Gagliardo-Nirenberg Inequalities for Spaces with Dominating Mixed Derivatives

2017 ◽  
pp. 117-135
Author(s):  
Dorothee D. Haroske ◽  
Hans-Jürgen Schmeisser
Keyword(s):  
Mixed Derivatives

Higher-Order and Mixed Discrete Derivatives such as a Novel Graph- Theoretical Invariant for Generating New Molecular Descriptors

2019 ◽  
Vol 19 (11) ◽  
pp. 944-956 ◽  
Author(s):  
Oscar Martínez-Santiago ◽  
Yovani Marrero-Ponce ◽  
Ricardo Vivas-Reyes ◽  
Mauricio E.O. Ugarriza ◽  
Elízabeth Hurtado-Rodríguez ◽  
...  
Keyword(s):  
Molecular Descriptors ◽  
3D Qsar ◽  
Higher Order ◽  
Molecular Structures ◽  
Qsar Modeling ◽  
Statistical Parameters ◽  
Molecular Graphs ◽  
New Family ◽  
Mixed Derivatives ◽  
Discrete Derivative

Background: Recently, some authors have defined new molecular descriptors (MDs) based on the use of the Graph Discrete Derivative, known as Graph Derivative Indices (GDI). This new approach about discrete derivatives over various elements from a graph takes as outset the formation of subgraphs. Previously, these definitions were extended into the chemical context (N-tuples) and interpreted in structural/physicalchemical terms as well as applied into the description of several endpoints, with good results. Objective: A generalization of GDIs using the definitions of Higher Order and Mixed Derivative for molecular graphs is proposed as a generalization of the previous works, allowing the generation of a new family of MDs. Methods: An extension of the previously defined GDIs is presented, and for this purpose, the concept of Higher Order Derivatives and Mixed Derivatives is introduced. These novel approaches to obtaining MDs based on the concepts of discrete derivatives (finite difference) of the molecular graphs use the elements of the hypermatrices conceived from 12 different ways (12 events) of fragmenting the molecular structures. The result of applying the higher order and mixed GDIs over any molecular structure allows finding Local Vertex Invariants (LOVIs) for atom-pairs, for atoms-pairs-pairs and so on. All new families of GDIs are implemented in a computational software denominated DIVATI (acronym for Discrete DeriVAtive Type Indices), a module of KeysFinder Framework in TOMOCOMD-CARDD system. Results: QSAR modeling of the biological activity (Log 1/K) of 31 steroids reveals that the GDIs obtained using the higher order and mixed GDIs approaches yield slightly higher performance compared to previously reported approaches based on the duplex, triplex and quadruplex matrix. In fact, the statistical parameters for models obtained with the higher-order and mixed GDI method are superior to those reported in the literature by using other 0-3D QSAR methods. Conclusion: It can be suggested that the higher-order and mixed GDIs, appear as a promissory tool in QSAR/QSPRs, similarity/dissimilarity analysis and virtual screening studies.

scholarly journals Bounds and algorithms for the -Bessel function of imaginary order

2013 ◽  
Vol 16 ◽  
pp. 78-108 ◽  
Author(s):  
Andrew R. Booker ◽  
Andreas Strömbergsson ◽  
Holger Then
Keyword(s):  
Bessel Function ◽  
Convergent Series ◽  
Steepest Descent ◽  
Modified Bessel Function ◽  
Software Library ◽  
Asymptotic Bounds ◽  
Mixed Derivatives ◽  
Rigorous Computation ◽  
Working Out ◽  
Precise Asymptotic

AbstractUsing the paths of steepest descent, we prove precise bounds with numerical implied constants for the modified Bessel function${K}_{ir} (x)$of imaginary order and its first two derivatives with respect to the order. We also prove precise asymptotic bounds on more general (mixed) derivatives without working out numerical implied constants. Moreover, we present an absolutely and rapidly convergent series for the computation of${K}_{ir} (x)$and its derivatives, as well as a formula based on Fourier interpolation for computing with many values of$r$. Finally, we have implemented a subset of these features in a software library for fast and rigorous computation of${K}_{ir} (x)$.

