for the subspace of generalized electronic configurations spanned on the degenerate grounds state multi-electron wavefunctions. Further employing the invariant form of Hamilton dynamics we arrive with the classical equations of motion describing the time-evolution of this subspace in the vicinity of the stationary point. The developed approach can be used for accurate calculations of molecular excited states and electronic spectra in the degenerate case.     

Observation on meta-stability of thulium nitrate crystal by using electric measurements

Frequency dependence of ac conductivity from 1 to 10⁵ Hz and time series of the conductivity at 2 kHz were measured along c-axis of thulium nitrate crystal, Tm(NO₃)₃6H₂O at temperatures from 203.15 to 293.15 K. The meta-stability was observed. The frequency spectra of the conductivity were similar to those in disorder system. Aging effect was observed. Non-periodic instability (burst) was found. Non-linear dynamical property was characterized by 1/f noise spectrum, limit cycle in return map and dependence of correlation exponent on embedding dimension.     

Synthesis and characterization of meso-ferrocenylethynyl 5,15-diphenylporphyrins

A series of four meso-ferrocenylethynyl (5,15-diphenylporphyrinato)nickel(II) derivatives have been synthesized by Sonogashira coupling reactions. Three of these compounds contain the electron-withdrawing groups including -CHO, -CHC(CN)₂, and -CCC₆H₄NO₂ at the remaining meso position, with a view to preparing push-pull chromophores, in which ferrocene serves as the electron donor. All the new compounds have been characterized spectroscopically and the molecular structure of one of these porphyrins (compound 11) has also been determined. The studies show that although the ferrocenylethynyl group can extend the π system of the central porphyrin core, the cyclopentadienyl rings of ferrocene are almost orthogonal to the porphyrin ring. This hinders ferrocene serving as a good electron donor in these systems.     

Electron-transfer in molecular functional materials

We discuss electron-transfer processes that govern the physics of several materials or systems of interest for advanced applications. The discussion touches upon several topics, ranging from solvatochromism to solvent-induced symmetry breaking, from excitonic to cooperative effects in molecular crystals, from phase transitions to vibrational contributions to the dielectric constant in organic materials, from spectroscopy to molecular transport. In all these diverse systems electron transfer (ET) plays a major role and is discussed with reference to simple models for delocalized charges.     

Novel shooting method with simple control strategy for fiber lasers

A novel shooting method with excellent simple control strategy is developed for solving the failure to convergence of the traditional shooting methods themselves in fiber lasers model. Compared with the published literature, the novel shooting method provides a clear physical understanding method for getting the threshold pump power and the exact results with given random functions in Yb³⁺-doped fiber lasers and Er³⁺-doped fiber lasers. Then, the results in Er³⁺-doped fiber lasers and Yb³⁺-doped fiber lasers demonstrate that the solutions using the novel shooting method has high accuracy of 10⁻⁸ W with several iteration steps, which have extended the applicable range of the end-pumped power even lower than 1 mW pump power. Furthermore, compared with 1480 nm pump for the threshold and slope efficiencies of the Er³⁺-doped fiber lasers, 978 nm fiber lasers can extend wider scope of application and be pump source in the coming future. Finally, the lower threshold and higher slope efficiency at 975 nm than those of 910 nm pump in Yb³⁺-doped fiber lasers, 975 nm pump laser provides for broad band excellent cladding pump source.     

Spontaneous Resonances and the Coherent States of the Queuing Networks

We present an example of a highly connected closed network of servers, where the time correlations do not vanish in the infinite volume limit. The limiting interacting particle system behaves in a periodic manner. This phenomenon is similar to the continuous symmetry breaking at low temperatures in statistical mechanics, with the average load playing the role of the inverse temperature.     

Highly sensitive room-temperature method of non-invasive in vivo detection of magnetic nanoparticles

Methods of non-invasive in vivo quantification of magnetic nanoparticles (MP) have been proposed and realized. The methods are based on non-linear MP magnetization at two frequencies and measuring the response at combinatorial frequencies. The first method is developed for real-time study of MP dynamics and their clearance from the blood system of animals. High sensitivity of 3 ng of Fe₃O₄ in 0.1 ml was achieved for MP detection in mice tail veins. The second technique is proposed for MP detection inside animal tissues by an external probe. The proposed methods could essentially widen capabilities of biomedical research which involves magnetic nanoparticles.     

Automated phase correction via maximization of the real signal

Due to improved quantification capabilities and enhanced signal-to-noise ratio (SNR), phase-corrected real reconstruction in magnetic resonance imaging is superior to the common magnitude reconstruction, especially at low SNR. This requires the development of an automated phase-correction algorithm. Existing methods are not well suited for multiple unconnected regions of very low SNR. For this situation, a method based on the real-signal maximization is implemented, in which the experimental image phase is approximated by a three-dimensional polynomial of up to third order. The presented implementation was successfully applied to data originating from different samples and pulse sequences.     

Coherent state approach to the cross-collisional effects in the population dynamics of a two-mode Bose–Einstein condensate

We reanalyze the non-linear population dynamics of a Bose–Einstein condensate (BEC) in a double well trap considering a semiclassical approach based on a time dependent variational principle applied to coherent states associated to SU(2) group. Employing a two-mode local approximation and hard sphere type interaction, we show in the Schwinger’s pseudo-spin language the occurrence of a fixed point bifurcation that originates a separatrix of motion on a sphere. This separatrix corresponds to the borderline between two dynamical regimes of Josephson oscillations and mesoscopic self-trapping. We also consider the effects of interaction between particles in different wells, known as cross-collisions. Such terms are usually neglected for traps sufficiently far apart, but recently it has been shown that they contribute to the effective tunneling constant with a factor growing linearly with the particle number. This effect changes considerably the effective tunneling of the system for sufficiently large number of trapped atoms, in perfect accord with experimental data. Finally, we identify analytically the transition parameter associated to the bifurcation in the generalized phase space of the model with cross-collision terms, and show how the dynamical regime depends on the initial conditions of the system and the collisional parameters values.