typically, two configurations are used for energy harvesting, with different advantages: piezoelastic and piezomagnetoelastic. best performance of piezoelastic configuration is limited to its narrow bandwidth around the resonance frequency. if the excitation frequency slightly deviates from the resonance frequency, the power-out is severely reduced. to overcome this, the piezomagnetoelastic has...

In this study, two new salicylideneaniline derivative compounds which are an isomer of each other have been synthesized and characterized by X-Ray Diffraction (XRD) technique, IR spectroscopy, and theoretical method. While (E)-4-(dihydroxyamino)-2-(((4-fluorophenyl)imino) methyl)phenol (1), crystalizes triclinic P-1 space group, (E)-4-(dihydroxyamino)-2-(((3-fluorophenyl)im...

In the title compound, C(6)H(16)N(+)·C(15)H(13)N(2)O(2)S(2) (-), the thione S atom is in a cis configuration with respect to the phenyl and benzene rings, while it adopts a trans configuration with respect to the carbonyl group. The dihedral angle between the benzene and phenyl rings is 78.81 (2)°. The mol-ecular conformation is stabilized by intra-molecular O-H⋯O and N-H⋯S hydrogen bonds, whil...

Trajectoryor mesh-based methods for analyzing the dynamical behavior of large molecules tend to be impractical due to the curse of dimensionality their computational cost increases exponentially with the size of the molecule. We propose a method to break the curse by a novel square root approximation of transition rates, Monte Carlo quadrature and a discretization approach based on solving line...

The configuration of graphene nano-ribbon (GNR) assembly on carbon nanotube (CNT) and sphere is studied through theoretical modeling and molecular simulation. The GNR can spontaneously wind onto the CNT due to van der Waals (vdW) interaction and form two basic configurations: helix and scroll. The final configuration arises from the competition among three energy terms: the bending energy of th...

In this Review we show several mathematical techniques that can be used in molecular calculations using Slater orbitals, like the transformation of the Hamiltonian, derivatives of spherical harmonics with respect to the angles, and angular transformations. We treat several kinds of integrals in detail: the exchange, Coulomb and hybrid repulsion and exchange correlated integrals, and the three-c...

We developed the first Monte-Carlo code for threedimensional self-consistent continuum radiative transfer calculations. The density structure of the dust configuration (disk/envelope/molecular cloud core) can be chosen arbitrarily as well as the number, configuration, and radiation parameters of the stars inside this configuration. Binaries and multiple stellar systems (with or without disks ar...

Background: It has been expected that AS1411 aptamer could work against the cancer cells. Although the general information is available, there is still lack of details for the purpose. Therefore, activity of AS1411 aptamer against the nucleolin (NCL) target of cancer cells has been investigated in current work at the molecular scale. In addition, the same features have been also investigated fo...

crime is the product of an interaction between the person and the setting. understanding crime has been the focus of researchers in both design and social fields for a few decades. the empirical research within the design field on the issue of crime has mainly focused on site-specific and situational features of a place. in the past decade, a considerable body of design research begun to devote...