Mechanistic pathways for the reaction of quercetin with hydroperoxy radical

The extensive theoretical study of the interaction of one of the most abundant and reactive flavonols, quercetin, with hydroperoxy radical (HOO·), using the M052X/6-31 + Gd, p level of theory, was performed. Results indicating that quercetin is not a planar molecule are in accord with the X-ray analysis. The applied method successfully reproduces the bond dissociation enthalpy, and reveals that the reaction of quercetin with the hydroperoxy radical is governed by a hydrogen atom transfer mechanism. It is confirmed that the 3′OH and 4′OH are the most reactive sites, and that the reaction in the 3′OH position is faster than that in the 4′OH position.     

Dark solitons in mode-locked lasers

Dark soliton formation in mode-locked lasers is investigated by means of a power-energy saturation model that incorporates gain and filtering saturated with energy, and loss saturated with power. It is found that general initial conditions evolve (mode-lock) into dark solitons under appropriate requirements also met in experimental observations. The resulting pulses are essentially dark solitons of the unperturbed nonlinear Schr?dinger equation. Notably, the same framework also describes bright pulses in anomalous and normally dispersive lasers.     

Inverse problem approaches for stationary Fourier transform spectrometers

A design of a miniaturized stationary Fourier transform IR spectrometer has been developed that produces a two-dimensional interferogram. The latter is disturbed by effects like parasitic interferences or disparities in the cutoff wavelength of the pixels. Thus, a simple Fourier transform cannot be used to estimate the spectrum of the scene. However, as these defects are deterministic, they can be measured and taken into account by inversion methods. A regularization term can also be added. The first experimental results prove the efficiency of this processing methodology.     

On q-Deformed $${{\mathfrak{gl}}_{\ell+1}}$$-Whittaker Function III

In this paper, we identify q-deformed \mathfrakgl_l+1{\mathfrak{gl}_{\ell+1}}-Whittaker functions with a specialization of the Macdonald polynomials. This provides a representation of q-deformed \mathfrakgl_l+1{\mathfrak{gl}_{\ell+1}}-Whittaker functions in terms of the Demazure characters of affine Lie algebra [^(\mathfrakgl)]_l+1{\widehat{\mathfrak{gl}}_{\ell+1}}. We also define a system of dual Hamiltonians for q-deformed \mathfrakgl_l+1{\mathfrak{gl}_{\ell+1}}-Toda chains and give a new integral representation for the q-deformed \mathfrakgl_l+1{\mathfrak{gl}_{\ell+1}}-Whittaker functions. Finally, we represent the q-deformed \mathfrakgl_l+1{\mathfrak{gl}_{\ell+1}}-Whittaker function as a matrix element of a quantum torus algebra.     

Braided differential operators on quantum algebras

We propose a general scheme of constructing braided differential algebras via algebras of “quantum exponentiated vector fields” and those of “quantum functions”. We treat a reflection equation algebra as a quantum analog of the algebra of vector fields. The role of a quantum function algebra is played by a general quantum matrix algebra. As an example we mention the so-called RTT algebra of quantized functions on the linear matrix group GL(m)$GL\left(m\right)$. In this case our construction essentially coincides with the quantum differential algebra introduced by S. Woronowicz. If the role of a quantum function algebra is played by another copy of the reflection equation algebra we get two different braided differential algebras. One of them is defined via a quantum analog of (co)adjoint vector fields, the other algebra is defined via a quantum analog of right-invariant vector fields. We show that the former algebra can be identified with a subalgebra of the latter one. Also, we show that “quantum adjoint vector fields” can be restricted to the so-called “braided orbits” which are counterparts of generic GL(m)$GL\left(m\right)$-orbits in gl^∗(m)$g{l}^{\ast }\left(m\right)$. Such braided orbits endowed with these restricted vector fields constitute a new class of braided differential algebras.     

A Three-Dimensional Landing Model

The problem of modelling the trajectory of an airplane that has begun to land and of optimally controlling the airplane until it touches the ground is considered in three dimensions. Two cost criteria are used. In the first case, the aim is to make the airplane touch the ground as close to a given target as possible, and as soon as possible. With the second cost criterion, we force the airplane to land inside a certain rectangle on the ground. In each case, the optimal control is obtained by considering the corresponding uncontrolled process.