Indole-Based Tubulin Inhibitors: Binding Modes and SARs Investigations

Tubulin inhibitors can interfere with normal cell mitosis and inhibit cell proliferation through interfering with the normal structure and function of microtubules, forming spindle filaments. Indole, as a privileged pharmacological skeleton, has been widely used in anti-cancer inhibitors. A variety of alkaloids containing an indole core obtained from natural sources have been proven to inhibit tubulin polymerization, and an ever-increasing number of synthetic indole-based tubulin inhibitors have been reported. Among these, several kinds of indole-based derivatives, such as TMP analogues, aroylindoles, arylthioindoles, fused indole, carbazoles, azacarbolines, alkaloid nortopsentin analogues and bis-indole derivatives, have shown good inhibition activities towards tubulin polymerization. The binding modes and SARs investigations of synthetic indole derivatives, along with a brief mechanism on their anti-tubulin activity, are presented in this review.     

Discrete solitons in nonlinear Schrödinger lattices with a power-law nonlinearity

We study the discrete nonlinear Schrödinger lattice model with the onsite nonlinearity of the general form, |u|^2σu. We systematically verify the conditions for the existence and stability of discrete solitons in the one-dimensional version of the model predicted by means of the variational approximation (VA), and demonstrate the following: monostability of fundamental solitons (FSs) in the case of the weak nonlinearity, 2σ+1<3.68; bistability, in a finite range of values of the soliton’s power, for 3.68<2σ+1<5; and the presence of a threshold (minimum norm of the FS), for 2σ+1≥5. We also perform systematic numerical simulations to study higher-order solitons in the same general model, i.e., bound states of the FSs. While all in-phase bound states are unstable, stability regions are identified for antisymmetric double solitons and their triple counterparts. These numerical findings are supplemented by an analytical treatment of the stability problem, which allows quantitively accurate predictions for the stability features of such multipulses. When these waveforms are found to be unstable, we show, by means of direct simulations, that they self-trap into a persistent lattice breather, or relax into a stable FS, or sometimes decay completely.     

Acoustic topology optimization of sound power using mapped acoustic radiation modes

An efficient approach for acoustic topology optimization to minimize the radiated sound power from a vibrating structure is described. The topology optimization is implemented by modifying the local stiffness at discrete locations on the surface of the structure. The radiated sound power level from the structure is directly chosen as the objective function to be minimized. A sensitivity analysis is then implemented to further optimize the layout of the locations of the modified local stiffness. To speed up the computational process, the radiated sound power is computed based on mapped acoustic radiation modes. To demonstrate the acoustic topology optimization using mapped acoustic radiation modes, the radiated sound power of a compressor housing is examined. Based on results from the numerical model, the local stiffness of a compressor housing was experimentally modified. Good agreement in sound power reduction obtained both numerically and experimentally was observed for the overall trend for the sound power levels as a function of one-third octave frequency bands.     

Two 2D Metal‐organic Networks Based on a Rigid Imidazolate/Sulfonate Functionalized Ligand – Effect of the Coordination Modes of the Ligand on Crystal Structures

A rigid imidazolate/sulfonate functionalized ligand, 6‐(4‐sulfonatopheny)imidazo[4, 5‐f]isoindole‐5, 7‐dione (SPID) was designed and used for assembling reactions with Mn²⁺ and Cu²⁺ ions. Two 2D frameworks compounds, [Mn(H_‐1SPID)₂(DMAC)₂] ( 1 ) and [Cu(H_‐2SPID)(H₂O)₂] · 0.7DMAC · 0.3H₂O ( 2 ) (DMAC = N,N‐dimethylacetamide) were obtained. Single crystal X‐ray analyses show that 1 has a 2D (4, 4)‐net based on 4‐connected Mn²⁺ nodes and μ₂‐coordinated H_‐1SPID spacers, whereas compound 2 has a 2D (6, 3)‐net built of 3‐connected Cu²⁺ nodes and μ₃‐coordinated H_‐2SPID spacers. Additionally, the thermal behavior of 1 and 2 is presented.     

