Asymptotical properties of distributions of isotropic Lévy processes

In this paper, we establish the precise asymptotic behaviors of the tail probability and the transition density of a large class of isotropic Lévy processes when the scaling order is between 0 and 2 including 2. We also obtain the precise asymptotic behaviors of the tail probability of subordinators when the scaling order is between 0 and 1 including 1.The asymptotic expressions are given in terms of the radial part of characteristic exponent $\psi$ and its derivative. In particular, when $\psi \left(\lambda \right)?\frac{\lambda }{2}{\psi }^{\prime }\left(\lambda \right)$ varies regularly, as $\frac{t\psi {\left(r^{?1}\right)}^2}{\psi \left(r^{?1}\right)?{\left(2r\right)}^{?1}{\psi }^{\prime }\left(r^{?1}\right)}\to 0$ the tail probability $–(\left|X_t\right|\ge r)$ is asymptotically equal to a constant times $t(\psi \left(r^{?1}\right)?{\left(2r\right)}^{?1}{\psi }^{\prime }\left(r^{?1}\right)).$     

The nature of the adsorption of nucleobases on the gold [111] surface

Biochip technology is based on the immobilization of biological macromolecules on the surface of electronic devices. The biochemical properties of the immobilized molecules can be influenced to a large extent by the interaction with the inorganic surface. The interaction of DNA with the surface of gold, a metal commonly used in biochip technologies, is sequence dependent as the four nucleobases, adenine, thymine, cytosine, and guanine, interact to a different extent with the gold surface. The nature of nucleobase adsorption on the gold [111] surface has been investigated by performing density functional theory and post-Hartree-Fock calculations. It turns out that the interaction is dominated by dispersion forces and an appreciable degree of chemisorption is observed for adenine only. A set of Lennard-Jones parameters that describe the interaction was derived from the post-Hartree-Fock calculations. Classical molecular dynamics simulations of nucleobase monolayers based on these parameters are in remarkable agreement with the experiment and show that the interaction of the nucleobases with the gold surface is strongly modulated by base-base interactions and reaches a maximum when a full monolayer is formed.     

Modelling,performance improvement and emission reduction of large two-stroke diesel engine using multi-zone combustion model

Journal of Thermal Analysis and Calorimetry - The main energy source in marine industry is fossil fuel. Diesel engines are main power supply in sea transport at present times and will also be in...     

Stochastic analysis of the electromagnetic induction effect on a neuron’s action potential dynamics

Nonlinear Dynamics - The presence of time-varying electromagnetic fields across a neuron cell may cause changes in its electrical characteristics, most notably, in the action potential dynamics....     

Triplet state excitation of alkali molecules on helium droplets: experiments and theory

In this paper, we discuss the electronic structure of alkali dimer molecules in 3Pig states on the surface of a helium droplet. The perturbation due to the droplet will in general not satisfy rotational symmetry around the internuclear axis of the diatom and thus, in addition to a broadening and blue shift, will cause a splitting of electronic levels that are degenerate in the free molecules. We propose a model based on general symmetry arguments and on a small number of physically reasonable parameters. We demonstrate that such a model accounts for the essential features of laser-induced fluorescence (LIF) and magnetic circular dichroism (MCD) spectra of the (1)3Pig-a3Sigma+ transition of Rb2 and K2. Furthermore the MCD spectra, analyzed according to the approach of Langford and Williamson [J. Phys. Chem. A 1998, 102, 2415], allow a determination of the populations of Zeeman sublevels in the ground state and thus a measurement of the surface temperature of the droplet. The latter agrees with the accepted temperature, 0.37 K, measured in the interior of a droplet.     

Chromatographic Resolution,Circular Dichroism Spectra,Absolute Configurations,and Crystal Structures of Bridged Biphenyls,Containing Sulfide,Sulfoxide, and Sulfone Groups in the Bridge

Four chiral 1,1′‐biphenyls with one or two sulfur‐containing bridges in 2,2′‐ or 2,2′‐ and 6,6′‐positions, viz. 1,11‐dimethyl‐5,7‐dihydrodibenzo[c,e]thiepin ( 1 ), its S‐oxide ( 2 ) and S,S‐dioxide ( 3 ), and the doubly bridged 10,12‐dihydro‐4H,6H‐[2]benzothiepino[6,5,4‐def][2]benzothiepin ( 4 ) have been studied by chromatography, CD spectroscopy, X‐ray crystallography, and empirical force‐field and CNDO/S calculations. The structures obtained by force‐field calculations showed good agreement with the crystal structures determined for 2 and 3 . Compounds 2 , 3 , and 4 , but not 1 , could be resolved into enantiomers by chromatography on swollen microcrystalline triacetylcellulose. The barrier for biphenyl inversion in 2 was found to be higher than 167 kJ⋅mol⁻¹ by an attempted thermal racemization. The CD spectra of the enantiomers of 2 – 4 were recorded and resolved into individual bands, and the corresponding rotational strengths were calculated. The transitions showed considerable similarity to those of a 1,1′‐biphenyl with hydrocarbon bridge (cf. 5 ), albeit with bathochromic shifts, which permitted the assignment of the absolute configurations of the enantiomers of 2 – 4 . The assignments were supported by comparison of the experimental CD spectra with spectra calculated by the CNDO/S method. All first‐eluted enantiomers were found to have the (S)‐configuration.     

Monitoring on-chip Pictet-Spengler reactions by integrated analytical separation and label-free time-resolved fluorescence

High-throughput screening for optimal reaction conditions and the search for efficient catalysts is of eminent importance in the development of chemical processes and for expanding the spectrum of synthetic methodologies in chemistry. In this context we report a novel approach for a microfluidic chemical laboratory integrating organic synthesis, separation and time-resolved fluorescence detection on a single microchip. The feasibility of our integrated laboratory is demonstrated by monitoring the formation of tetrahydroisoquinoline derivatives by Pictet-Spengler condensation. After on-chip reaction the products and residual starting material were separated enantioselectively on the same chip. On-chip deep UV laser-induced fluorescence detection with time-correlated single photon counting was applied for compound assignment. The system was utilized to screen reaction conditions and various substrates for Pictet-Spengler reactions on-chip. Finally, the microlab was successfully applied to investigate enantioselective reactions using BINOL-based phosphoric acids as organocatalysts.     

Prediction of diesel fuel properties by vibrational spectroscopy using multivariate analysis

Partial least squares regression (PLS) calibration models based on Fourier transform infrared (FTIR-ATR) and Raman spectra (FT-Raman) were applied to the rapid and accurate simultaneous determination of the main properties of diesel fuels. Training sets were composed of over ninety commercial diesel fuel samples. The methods use baseline-uncorrected, raw FTIR-ATR and FT-Raman spectra. Two spectral regions were studied: full spectral region and “fingerprint” region. The models were validated using the cross-validation process. Based on the correlation coefficient and root mean square error of cross validation (RMSECV) values the both developed calibration models, PLS/FTIR-ATR and PLS/FT-Raman, were very accurate and comparable with standard testing methods. The following diesel fuel properties may be confidently estimated: cetane number, cetane index, density, viscosity, distillation temperatures at 10% (T10), 50% (T50) and 90% (T90) recovery, as well as the contents of total aromatics and polycyclic aromatic hydrocarbons. As compared to the “fingerprint” spectral region, the PLS/FTIR-ATR model using full spectral region displayed slightly better performances with the most of the correlation coefficient values above 0.98.