Search results for " and mathematics"
showing 10 items of 593 documents
ON THE CALCULATION OF THE HEAT CAPACITY IN PATH INTEGRAL MONTE CARLO SIMULATIONS
1992
In Path Integral Monte Carlo simulations the systems partition function is mapped to an equivalent classical one at the expense of a temperature-dependent Hamiltonian with an additional imaginary time dimension. As a consequence the standard relation linking the heat capacity Cv to the energy fluctuations, <E2>−<E>2, which is useful in standard classical problems with temperature-independent Hamiltonian, becomes invalid. Instead, it gets replaced by the general relation [Formula: see text] for the intensive heat capacity estimator; β being the inverse temperature and the subscript P indicates the P-fold discretization in the imaginary time direction. This heatcapacity estimator…
Interactions of amino acids with aluminum octacarboxyphthalocyanine hydroxide. Experimental and DFT studies
2017
The influence of albumin and amino acids (l-serine, glycine, l-histidine, l-tryptophan, l-cysteine) on the properties of aluminum octacarboxyphthalocyanine hydroxide (Al(OH)PcOC) was investigated in a phosphate buffer (pH 8.0). Particular attention was paid to the spectroscopic properties and photostability of Al(OH)PcOC. The effect of albumin or amino acids on the photodegradation of Al(OH)PcOC was examined in water using red light: 685 nm and daylight irradiation. Analysis of kinetic curves indicated that interaction with those molecules increases the photostability of Al(OH)PcOC. The molecular structure of Al(OH)PcOC complexes (in vacuum and in water) with axially or equatorially coordin…
A computational model of postprandial adipose tissue lipid metabolism derived using human arteriovenous stable isotope tracer data
2019
Given the association of disturbances in non-esterified fatty acid (NEFA) metabolism with the development of Type 2 Diabetes and Non-Alcoholic Fatty Liver Disease, computational models of glucose-insulin dynamics have been extended to account for the interplay with NEFA. In this study, we use arteriovenous measurement across the subcutaneous adipose tissue during a mixed meal challenge test to evaluate the performance and underlying assumptions of three existing models of adipose tissue metabolism and construct a new, refined model of adipose tissue metabolism. Our model introduces new terms, explicitly accounting for the conversion of glucose to glyceraldehye-3-phosphate, the postprandial …
Arithmetical Analysis of Biomolecular Finite Automaton
2013
In the paper we present a theoretical analysis of extension of the finite automaton built on DNA (introduced by the Shapiro team) to an arbitrary number of states and symbols. In the implementation we use a new idea of several restriction enzymes instead of one. We give arithmetical conditions for the existence of such extensions in terms of ingredients used in the implementation.
Forcing for First-Order Languages from the Perspective of Rasiowa–Sikorski Lemma
2017
The paper is concerned with the problem of building models for first-order languages from the perspective of the classic paper of Rasiowa and Sikorski [9]. The central idea, developed in this paper, consists in constructing first-order models from individual variables. The key notion of a Rasiowa–Sikorski set of formulas for an arbitrary countable language L is examined. Each Rasiowa–Sikorski set defines a countable model for L . Conversely, every countable model for L is determined by a Rasiowa–Sikorski set. The focus is on constructing Rasiowa–Sikorski sets by applying forcing techniques restricted to Boolean algebras arising from the subsets of the set of atomic formulas of L .
TWO-DIMENSIONAL FINITE STATE RECOGNIZABILITY
1996
The purpose of this paper is to investigate about a new notion of finite state recognizability for two-dimensional (picture) languages. This notion takes as starting point the characterization of one-dimensional recognizable languages in terms of local languages and projections. Such notion can be extended in a natural way to the two-dimensional case. We first introduce a notion of local picture language and then we define,a recognizable picture language as a projection of a local picture language. The family of recognizable picture languages is denoted by REC. We study some combinatorial and language-theoretic properties of family REC. In particular we prove some closure properties with re…
A Survey on Nature-Inspired Medical Image Analysis: A Step Further in Biomedical Data Integration
2019
Natural phenomena and mechanisms have always intrigued humans, inspiring the design of effective solutions for real-world problems. Indeed, fascinating processes occur in nature, giving rise to an ever-increasing scientific interest. In everyday life, the amount of heterogeneous biomedical data is increasing more and more thanks to the advances in image acquisition modalities and high-throughput technologies. The automated analysis of these large-scale datasets creates new compelling challenges for data-driven and model-based computational methods. The application of intelligent algorithms, which mimic natural phenomena, is emerging as an effective paradigm for tackling complex problems, by…
Stubborn sets, frozen actions, and fair testing
2021
Many partial order methods use some special condition for ensuring that the analysis is not terminated prematurely. In the case of stubborn set methods for safety properties, implementation of the condition is usually based on recognizing the terminal strong components of the reduced state space and, if necessary, expanding the stubborn sets used in their roots. In an earlier study it was pointed out that if the system may execute a cycle consisting of only invisible actions and that cycle is concurrent with the rest of the system in a non-obvious way, then the method may be fooled to construct all states of the full parallel composition. This problem is solved in this study by a method tha…
FORMAL CONCEPTION OF ROUGH SETS
1996
In the paper we present a formal description of rough sets within the framework of the generalized set theory, which is interpreted in the set approximation theory. The rough sets are interpreted as approximations, which are defined by means of the Pawlak's rough sets.
Structure-Function Relationship of Substituted Bromomethylcoumarins in Nucleoside Specificity of RNA Alkylation
2013
Selective alkylation of RNA nucleotides is an important field of RNA biochemistry, e.g. in applications of fluorescent labeling or in structural probing experiments, yet detailed structure-function studies of labeling agents are rare. Here, bromomethylcoumarins as reactive compounds for fluorescent labeling of RNA are developed as an attractive scaffold on which electronic properties can be modulated by varying the substituents. Six different 4-bromomethyl-coumarins of various substitution patterns were tested for nucleotide specificity of RNA alkylation using tRNA from Escherichia coli as substrate. Using semi-quantitative LC-MS/MS analysis, reactions at mildly acidic and slightly alkaline…