An objective reconstruction of the chain of contagion

North's clustering method, which is based on a much used ecological model, the nearest neighbor distance, was applied to the objective reconstruction of the chain of household-to-household transmission of variola minor (the mild form of smallpox). The discrete within-household outbreaks were considered as points which were ordered in a time sequence using a 10-40 day interval between introduction of the disease into a source household and a receptor household. The closer points in the plane were assumed to have a larger probability of being links of a chain of household-to-household spread of the disease. The five defining distances (Manhattan or city-block distance between presumptive source and receptor dwellings) were 100, 200, 300, 400 and 500 m. The subchain sets obtained with the five defining distances were compared with the subchains empirically reconstructed during the field study of the epidemic through direct investigation of personal contacts of the introductory cases with either introductory or subsequent cases from previously affected households. The criteria of fit of theoretical to empirical clusters were: (a) the number of clustered dwellings and subchains, (b) number of dwellings in a subchain and (c) position of dwellings in a subchain. The defining distance closet to the empirical findings was 200 m, which fully agrees with the travelling habits of the study population. Less close but acceptable approximations were obtained with 100, 300, 400 and 500 m. The latter two distances gave identical results, as if a clustering ceiling had been reached. It seems that North's clustering model may be used for an objective reconstruction of the chain of contagious whose links are discrete within-household outbreaks. © 1984.

Theoretical investigation of the electronic structure and absorption spectra of carbon cluster nanotubes

Electronic and optical properties of recently discovered single-shell carbon cluster nanotubes are studied through a semiempirical INDOCI method. The calculations are performed within the cluster model and include up to 196 atoms. The trend of the forbidden band gap with the number of carbon atoms (Cn n = 60, 10, 140) for a fixed diameter is analyzed. With increasing n the band gap decreases, as expected. The tubule, with diameter of 7.2Å (as C60-Buckyball) is predicted to be a metal or a narrow-gap semiconductor. The calculated absorption spectra of the clusters show a characteristic strong peak around 40,000 cm-1. Other features of the calculated UV-visible absorption spectra are discussed. © 1994.

Theoretical Dynamics of Experimental Populations of Introduced and Native Blowflies (Diptera: Calliphoridae)

Equilibrium dynamics in experimental populations of Chrysomya megacephala (F.) and C. putoria (Wiedemann), which have recently invaded the Americas, and the native species Cochliomyia macellaria (F.), were investigated using nonlinear difference equations. A theoretical analysis of the mathematical model using bifurcation theory established the combination of demographic parameters responsible for producing shifts in blowfly population dynamics from stable equilibria to bounded cycles and aperiodic behavior. Mathematical modeling shows that the populations of the 2 introduced Chrysomya species will form stable oscillations with numbers fluctuating 3-4 times in successive generations. However, in the native species C. macellaria, the dynamics is characterized by damping oscillations in population size, leading to a stable population level.

Theoretical approaches to forensic entomology: II. Mathematical model of larval development

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

A theoretical study of the A2 ∑+-X2∏ system of the SiP molecule

The A2∑+ and Z2∏ electronic states of the SiP species have been investigated theoretically at a very high level of correlation treatment (CASSCF/MRSDCI). Very accurate potential energy curves are presented for both states, as well as the associated spectroscopic constants as derived from the vib-rotational energy levels determined by means of the numerical solution of the radial Schrödinger equation. Electronic transition moment function, oscillator strengths, Einstein coefficients for spontaneous emission, and Franck-Condon factors for the A2∑+-X2∏ system have been calculated. Dipole moment functions and radiative lifetimes for both states have also been determined. Spin-orbit coupling constants are also reported. The radiative lifetimes for the A2∑+ state, taking into account the spin-orbit diagonal correction to the X2∏ state, decrease from a value of 138 ms at v′ = 0 to 0.48 ms at v′ = 8, and, for the X2∏ state, from 2.32 s at v″ = 1 to 0.59 s at v″ = 5. Vibrational and rotational transitions are expected to be relatively strong.

