Search results for "Computer simulation"
showing 10 items of 1054 documents
Mycotoxin Identification and In Silico Toxicity Assessment Prediction in Atlantic Salmon
2020
The present study aimed to identify mycotoxins in edible tissues of Atlantic salmon (Salmo salar) using liquid chromatography coupled to hybrid quadrupole time-of-flight mass spectrometry (LC-Q-TOF-MS). After using a non-targeted screening approach and a home-made spectral library, 233 mycotoxins were analyzed. Moreover, the occurrence of mycotoxins in fish filets was evaluated, and their potential toxicity was predicted by in silico methods. According to the obtained results, forty mycotoxins were identified in analyzed salmon samples, the predominant mycotoxins being enniatins (also rugulosin and 17 ophiobolins), commonly found in cereals and their by-products. Thus, mycotoxin carry-over …
Fragmentation Pathways of Polycyclic Polyisoprenylated Benzophenones and Degradation Profile of Nemorosone by Multiple-Stage Tandem Mass Spectrometry
2009
Nemorosone is a polycyclic polyisoprenylated benzophenone (PPBs) with strong cytotoxic activity. It is the major constituent of Clusia rosea floral resin and brown Cuban propolis. Other PPBs found in Cuban propolis are oxidized and cyclized derivatives of nemorosone. The instability of PPBs carrying an enolizable 1,3-diketone system has been suggested, and the elucidation of this aspect is very fundamental for the evaluation of their biologic activity. Electrospray ionization multistage tandem mass spectrometry (ESI-MSn) was employed to shed light on the origin of these derivatives of nemorosone and to define the stability of this natural product. For this purpose, we initially performed MS…
First-order and tricritical wetting transitions in the two-dimensional Ising model caused by interfacial pinning at a defect line
2014
We present a study of the critical behavior of the Blume-Capel model with three spin states (S=±1,0) confined between parallel walls separated by a distance L where competitive surface magnetic fields act. By properly choosing the crystal field (D), which regulates the density of nonmagnetic species (S=0), such that those impurities are excluded from the bulk (where D=) except in the middle of the sample [where DM(L/2)≠], we are able to control the presence of a defect line in the middle of the sample and study its influence on the interface between domains of different spin orientations. So essentially we study an Ising model with a defect line but, unlike previous work where defect lines …
A Space-Vector State Dynamic Model of the Synchronous Reluctance Motor Including Self and Cross-Saturation Effects and its Parameters Estimation
2018
This paper proposes a space-vector dynamic model of the Synchronous Reluctance Motor (SynRM) including both self-saturation and cross-saturation effects and selecting as state variables the stator currents. The proposed dynamic model is based on an original function between the stator flux and stator current components, and relies on 8 coefficients (fewer than other models in the scientific literature), presenting an interesting physical interpretation. Starting from this approach, both the static and dynamic inductances expressions of the model have been analytically developed, so that the reciprocity conditions for the cross saturation is satisfied. This paper presents also a technique fo…
Space-vector State Dynamic Model of the Synchronous Reluctance Motor Considering Self, Cross-Saturation and Iron Losses
2021
This paper proposes a space-vector dynamic model of the Synchronous Reluctance Motor (SynRM) including both self-saturation, cross-saturation effects, and iron losses expressed in state form, where the magnetizing current has been selected as a state variable. The proposed dynamic model is based on an original function between the stator flux and the magnetizing current components, improving a previously developed magnetic model. Additionally, the proposed model includes, besides the magnetic saturation, also iron losses. The proposed model requires 11 coefficients, among which 6 describe the self-saturation on both axes and 5 describe the cross-saturation. Starting from the definition of a…
Elasticity as a measure for online determination of remission points in ongoing epidemics.
2020
The correct identification of change-points during ongoing outbreak investigations of infectious diseases is a matter of paramount importance in epidemiology, with major implications for the management of health care resources, public health and, as the COVID-19 pandemic has shown, social live. Onsets, peaks, and inflexion points are some of them. An onset is the moment when the epidemic starts. A "peak" indicates a moment at which the incorporated values, both before and after, are lower: a maximum. The inflexion points identify moments in which the rate of growth of the incorporation of new cases changes intensity. In this study, after interpreting the concept of elasticity of a random va…
Detection of spatial disease clusters with LISA functions.
2011
Detection of disease clusters is an important tool in epidemiology that can help to identify risk factors associated with the disease and in understanding its etiology. In this article we propose a method for the detection of spatial clusters where the locations of a set of cases and a set of controls are available. The method is based on local indicators of spatial association functions (LISA functions), particularly on the development of a local version of the product density, which is a second-order characteristic of spatial point processes. The behavior of the method is evaluated and compared with Kulldorff's spatial scan statistic by means of a simulation study. It is shown that the LI…
Estimating person parameters via item response model and simple sum score in small samples with few polytomous items: A simulation study
2018
Background The Item Response Theory (IRT) is becoming increasingly popular for item analysis. Theoretical considerations and simulation studies suggest that parameter estimates will become precise only by utilizing many items in large samples. Method A simulation study focusing on a single scale was performed on data with (a) n = 40, 60, 80, 120, 200, 300, 500, and 900 cases utilizing (b) 4, 8, 16, or 32 items. The items were (c) symmetrically distributed vs. skew (skewness 0, 1, and 2). Item loadings were (d) homogeneous vs. heterogeneous. Item loadings were (e) low vs. high. Half of the items had (f) a correlated error or not. The number of answering categories (g) was four vs. five. A to…
A Log-Rank Test for Equivalence of Two Survivor Functions
1993
We consider a hypothesis testing problem in which the alternative states that the vertical distance between the underlying survivor functions nowhere exceeds some prespecified bound delta0. Under the assumption of proportional hazards, this hypothesis is shown to be (logically) equivalent to the statement [beta[log(1 + epsilon), where beta denotes the regression coefficient associated with the treatment group indicator, and epsilon is a simple strictly increasing function of delta. The testing procedure proposed consists of carrying out in terms of beta (i.e., the standard Cox likelihood estimator of beta) the uniformly most powerful level alpha test for a suitable interval hypothesis about…
Testing for homogeneity in meta-analysis I. The one-parameter case: standardized mean difference.
2010
Meta-analysis seeks to combine the results of several experiments in order to improve the accuracy of decisions. It is common to use a test for homogeneity to determine if the results of the several experiments are sufficiently similar to warrant their combination into an overall result. Cochran's Q statistic is frequently used for this homogeneity test. It is often assumed that Q follows a chi-square distribution under the null hypothesis of homogeneity, but it has long been known that this asymptotic distribution for Q is not accurate for moderate sample sizes. Here, we present an expansion for the mean of Q under the null hypothesis that is valid when the effect and the weight for each s…