The Method of Finite Differences in Solutions Concerning Circular Plate

2011 ◽  
Vol 490 ◽  
pp. 305-311
Author(s):  
Henryk G. Sabiniak
Keyword(s):  
Circular Plate ◽  
Finite Differences ◽  
Machine Building ◽  
Polar Coordinates ◽  
Circular Plates ◽  
Technical Problems ◽  
Theory Of Plates ◽  
Worm Gearing ◽  
Mixed Derivatives ◽  
Plate Deflection

Finite difference method in solving classic problems in theory of plates is considered a standard one [1], [2], [3], [4]. The above refers mainly to solutions in right-angle coordinates. For circular plates, for which the use of polar coordinates is the best option, the question of classic plate deflection gets complicated. In accordance with mathematical rules the passage from partial differentials to final differences seems firm. Still final formulas both for the equation (1), as well as for border conditions of circular plate obtained in this study and in the study [3] differ considerably. The paper describes in detail necessary mathematical calculations. The final results are presented in identical form as in the study [3]. Difference of results as well as the length of arm in passage from partial differentials to finite differences for mixed derivatives are discussed. Generalizations resulting from these discussions are presented. This preliminary proceeding has the purpose of searching for solutions to technical problems in machine building and construction, in particular finding a solution to the question of distribution of load along contact line in worm gearing.

scholarly journals Hexagonal Grid Computation of the Derivatives of the Solution to the Heat Equation by Using Fourth-Order Accurate Two-Stage Implicit Methods

2021 ◽  
Vol 5 (4) ◽  
pp. 203
Author(s):  
Suzan Cival Buranay ◽  
Nouman Arshad ◽  
Ahmed Hersi Matan
Keyword(s):  
Heat Equation ◽  
Fourth Order ◽  
Boundary Value ◽  
Time Variable ◽  
Implicit Methods ◽  
First Order ◽  
Mixed Derivatives ◽  
Hexagonal Grids ◽  
Spatial Derivatives ◽  
Derivatives Of

We give fourth-order accurate implicit methods for the computation of the first-order spatial derivatives and second-order mixed derivatives involving the time derivative of the solution of first type boundary value problem of two dimensional heat equation. The methods are constructed based on two stages: At the first stage of the methods, the solution and its derivative with respect to time variable are approximated by using the implicit scheme in Buranay and Arshad in 2020. Therefore, Oh4+τ of convergence on constructed hexagonal grids is obtained that the step sizes in the space variables x1, x2 and in time variable are indicated by h, 32h and τ, respectively. Special difference boundary value problems on hexagonal grids are constructed at the second stages to approximate the first order spatial derivatives and the second order mixed derivatives of the solution. Further, Oh4+τ order of uniform convergence of these schemes are shown for r=ωτh2≥116,ω>0. Additionally, the methods are applied on two sample problems.

A Note on a Comparison Result for Elliptic Equations

1977 ◽  
Vol 29 (5) ◽  
pp. 1081-1085 ◽  
Author(s):  
W. Allegretto
Keyword(s):  
Bounded Domain ◽  
Positive Solutions ◽  
Comparison Theorem ◽  
Elliptic Equations ◽  
Comparison Result ◽  
Mixed Derivatives ◽  
Image Position ◽  
Derivatives Of

In a recent paper [2], Bushard established and applied a comparison theorem for positive solutions to the equation:in an arbitrary bounded domain D of Euclidean w-space Rn. The proof of these results depended on the absence of mixed derivatives of u in the equation considered.

Nonlinear impulsive Langevin equation with mixed derivatives

2019 ◽  
Vol 43 (1) ◽  
pp. 427-442 ◽  
Author(s):  
Rizwan Rizwan ◽  
Akbar Zada
Keyword(s):  
Langevin Equation ◽  
Mixed Derivatives
Sign in / Sign up

Export Citation Format

Share Document