A theoretical and experimental analysis of cold-formed steel shapes subjected to bending - Channel and simple lipped channel

Cold-formed steel shapes have been widely employed in steel construction, where they frequently offer a lower cost solution than do traditional laminated shapes. A classic application of cold-formed steel shapes is purlins in the roof panel of industrial buildings, connected to the roof panel by means of screws. The combined effect of these two elements has been the subject of investigations in some countries. Design criteria were included in the AISI Code in 1991 and 1996. This paper presents and discusses the results obtained from bending tests carried out on shapes commonly used in Brazil, i.e., the channel and the simple lipped channel, Tests were carried out on double shapes with 4.5 and 6.0 meter spans, which were subjected to concentrated loads and braced against each other on the supports and at intermediary points in three different load situations. The panel shape was also analyzed experimentally, simulating the action of wind by means of a vacuum box designed specifically for this purpose. The test results were then compared to those obtained through the theoretical analysis, enabling us to extract important information upon which to base proposed design criteria for the new Brazilian code.

A joint theoretical and kinetic investigation on the fragmentation of (N-halo)-2-amino cycloalkanecarboxylates

A combined theoretical and experimental study to elucidate the molecular mechanism for the Grob fragmentation of different (N-halo)-2-amino cyclocarboxylates with the nitrogen atom in exocyclic position: (N-Cl)-2-amino cyclopropanecarboxylate (1), (N-Cl)-2-amino cyclobutanecarboxylate (2), (N-Cl)-2-amino cyclopentanecarboxylate (3) and (N-Cl)-2-amino cyclohexanecarboxylate (4), and the corresponding acyclic compounds, (N-Cl)-2-amino isobutyric acid (A), (N-Cl)-2-amino butyric acid (B), has been carried out. The kinetics of decomposition for these compounds and related bromine derivatives were experimentally determined by conventional and stopped-flow UV spectrophotometry. The reaction products have been analyzed by GC and spectrophotometry. Theoretical analysis is based in the localization of stationary points (reactants and transition structures) on the potential energy surface. Calculations were carried out at B3LYP/6-31+G* and MP2/6-31+G* computing methods in the gas phase, while solvent effects have been included by means the self-consistent reaction field theory, PCM continuum model, at MP2/6-31+G* and MP4/6-31+G*//MP2/6-31+G* calculation levels. Based on both experimental and theoretical results, the different Grob fragmentation processes show a global synchronicity index close to 0.9, corresponding to a nearly concerted process. At the TSs, the N-Cl bond breaking is more advanced than the C-C cleavage process. An antiperiplanar configuration of these bonds is reached at the TSs, and this geometrical arrangement is the key factor governing the decomposition. In the case of 1 and 2 the ring strain prevents this spatial disposition, leading to a larger value of the activation barrier. Natural population analysis shows that the polarization of the N-Cl and C-C bonds along the bond-breaking process can be considered the driving force for the decomposition and that a negative charge flows from the carboxylate group to the chlorine atom to assist the reaction pathway. A comparison of theoretical and experimental results shows the relevance of calculation level and the inclusion of solvent effects for determining accurate unimolecular rate coefficients for the decomposition process. © 2002 Published by Elsevier Science B.V.

Contracted GTF basis sets applied to the theoretical interpretation of the Raman spectrum of hexaaquachromium(III) ion

Contracted GTF basis sets designed with aid of the Generator Coordinate Hartree-Fock (GCHF) method for H(2S), O2-(1S), and Cr3+(4F) atomic species are applied to perform theoretical interpretation of the Raman spectrum of hexaaquachromium(III) ion. The 16s, 16s 10p, and 24s17p13d GTF basis sets were contracted to [4s] for H atom, [6s4p], and [9s6p3d] for O2- and Cr3+, respectively, by Dunning's scheme. For Cr3+, the [9s6p3d] basis set was enriched with f polarization function and used in combination com [4s] and [6s4p] in the study of our interest. The results obtained in this report show that the contracted GTF basis sets used are a useful alternative for the theoretical interpretation of Raman spectrum of hexaaquachromium(III) ion and that GCHF method is an effective alternative to selection of GTF basis sets for theoretical study of vibrational properties of poliatomic species. © 2003 Elsevier Science B.V. All rights reserved.

A new procedure to derive transmission line parameters: Theoretical considerations

The objective of this paper is to show an alternative methodology to calculate transmission line parameters per unit length. With this methodology the transmission line parameters can be obtained starting from the phase currents and voltages in one terminal of the line. First, the article shows the classical methodology to calculate frequency dependent transmission line parameters by using Carson's and Pollaczeck's equations for representing the ground effect and Bessel's functions to represent the skin effect. After that, it is shown a new procedure to calculate frequency dependent transmission line parameters directly from currents and voltages of the line that is already built. Then, this procedure is applied in a two-phase transmission line whose parameters have been previously calculated by using the classical methodology. Finally, the results obtained by using the new procedure and by using the classical methodology are compared. ©2005 IEEE.