Atom waveguide and 1D optical lattice using a two-color evanescent light field around an optical micro/nano-fiber

We propose a two-color scheme of atom waveguides and one-dimensional （1D） optical lattices using evanescent wave fields of different transverse modes around an optical micro/nano-fiber. The atom guide potential can be produced when the optical fiber carries a red-detuned light with TE01 mode and a blue-detuned light with HEll mode, and the 1D optical lattice potential can be produced when the red-detuned light is transformed to the superposition of the TE01 mode and HE11 mode. The two trapping potentials can be transformed to each other for accurately controlling mode transformation for the red-detuned light. This might provide a new approach to realize flexible transition between the guiding and trapping states of atoms.     

Propagation of light in(2+1)-dimensional nonlinear optical media with spatially inhomogeneous nonlinearities

The(2 1)-dimensional nonlinear Schr(o)dinger(NLS)equation with spatially inhomogeneous nonlinearities is investigated,which describes propagation of light in(2 1)-dimensional nonlinear optical media with inhomogeneous nonlinearities.New types of optical modes and nonlinear effects in optical media are presented numerically.The results reveal that the regular split of beam can be obtained in (2 1)-dimensional nonlinear optical media with inhomogeneous nonlinearities,by adjusting the guiding parameter.Furthermore,the stability of beam regular split is discussed numerically,and the results reveal that the beam regular split is stable to the finite initial perturbations.     

Study on Planar Whispering Gallery Dielectric Resonators. I. General Properties

Several basic properties of homogeneous planar Whispering Gallery dielectric resonators are investigated through a general approach. In particular the values for the minimum and maximum allowed radius, defined by irradiation and dielectric losses, respectively, are obtained in terms of the complex dielectric constant of the involved media. The same approach is employed in the analysis of the limit allowed frequencies of a fixed family of mode, leading to the definition of the ideal frequency band. The role of the transverse mode is then discussed, and the effective frequency band is introduced and determined both in simple disc and circular ring resonators. The extension of the effective band is limited at least by a factor 3, in terms of decades, in comparison to the extension of the ideal one; this limitation, due to the presence of transverse modes, can be overcome using suitable designed nonhomogeneous resonators, as discussed in a following companion paper.     

Entanglement of Resonantly Coupled Field Modes in Cavities with Vibrating Boundaries

We study time dependence of various measures of entanglement (covariance entanglement coefficient, purity entanglement coefficient, normalized distance coefficient, entropy coefficients) between resonantly coupled modes of the electromagnetic field in ideal cavities with oscillating boundaries. Two types of cavities are considered — a three-dimensional cavity possessing eigenfrequencies ₃ = 3₁, whose wall oscillates at the frequency _w = 2₁, and a one-dimensional (Fabry–Perot) cavity with an equidistant spectrum _n = n₁ where the distance between perfect mirrors oscillates at the frequencies ₁ and 2₁. The behavior of entanglement measures in these cases turns out to be completely different, although all three coefficients demonstrate qualitatively similar time dependences in each case (except some specific situations where the covariance entanglement coefficient based on traces of covariance submatrices seems to be essentially more sensitive to entanglement than other measures, which are based on determinants of covariance submatrices). Different initial states of the field, namely, vacuum, squeezed vacuum, thermal, Fock, and even/odd coherent states, are considered.     

Algebraic domain decomposition solver for linear elasticity

We generalize the overlapping Schwarz domain decomposition method to problems of linear elasticity. The convergence rate independent of the mesh size, coarse-space size, Korn's constant and essential boundary conditions is proved here. Abstract convergence bounds developed here can be used for an analysis of the method applied to singular perturbations of other elliptic problems.     

Coherent potential approximation for a disordered diatomic linear chain having diagonal and off-diagonal randomness

A coherent potential approximation (cpa) for a mixed diatomic linear chain including both mass and force constant changes has been developed. In this case an impurity atom substituted at a particular site in one of the sublattices couples with two nearest neighbour atoms in the other sublattices. The diatomic linear chain is therefore considered as a tetratomic linear chain, the size of the unit cell being twice the original. Thecpa density of states and the dielectric susceptibility have been calculated. The numerical values of the later have been calculated in theata (averaget-matrix approximation) limit. Comparison of these results with the experimental and other computer calculations show a qualitative agreement.