Search results for " set"
showing 10 items of 2095 documents
PLS-NIR determination of total sugar, glucose, fructose and sucrose in aqueous solutions of fruit juices
1997
Abstract An analytical procedure has been developed for the direct determination of sugars in fruit juice samples. The method is based on the partial least-squares (PLS) treatment of first derivative near infrared (NIR) spectroscopic data obtained between 1200 and 2450 nm, using 1 mm pathlength cell and a multicomponent calibration set, including seven binary mixtures and 10 ternary mixtures of glucose, fructose and sucrose. The limit of detection values found are of the order of 0.2 g/100 ml for total sugar and 0.2, 0.4 and 0.5 g/100 ml for glucose, fructose and sucrose, respectively. Relative standard deviation values obtained vary from 0.4% to 2.3% for six independent measurements of ind…
Theoretical study on hydration of two particular diazanaphthalenes
2005
Abstract Cinnoline (1) and Phthalazine (2), diazanaphthalenes involved in certain biological reactions, have been studied computational with the purpose of comparing their protonation and covalent hydration mechanisms. Geometry optimizations of neutral, mono- and di-protonated cations and hydrated products were performed at HF, DFT/B3LYP levels of theory using 6-311G* basis set and single points energies were calculated at the MP2 level of theory using the same basis set. In agreement with experimental results, calculations predict a two-step mechanism resulting in a hydrated cation in which the OH of the water is located depending on the position of both nitrogen in the diazanaphthalene mo…
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…
Complex ecological models with simple dynamics: From individuals to populations
1994
The aim of this work is to study complex ecological models exhibiting simple dynamics. We consider large scale systems which can be decomposed into weakly coupled subsystems. Perturbation Theory is used in order to get a reduced set of differential equations governing slow time varying global variables. As examples, we study the influence of the individual behaviour of animals in competition and predator-prey models. The animals are assumed to do many activities all day long such as searching for food of different types. The degree of competition as well as the predation pressure are dependent upon these activities. Preys are more vulnerable when doing some activities during which they are …
Advances in automated diffraction tomography
2009
Crystal structure solution by means of electron diffraction or investigation of special structural features needs high quality data acquisition followed by data processing which delivers cell parameters, space group and in the end a 3D data set. The final step is the structure analysis itself including structure solution and subsequent refinement.
Self-similar focusing with generalized devil's lenses
2011
[EN] We introduce the generalized devil's lenses (GDLs) as a new family of diffractive kinoform lenses whose structure is based on the generalized Cantor set. The focusing properties of different members of this family are analyzed. It is shown that under plane wave illumination the GDLs give a single main focus surrounded by many subsidiary foci. It is shown that the total number of subsidiary foci is higher than the number of foci corresponding to conventional devil's lenses; however, the self-similar behavior of the axial irradiance is preserved to some extent. (C) 2011 Optical Society of America
Towards automated diffraction tomography. Part II--Cell parameter determination.
2008
Automated diffraction tomography (ADT) allows the collection of three-dimensional (3d) diffraction data sets from crystals down to a size of only few nanometres. Imaging is done in STEM mode, and diffraction data are collected with quasi-parallel beam nanoelectron diffraction (NED). Here, we present a set of developed processing steps necessary for automatic unit-cell parameter determination from the collected 3d diffraction data. Cell parameter determination is done via extraction of peak positions from a recorded data set (called the data reduction path) followed by subsequent cluster analysis of difference vectors. The procedure of lattice parameter determination is presented in detail f…
Hard single diffraction in p̄p collisions at s=630 and 1800 GeV
2002
Using the D empty set detector, we have studied events produced in (p) over barp collisions that contain large forward regions with very little energy deposition ("rapidity gaps") and concurrent jet production at center-of-mass energies of roots = 630 and 1800 GeV. The fraction of events with forward or central jets associated with rapidity gaps is compared to predictions for hard diffraction. We also extract the momentum loss for scattered protons in such processes. (C) 2002 Elsevier Science B.V. All rights reserved.
Undergraduate experiment with fractal diffraction gratings
2011
We present a simple diffraction experiment with fractal gratings based on the triadic Cantor set. Diffraction by fractals is proposed as a motivating strategy for students of optics in the potential applications of optical processing. Fraunhofer diffraction patterns are obtained using standard equipment present in most undergraduate physics laboratories and compared with those obtained with conventional periodic gratings. It is shown that fractal gratings produce self-similar diffraction patterns which can be evaluated analytically. Good agreement is obtained between experimental and numerical results. © 2011 IOP Publishing Ltd.
Towards automated diffraction tomography: Part I—Data acquisition
2007
Abstract The ultimate aim of electron diffraction data collection for structure analysis is to sample the reciprocal space as accurately as possible to obtain a high-quality data set for crystal structure determination. Besides a more precise lattice parameter determination, fine sampling is expected to deliver superior data on reflection intensities, which is crucial for subsequent structure analysis. Traditionally, three-dimensional (3D) diffraction data are collected by manually tilting a crystal around a selected crystallographic axis and recording a set of diffraction patterns (a tilt series) at various crystallographic zones. In a second step, diffraction data from these zones are com…