Fiberglass-reinforced glulam beams: Mechanical properties and theoretical model

The glued-laminated lumber (glulam) technique is an efficient process for making rational use of wood. Fiber-Reinforced Polymers (FRPs) associated with glulam beams provide significant gains in terms of strength and stiffness, and also alter the mode of rupture of these structural elements. In this context, this paper presents a theoretical model for designing reinforced glulam beams. The model allows for the calculation of the bending moment, the hypothetical distribution of linear strains along the height of the beam, and considers the wood has a linear elastic fragile behavior in tension parallel to the fibers and bilinear in compression parallel to the fibers, initially elastic and subsequently inelastic, with a negative decline in the stress-strain diagram. The stiffness was calculated by the transformed section method. Twelve non-reinforced and fiberglass reinforced glulam beams were evaluated experimentally to validate the proposed theoretical model. The results obtained indicate good congruence between the experimental and theoretical values.

A procedure to estimate parameters of a line segment taking into account its representation through π circuits: Theoretical development

The objective of this paper is to show an alternative methodology to estimate per unit length parameters of a line segment of a transmission line. With this methodology the line segment parameters can be obtained starting from the phase currents and voltages in receiving and sending end of the line segment. If the line segment is represented as being one or more π circuits whose frequency dependent parameters are considered lumped, its impedance and admittance can be easily expressed as functions of the currents and voltages at the sending and receiving end. Because we are supposing that voltages and currents at the sending and receiving end of the line segment (in frequency domain) are known, it is possible to obtains its impedance and admittance and consequently its per unit length longitudinal and transversal parameters. The procedure will be applied to estimate the longitudinal and transversal parameters of a small segment of a single-phase line that is already built. © 2006 IEEE.

Theoretical model and experimental analysis of glulam beam reinforced with FRP

This work present a study of glulam beams reinforced with FRP. It was developed a theoretical model that calculates strength and stiffness of the beams. The model allows for the calculation of the bending moment, the hypothetical distribution of linear strains along the height of the beam, and considers the wood has a linear elastic fragile behavior in tension parallel to the fibers and bilinear in compression parallel to the fibers, initially elastic and subsequently inelastic, with a negative decline in the stress-strain diagram. The stiffness was calculated by the transformed section method. Twelve non-reinforced and fiberglass reinforced glulam beams were evaluated experimentally to validate the proposed theoretical model. The results obtained indicate good congruence between the experimental and theoretical values.

Study of the phenomena of fatigue using the finite element method

About 99% of mechanical failures are consequence of the phenomena of fatigue, which consists on the progressive weakening of the resistant section of a mechanical component due to the growing of cracks caused by fluctuating loadings. A broad diversity of factors influences the fatigue life of a mechanical component, like the surface finishing, scale factors, among others, but none is as significantly as the presence of geometric severities. Stress concentrators are places where fatigue cracks have a greater probability to occur, and so on, the intuit of this work is to develop a consistent and trustfully methodology to determine the theoretical stress concentration factor of mechanical components. Copyright © 2007 SAE International.

The importance of citizen awareness in controlling air pollution in metropolitan areas of Latin America: the theoretical framework

Includes bibliography

Theoretical and experimental evaluation of the influence of the length of drill rods in the SPT-T test

The influence of soil drill rod length on the N value in the SPT-T test has been studied extensively by Mello (1971), Schmertmann & Palacios (1979), Odebrecht et al. (2002) and Cavalcante (2002). This paper presents an analysis of the Standard Penetration Test supplemented with torque measurement (SPT-T). A theoretical study of the resistance of the rod material to torsion and bending indicated that the shear stress caused by the rod self-weight represents less than 1% of that caused by the torsional moment. An experimental study with electric torquemeters attached to a horizontal rod system, as well as two field tests in the vertical direction, were also carried out to compare and substantiate the results. The purpose of these tests was to analyze changes along the length of the rod in response to successive increments at 1-meter intervals. Torque measurements were taken at each increment of the length to ascertain the accuracy of the theoretical data. The difference between the applied torque and the measured torque at the end of rod system was lower than the minimum scale of mechanical torquemeters used in practice.