Search results for "Derivative"
showing 10 items of 1074 documents
Third-order accurate monotone cubic Hermite interpolants
2019
Abstract Monotonicity-preserving interpolants are used in several applications as engineering or computer aided design. In last years some new techniques have been developed. In particular, in Arandiga (2013) some new methods to design monotone cubic Hermite interpolants for uniform and non-uniform grids are presented and analyzed. They consist on calculating the derivative values introducing the weighted harmonic mean and a non-linear variation. With these changes, the methods obtained are third-order accurate, except in extreme situations. In this paper, a new general mean is used and a third-order interpolant for all cases is gained. We perform several experiments comparing the known tec…
A nonlinear algorithm for monotone piecewise bicubic interpolation
2016
We present an algorithm for monotone interpolation on a rectangular mesh.We use the sufficient conditions for monotonicity of Carlton and Fritsch.We use nonlinear techniques to approximate the partial derivatives at the grid points.We develop piecewise bicubic Hermite interpolants with these approximations.We present some numerical examples where we compare different results. In this paper we present an algorithm for monotone interpolation of monotone data on a rectangular mesh by piecewise bicubic functions. Carlton and Fritsch (1985) develop conditions on the Hermite derivatives that are sufficient for such a function to be monotone. Here we extend our results of Arandiga (2013) to obtain…
Analytic evaluation of the dipole Hessian matrix in coupled-cluster theory
2013
The general theory required for the calculation of analytic third energy derivatives at the coupled-cluster level of theory is presented and connected to preceding special formulations for hyperpolarizabilities and polarizability gradients. Based on our theory, we have implemented a scheme for calculating the dipole Hessian matrix in a fully analytical manner within the coupled-cluster singles and doubles approximation. The dipole Hessian matrix is the second geometrical derivative of the dipole moment and thus a third derivative of the energy. It plays a crucial role in IR spectroscopy when taking into account anharmonic effects and is also essential for computing vibrational corrections t…
Detailed study of the X-ray and optical/UV orbital ephemeris of X1822-371
2011
Recent studies of the optical/UV and X-ray ephemerides of X1822-371 have found some discrepancies in the value of the orbital period derivative. Because of the importance of this value in constraining the system evolution, we comprehensively analyse all the available optical/UV/X eclipse times of this source to investigate the origin of these discrepancies. We collected all previously published X-ray eclipse times from 1977 to 2008, to which we added the eclipse time observed by Suzaku in 2006. This point is very important to cover the time gap between the last RXTE eclipse time (taken in 2003) and the most recent Chandra eclipse time (taken in 2008). Similarly we collected the optical/UV e…
Astrophysical constraints on extended gravity models
2015
We investigate the propagation of gravitational waves in the context of fourth order gravity nonminimally coupled to a massive scalar field. Using the damping of the orbital period of coalescing stellar binary systems, we impose constraints on the free parameters of extended gravity models. In particular, we find that the variation of the orbital period is a function of three mass scales which depend on the free parameters of the model under consideration; we can constrain these mass scales from current observational data.
General invertible transformation and physical degrees of freedom
2017
An invertible field transformation is such that the old field variables correspond one-to-one to the new variables. As such, one may think that two systems that are related by an invertible transformation are physically equivalent. However, if the transformation depends on field derivatives, the equivalence between the two systems is nontrivial due to the appearance of higher derivative terms in the equations of motion. To address this problem, we prove the following theorem on the relation between an invertible transformation and Euler-Lagrange equations: If the field transformation is invertible, then any solution of the original set of Euler-Lagrange equations is mapped to a solution of …
Electrochemical formation of N,N′-diarylhydrazines by dehydrogenative N–N homocoupling reaction
2020
Hydrazines represent a class of compounds of high interest due to their applicability as versatile starting materials in many important transformations. Herein, we report a synthetic approach to hydrazine derivatives using commercially available anilines and an anodic dehydrogenative N-N coupling reaction as the key step.
Titanium complexes for the formation of nitrogen compounds : synthesis of homoallylamines and amidines
2011
Homoallylic amines are key reagents for the formation of a large number of biologically interesting products. Due to the double bond of their allylic moiety, easily functionalisable, they are commonly used in organic synthesis. This research work deals with the synthesis of homoallylic amines thanks to titanium complexes. In fact, the reductive coupling between of imines and dienes promoted by titanium allows the formation of diastereoisomeric homoallylamines syn and anti. The diastereoselectivity of the reaction is directly affected by the nitrogen substituent. Whether it is benzyl or phenyl, the selectivity will be in favour of syn or anti respectively. Moreover, the addition of a the Lew…
Arylpyridines, arylpyrimidines and related compounds as potential modulator agents of the VEGF, hTERT and c-Myc oncogenes.
2019
Twenty-four derivatives structurally related to honokiol have been synthesized and biologically evaluated. IC50 values were determined towards the HT-29, MCF-7 and HEK-293 cell lines. Some of these derivatives exhibited comparable or lower IC50 values than honokiol towards the HT-29 and MCF-7 cell lines or else higher selectivity indexes than the natural product. Twelve selected derivatives were evaluated for their ability to inhibit the expression of the VEGFA, hTERT and c-Myc genes and also to inhibit the production of total c-Myc protein and the secretion of the VEGF protein. One of the most promising compounds, 3-(2,4-dimethoxyphenyl)pyridine, may be a good candidate for further studies…
FLUCTUATION-INDUCED LOCAL OSCILLATIONS AND FRACTAL PATTERNS IN THE LATTICE LIMIT CYCLE MODEL
2003
The fractal properties of the Lattice Limit Cycle model are explored when the process is realized on a 2-dimensional square lattice support via Monte Carlo Simulations. It is shown that the structure of the steady state presents inhomogeneous fluctuations in the form of domains of identical particles. The various domains compete with one another via their borders which have self-similar, fractal structure. The fractality is more prominent, (fractal dimensions df < 2), when the parameter values are near the critical point where the Hopf bifurcation occurs. As the distance from the Hopf bifurcation increases in the parameter space the system becomes more homogeneous and the fractal dimens…