Selective Reagent Ion Mass Spectrometric Investigations of the Nitroanilines

This paper presents an investigation of proton and charge transfer reactions to 2-, 3- and 4-nitroanilines (C6H6N2O2) involving the reagent ions H3O+·(H2O)n (n=0, 1 and 2) and O2+, respectively, as a function of reduced electric field (60-240 Td), using Selective Reagent Ion-Time-of-Flight-Mass Spectrometry (SRI-ToF-MS). To aid in the interpretation of the H3O+·(H2O)n experimental data, the proton affinities and gas-phase basicities for the three nitroaniline isomers have been determined using density functional theory. These calculations show that proton transfer from both the H3O+ and H3O+·H2O reagent ions to the nitroanilines will be exoergic and hence efficient, with the reactions proceeding at the collisional rate. For proton transfer from H3O+ to the NO2 sites, the exoergicities are 171 kJ mol-1 (1.8 eV), 147 kJ mol-1 (1.5 eV) and 194 kJ mol-1 (2.0 eV) for 2-, 3- and 4-nitroanilines, respectively. Electron transfer from all three of the nitroanilines is also significantly exothermic by approximately 4 eV. Although a substantial transfer of energy occurs during the ion/molecule reactions, the processes are found to predominantly proceed via non-dissociative pathways over a large reduced electric field range. Only at relatively high reduced electric fields (>180 Td) is dissociative proton and charge transfer observed. Differences in fragment product ions and their intensities provide a means to distinguish the isomers, with proton transfer distinguishing 2-nitroaniline (2-NA) from 3- and 4-NA, and charge transfer distinguishing 4-NA from 2- and 3-NA, thereby providing a means to enhance selectivity using SRI-ToF-MS.(VLID)4826158Version of recor

Magnetic-dipole spin effects in noncommutative quantum mechanics

A general three-dimensional noncommutative quantum mechanical system mixing spatial and spin degrees of freedom is proposed. The analogous of the harmonic oscillator in this description contains a magnetic dipole interaction and the ground state is explicitly computed and we show that it is infinitely degenerated and implying a spontaneous symmetry breaking. The model can be straightforwardly extended to many particles and the main above properties are retained. Possible applications to the Bose-Einstein condensation with dipole-dipole interactions are briefly discussed.Instituto de Física La Plat

The influence of heavy goods vehicle traffic on accidents on different types of Spanish interurban roads

This paper illustrates a methodology developed to analyze the influence of traffic conditions, i.e. volume and composition on accidents on different types of interurban roads in Spain, by applying negative binomial models. The annual average daily traffic was identified as the most important variable, followed by the percentage of heavy goods vehicles, and different covariate patterns were found for each road type. The analysis of hypothetical scenarios of the reduction of heavy goods vehicles in two of the most representative freight transportation corridors, combined with hypotheses of total daily traffic mean intensity variation, produced by the existence or absence of induced traffic gives rise to several scenarios. In all cases a reduction in the total number of accidents would occur as a result of the drop in the number of heavy goods transport vehicles, However the higher traffic intensity, resulting of the induction of other vehicular traffic, reduces the effects on the number of accidents on single carriageway road segments compared with high capacity roads, due to the increase in exposure. This type of analysis provides objective elements for evaluating policies that encourage modal shifts and road safety enhancements

On the algebraic structure of rotationally invariant two-dimensional Hamiltonians on the noncommutative phase space

We study two-dimensional Hamiltonians in phase space with noncommutativity both in coordinates and momenta. We consider the generator of rotations on the noncommutative plane and the Lie algebra generated by Hermitian rotationally invariant quadratic forms of noncommutative dynamical variables. We show that two quantum phases are possible, characterized by the Lie algebras sl (2, ℝ) or su(2) according to the relation between the noncommutativity parameters, with the rotation generator related with the Casimir operator. From this algebraic perspective, we analyze the spectrum of some simple models with nonrelativistic rotationally invariant Hamiltonians in this noncommutative phase space, such as the isotropic harmonic oscillator, the Landau problem and the cylindrical well potential.Instituto de Física La Plat

On the algebraic structure of rotationally invariant two-dimensional Hamiltonians on the noncommutative phase space

We study two-dimensional Hamiltonians in phase space with noncommutativity both in coordinates and momenta. We consider the generator of rotations on the noncommutative plane and the Lie algebra generated by Hermitian rotationally invariant quadratic forms of noncommutative dynamical variables. We show that two quantum phases are possible, characterized by the Lie algebras sl (2, ℝ) or su(2) according to the relation between the noncommutativity parameters, with the rotation generator related with the Casimir operator. From this algebraic perspective, we analyze the spectrum of some simple models with nonrelativistic rotationally invariant Hamiltonians in this noncommutative phase space, such as the isotropic harmonic oscillator, the Landau problem and the cylindrical well potential.Instituto de Física La Plat

Applications of Direct Injection Soft Chemical Ionisation-Mass Spectrometry for the Detection of Pre-blast Smokeless Powder Organic Additives

