Search results for "Computational Mathematic"
showing 10 items of 987 documents
Openness and staff training as antecedents of administration and management innovation: a cross-country study
2020
A firm's ability to innovate has gained continuously increasing attention among scholars and practitioners. This study aims to discuss the relationship of a firm's openness as an element of organisational culture and staff training as an element of organisational learning to its activity in introducing administration and management innovation in two countries. Data collection was conducted in Latvia and Russia. To make the research more specific, organisational innovation is broken down into two categories: innovation in management practices; and innovation in workplace organisation. The result obtained demonstrated the positive impact of staff training on innovation activities and openness…
Principal component analysis on molecular descriptors as an alternative point of view in the search of new Hsp90 inhibitors
2009
Inhibiting a protein that regulates multiple signal transduction pathways in cancer cells is an attractive goal for cancer therapy. Heat shock protein 90 (Hsp90) is one of the most promising molecular targets for such an approach. In fact, Hsp90 is a ubiquitous molecular chaperone protein that is involved in folding, activating and assembling of many key mediators of signal transduction, cellular growth, differentiation, stress-response and apoptothic pathways. With the aim to analyze which molecular descriptors have the higher importance in the binding interactions of these classes, we first performed molecular docking experiments on the 187 Hsp90 inhibitors included in the BindingDB, a pu…
Electronic fluxes during diels-alder reactions involving 1,2-benzoquinones: mechanistic insights from the analysis of electron localization function …
2012
By means of the joint use of electron localization function (ELF) and Thom's catastrophe theory, a theoretical analysis of the energy profile for the hetero-Diels-Alder reaction of 4-methoxy-1,2-benzoquinone 1 and methoxyethylene 2 has been carried out. The 12 different structural stability domains obtained by the bonding evolution theory have been identified as well as the bifurcation catastrophes (fold and cusp) responsible for the changes in the topology of the system. This analysis permits finding a relationship between the ELF topology and the evolution of the bond breaking/forming processes and electron pair rearrangements through the reaction progress in terms of the different ways o…
Indefinite integrals involving Jacobi polynomials from integrating factors
2020
A method was presented recently for deriving integrals of special functions using two kinds of integrating factor for the homogeneous second-order linear differential equations which many special f...
Indefinite integrals of special functions from hybrid equations
2019
Elementary linear first and second order differential equations can always be constructed for twice differentiable functions by explicitly including the function's derivatives in the definition of ...
Indefinite integrals of Lommel functions from an inhomogeneous Euler–Lagrange method
2015
ABSTRACTA method given recently for deriving indefinite integrals of special functions which satisfy homogeneous second-order linear differential equations has been extended to include functions which obey inhomogeneous equations. The extended method has been applied to derive indefinite integrals for the Lommel functions, which obey an inhomogeneous Bessel equation. The method allows integrals to be derived for the inhomogeneous equation in a manner which closely parallels the homogeneous case, and a number of new Lommel integrals are derived which have well-known Bessel analogues. Results will be presented separately for other special functions which obey inhomogeneous second-order linear…
A generalized integration formula for indefinite integrals of special functions
2020
An integration formula for generating indefinite integrals which was presented in Conway JT [A Lagrangian method for deriving new indefinite integrals of special functions. Integral Transforms Spec...
A third integrating factor for indefinite integrals of special functions
2020
An integrating factor f ~ x is presented involving the terms in y ′ ′ x and q x y x of the general homogenous second-order linear ordinary differential equation. The new integrating factors obey se...
Introducing randomness in the analysis of chemical reactions: An analysis based on random differential equations and probability density functions
2021
[EN] In this work we consider a particular randomized kinetic model for reaction-deactivation of hydrogen peroxide decomposition. We apply the Random Variable Transformation technique to obtain the first probability density function of the solution stochastic process under general conditions. From the rst probability density function, we can obtain fundamental statistical information, such as the mean and the variance of the solution, at every instant time. The transformation considered in the application of the Random Variable Transformation technique is not unique. Then, the first probability density function can take different expressions, although essentially equivalent in terms of comp…
Generalized finite difference schemes with higher order Whitney forms
2021
Finite difference kind of schemes are popular in approximating wave propagation problems in finite dimensional spaces. While Yee’s original paper on the finite difference method is already from the sixties, mathematically there still remains questions which are not yet satisfactorily covered. In this paper, we address two issues of this kind. Firstly, in the literature Yee’s scheme is constructed separately for each particular type of wave problem. Here, we explicitly generalize the Yee scheme to a class of wave problems that covers at large physics field theories. For this we introduce Yee’s scheme for all problems of a class characterised on a Minkowski manifold by (i) a pair of first ord…