Bias in modal parameters due to aliasing in the time domain

This paper deals with some aliasing effects in the time domain that can lead to unacceptable misestimations of modal parameters. When a frequency response function of a vibrating system is sampled and inverse Fourier transformed, the resulting impulse response is given by an infinite geometric series, the single term of which is the impulse response itself shifted in time. For this reason, some modal parameters, if estimated in the time domain, are biased; in particular, while the damping factor and the natural frequency are not influenced by the aliasing phenomenon, the magnitude and phase of the residue can be highly biased. Corrective terms are theoretically evaluated and their efficiency is shown in numerical simulations.

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Sommario In questo articolo e' presentato un metodo per correggere gli errori che si compiono nella stima di alcuni parametri modali, quando essi vengono ricavati nel dominio del tempo. Infatti se la funzione di risposta in frequenza e' ottenuta con eccitazioni particolari—quali ad esempio lo pseudo-random, lo stepped-sine a passo costante o lo sweep in frequenza-la risposta impulsiva, ottenuta per mezzo dell'antitrasformata discreta di Fourier, risulta periodica, con periodo pari all'inverso della spaziatura tra le righe spettrali. Cio' comporta un errore nella stima dell'ampiezza e della fase del residuo, mentre nessuna conseguenza si ha sulla frequenza naturale e sul fattore di smorzamento. L'errore sulle stime risulta tanto piu' grande, quanto meno smorzata e' la risposta impulsiva all'interno dell'intervallo di osservazione.Partendo dall'inviluppo e dalla fase istantanea dei segnali complessi, ottenibili per mezzo della trasformata di Hilbert, si sono ricavati i termini correttivi sia per il modulo, che per la fase del residuo. La validita' delle correzioni e' mostrata con esempi numerici.

     

Fibrazioni di una classe di near-field regolari di dimensionet+1 sul nucleo

Il contenuto di questo lavoro consiste nel mostrare che le fibrazioni dei near-field regolari di dimensionet+1 sul nucleo , quando , si ottengono da fibrazioni regolari con una operazione di scambio fra alcuni sistemi di matrici, che generalizza il procedimento di sostituzione di regoli con regoli opposti di quadriche rigate nel caso di dimensione due sul nucleo.     

Optoacoustic Laser Stark spectroscopy and FIR laser action on CH3Br using a waveguide CO2 laser

The optoacoustic spectrum of CH₃Br around 10 m band lines of a tunable cw waveguide CO₂ laser is investigated. Several new infrared absorptions are observed and most of the correspond ing molecular transitions are assigned. Far infra red laser action is reported by pumping with the same CO₂ laser: pump offsets are given using the Transferred Lambs dip (TLD) technique. A new FIR laser emission is obtained and assigned. An optoacoustic Laser Stark spectroscopy technique is used to investigate off resonance infrared tran sitions.     

Analysis of the Temperature and Composition Dependence of Viscosimetric Properties of 2-Butanone <Emphasis Type="Bold">+</Emphasis> 2-Butanol Solvent Mixtures

Kinematic viscosities were measured for 2-butanone + 2-butanol binary liquid mixtures with a capillary Ubbelohde routine viscometer in the temperature range from 273.15 to 353.15 K at atmospheric pressure, and covering the whole miscibility field (0x_i1). Experimental data have been correlated by means of different empirical or semiempirical relationships, such as =(T), =(x_i), and =(T, x_i). Viscosity deviations, , from ideal behavior are negative at all experimental conditions, confirming that structure breaking effects prevail in the liquids. Furthermore, the thermodynamics of viscous flow and excess Gibbs energy of activation of viscous flow, G*^E, have been calculated. As an alternative and complementary approach to such investigations, the fluidity () of this binary system has been analyzed by the modified—Batschinski theory. The results are discussed in terms of the specific molecular interactions between the mixture components.     

