Formation of H3+ due to intramolecular bond rearrangement in doubly charged methanol

We report the formation of H3+ by proton coagulation in methanol under the impact of low energy Ar(8+) projectiles. Our time-of-flight coincidence measurements with CH3OD establish that the H3+ formation arises from intramolecular bond rearrangement of the methyl group. We have performed ab initio quantum chemical calculations that show the preferred pathway for C-H3 bond cleavage. Fragmentation of organic molecules like methanol under impact of highly charged ions is suggested as an alternative mechanism of H3+ formation in outer space.     

New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching

Similarity searching using a single bioactive reference structure is a well-established technique for accessing chemical structure databases. This paper describes two extensions of the basic approach. First, we discuss the use of group fusion to combine the results of similarity searches when multiple reference structures are available. We demonstrate that this technique is notably more effective than conventional similarity searching in scaffold-hopping searches for structurally diverse sets of active molecules; conversely, the technique will do little to improve the search performance if the actives are structurally homogeneous. Second, we make the assumption that the nearest neighbors resulting from a similarity search, using a single bioactive reference structure, are also active and use this assumption to implement approximate forms of group fusion, substructural analysis, and binary kernel discrimination. This approach, called turbo similarity searching, is notably more effective than conventional similarity searching.     

Slope and curvature of Isgur-Wise function using variationally improved perturbation theory in a quantum chromodynamics inspired potential model

We used variationally improved perturbation theory (VIPT) in calculating the slope and curvature of Isgur-Wise (I-W) function with the Cornell potential −$ \frac{{4\alpha _s }} {{3r}} $ \frac{{4\alpha _s }} {{3r}} +br + c instead of the usual stationary state perturbation theory as done earlier. We used −(4α _s /3r), i.e. the Coulombic potential, as the parent and the linear one, i.e. br+c as the perturbed potential in the theory and calculated the slope and curvature of Isgur-Wise function including three states in the summation involved in the first-order correction to wave function in the method.     

Stability analysis for a nonlinear coupled system of fractional hybrid delay differential equations

The main objective of this research work is to establish existence results as well as to study qualitative aspects of the proposed coupled system of fractional hybrid delay differential equations (FHDDEs). Using the hybrid fixed point theory, we establish appropriate results for the existence of at least one solution to our problem. The powerful tools of functional analysis and dynamical systems are applied to derive different kinds of stability analysis. These include Ulam-Hyers (UH), generalized Ulam-Hyers (GUH), Ulam-Hyers-Rassias (UHR), and generalized Ulam-Hyers-Rassias (GUHR). In order to provide the authenticity of the our results, an illustrative example is given to wind up the present research work.     

Effect of cooling speed on structure and properties of rapidly solidified Pb–25wt.% Sn alloy

The effect of cooling speed on structure, hardness, mechanical and electrical transport properties of rapidly solidified Pb–25wt.% Sn alloy have been investigated. A single roller melt spinning technique with linear speeds 15.7 and 31.7 m/s, was used for the preparation of specimens. The results showed that a lower cooling speed increased the precipitation of Sn in a Pb-matrix phase as compared with the higher cooling speed. This decomposition behavior decreased the electrical resistivity and increased the internal friction, thermal diffusivity and Vickers microhardness of the lower cooling speed as compared with those of the higher cooling speed.     

Artinian cofinite modules over complete Noetherian local rings

Let (R, m) be a complete Noetherian local ring, I an ideal of R and M a nonzero Artinian R-module. In this paper it is shown that if p is a prime ideal of R such that dim R/p = 1 and (0:M p) is not finitely generated and for each i ? 2 the R-module Ext _R ⁱ (M,R/p) is of finite length, then the R-module Ext _R ¹ (M, R/p) is not of finite length. Using this result, it is shown that for all finitely generated R-modules N with Supp(N) ? V (I) and for all integers i ? 0, the R-modules Ext _R ⁱ (N,M) are of finite length, if and only if, for all finitely generated R-modules N with Supp(N) ? V (I) and for all integers i ? 0, the R-modules Ext _R ⁱ (M,N) are of finite length.     

On the proximinality of compact operators over spaces of measurable functions

The main results in this paper are, the characterization of all the σfinite positive measures μ and v, for which K(L₁(μ, L₁(v)) proximinal in K(L₁(μ, L₁(v)) all the a-finite positive measures fi and v, for which K(L_∞(μ), L_∞(v)) is proximinal in L(L_∞μ)), L_v(v)) and all the compact Hausdorff spaces Q, for which K(C(Q), L_∞(μ)) is proximinal in L(C(Q), :_∞(μ))     

Approximate and Exact Small Signal Analysis for Single-Mode Fiber Near Zero Dispersion Wavelength with Higher Order Dispersion

This article presents the comparison of approximate and exact small-signal theories for analyzing the influence of the higher-order dispersion terms on dispersive optical communication systems operating near zero dispersion wavelength for linear single-mode fiber. For the approximate theory, the generalized conversion matrix has been reported and gives the transfer function of intensity and phase from the fiber input to fiber output for a laser source including the influence of any higher-order dispersion term. In addition, expressions for the small-signal frequency response and the relative intensity noise (RIN) response of an ultrafast laser diode including noises are derived. However, it is observed that the approximation assumed for the second-order dispersion term for the approximate analysis is not valid. From the approximate theory, the exact generalized conversion matrix and exact expressions for small-signal frequency response and relative intensity noise (RIN) are obtained. We show that for the exact theory, the second-order dispersion term has no effect on intensity and frequency response even at large modulating frequencies and large propagation distances contrary to the approximate theory as reported by other authors. But we show that third-order dispersion term certainly has some minute impact on the frequency and RIN response for long distance links at high modulating frequencies.