Crystal and molecular structure and magnetic exchange properties of bis(di-micro-ethoxo-bis(3,5-di-tert-butylsemiquinonato)dicopper(II)) complex. A synergy between DFT and experimental magnetochemistry

The compound bis(di-micro-ethoxo-bis(3,5-di-tert-butylsemiquinonato)dicopper(II)) has been synthesized and its structure was determined by single-crystal X-ray diffraction. The compound crystallizes in the monoclinic system, space group C2/c, with a = 37.736(8) A, b = 9.173(2) A, c = 23.270(5) A, beta = 122.24(3) degrees. The structure can be described as a Lewis adduct between two dinuclear [Cu(DBSQ)(C(2)H(5)O)](2) units (DBSQ = 3,5-di-tert-butyl-semiquinonato). The temperature dependence of the magnetic susceptibility was efficiently analyzed by a combined DFT/experimental approach, showing that a rather strong ferromagnetic interaction exists between the DBSQ(-) and the copper(II) ions modulated by an antiferromagnetic interaction between the two copper(II) ions of the dinuclear units. Weak antiferromagnetism between the two units in the unit cell was measured.     

Theoretical analysis of residual dipolar coupling patterns in regular secondary structures of proteins

A new approach to the interpretation of residual dipolar couplings for the regular secondary structures of proteins is presented. This paper deals with the analysis of the steric and chiral requirements of protein secondary structures and establishes a quantitative correlation between structure periodicity and the experimental values of the backbone residual dipolar couplings. Building on the recent interpretation of the periodicity of residual dipolar couplings in alpha-helices (i.e., "dipolar waves"), a general parametric equation for fitting the residual dipolar couplings of any regular secondary structure is derived. This equation interprets the modulation of the residual dipolar couplings' periodicity in terms of the secondary structure orientation with respect to an arbitrary reference frame, laying the groundwork for using backbone residual dipolar couplings as a fast tool for determining protein folding by NMR spectroscopy.     

A diatropic ring current in a fluorofullerene trannulene

Ipsocentric current-density maps for a fluorofullerene derivative, C60F15H3, modelling the addition pattern of the experimentally characterised C60F15[CBr(CO2Et)2]3 which contains an [18]trans-annulene system, reveal a diamagnetic ring current dominated by the contribution of the four HOMO electrons, as in a classical (4n + 2) aromatic annulene.     

Different Pathways in the Base-Promoted Isomerization of Benzyl Oxiranyl Ethers

The base-promoted isomerization of benzyl oxiranyl ethers was investigated. In particular it was shown that the reaction may proceed toward two main regioisomeric products: a benzyl vinyl ether or a 2-aryl-3-(hydroxyalkyl)oxetane, depending on subtle variations in the substitution on the phenyl ring. Disubstituted oxetanes were obtained in a stereoselective manner, thus providing a good entry to this class of synthetically useful compounds.     

Spot overlapping in two-dimensional polyacrylamide gel electrophoresis separations: a statistical study of complex protein maps

A statistical approach able to extract the information contained in a two-dimenisional polyacrylamide gel electrophoresis (2-D PAGE) separation is here reported. The method is based on the quantitative theory of peak overlapping, a procedure previously developed by the authors and here extended to 2-D separations. The whole map is divided into many strips in order to obtain 1-D separations on which the statistic procedure is applied: the developed algorithms, on the basis of spot experimental data (intensity and spatial coordinates) permit to estimate the intrinsic number of components and to single out the specific order present in spot positions. The procedure was validated on computer-simulated maps. Its applicability to real samples was tested on maps obtained from literature sources. The following important information on protein mixtures can be extracted: (i) the number of proteins can be accurately estimated, on the basis of the spatial coordinates and intensities of spots detected in the 2-D PAGE map; (ii) the model describing distribution of interdistance between adjacent spots can be identified in both the separation dimensions; (iii) the presence of repeated interdistances in spot positions in the maps can be easily singled out: these regularities suggest specific protein modifications.     

Novel heteroaromatic-based multi-branched dyes with enhanced two-photon absorption activity

The first examples of heterocycle-based multi-branched dyes with efficient two-photon absorption (TPA) activity are reported; the novel chromophores exhibit large TPA cross sections (as high as 1600 x 10(-50) cm4 s photon(-1) molecule(-1), measured with 150 fs laser pulses at 800 nm); a strong cooperative enhancement in the branched systems with respect to the one-dimensional sub-units is found.