Analysis of smokeless powders is of interest from forensics and security perspectives. This article reports the detection of smokeless powder organic additives (in their pre-detonation condition), namely the stabiliser diphenylamine and its derivatives 2-nitrodiphenylamine and 4-nitrodiphenylamine, and the additives (used both as stabilisers and plasticisers) methyl centralite and ethyl centralite, by means of swab sampling followed by thermal desorption and direct injection soft chemical ionisation-mass spectrometry. Investigations on the product ions resulting from the reactions of the reagent ions H3O+ and O2+ with additives as a function of reduced electric field are reported. The method was comprehensively evaluated in terms of linearity, sensitivity and precision. For H3O+, the limits of detection (LoD) are in the range of 41-88 pg of additive, for which the accuracy varied between 1.5 and 3.2%, precision varied between 3.7 and 7.3% and linearity showed R20.9991. For O2+, LoD are in the range of 72 to 1.4 ng, with an accuracy of between 2.8 and 4.9% and a precision between 4.5 and 8.6% and R20.9914. The validated methodology was applied to the analysis of commercial pre-blast gun powders from different manufacturers.(VLID)4826148Accepted versio

La Basílica de Pátzcuaro en Pátzcuaro, México: su innovador sistema estructural en la fachada y cubierta

La basílica de Pátzcuaro es el único vestigio del magno proyecto catedralicio que en el S. XVI concibiera Vasco de Quiroga para la diócesis de Michoacán, es en el último tercio de este siglo que la estructura material de la ex catedral y como producto de solicitaciones sísmicas que se dan a través de tres siglos, el edificio presenta modificaciones en su estructura, presentándose las finales en el S. XIX. La vulnerabilidad sísmica obedece a una obra de fábrica de considerable luz, las intervenciones realizadas en el periodo comprendido de 1850 y 1872, básicamente en la fachada y cubierta, muestran la aplicación de los conocimientos de la época, la singularidad de la cubierta de la basílica, consiste en ser el primer edificio histórico que presenta apoyos discontinuos entre la estructura de madera y la corona del muro, interacción que le otorga un comportamiento elástico resultando en un factor de amortiguamiento ante solicitaciones sísmicas. Una singularidad lo constituye la interacción entre la estructura de madera y el mecanismo de apoyo en la corona del muro como una adecuación de la viga de Winkler.5.- Patrimonios Urbano, Rural, Industrial y Religioso. Cementerios Patrimoniales. Técnicas de Evaluación, Limpieza, Reparación y Conservación. Intervenciones en construcciones con patologías estructurales y aplicación de refuerzos

Magnetic-dipole spin effects in noncommutative quantum mechanics

A general three-dimensional noncommutative quantum mechanical system mixing spatial and spin degrees of freedom is proposed. The analogous of the harmonic oscillator in this description contains a magnetic dipole interaction and the ground state is explicitly computed and we show that it is infinitely degenerated and implying a spontaneous symmetry breaking. The model can be straightforwardly extended to many particles and the main above properties are retained. Possible applications to the Bose-Einstein condensation with dipole-dipole interactions are briefly discussed.Instituto de Física La Plat

The influence of binarity on dust obscuration events in the planetary nebula M 2-29 and its analogues

The central star of the planetary nebula (CSPN) M 2-29 shows an extraordinary R Coronae Borealis-like fading event in its optical lightcurve. The only other CSPN to show these events are CPD-568032 (Hen 3-1333) and V651 Mon (NGC 2346). Dust cloud formation in the line of sight appears responsible but the exact triggering mechanism is not well understood. Understanding how planetary nebulae (PNe) trigger dust obscuration events may help understand the same process in a wide range of objects including Population-I WC9 stars, symbiotic stars and perhaps Asymptotic Giant Branch (AGB) stars with long secondary periods (LSPs). A binary scenario involving an eccentric, wide companion that triggers dust formation via interaction at periastron is a potential explanation that has been suggested for LSP variables. Model fits to the lightcurves of CPD-568032 and M 2-29 show the dust forms in excess of 70 AU at the inner edge of a dust disk. In the case of CPD-568032 this radius is far too large to coincide with a binary companion trigger, although a binary may have been responsible for the formation of the dust disk. We find no direct evidence to support previous claims of binarity in M 2-29 either from the OGLE lightcurve or deep medium-resolution VLT FLAMES spectroscopy of the CSPN. We classify the CSPN as Of(H) with T_eff=50+-10 kK and log g=4.0+-0.3. We find a mean distance of 7.4+-1.8 kpc to M 2-29 at which the M_V=-0.9 mag CSPN could potentially hide a subgiant luminosity or fainter companion. A companion would help explain the multiple similarities with D'-type symbiotic stars whose outer nebulae are thought to be bona-fide PNe. The 7.4 kpc distance, oxygen abundance of 8.3 dex and Galactic coordinates (l=4.0, b=-3.0) prove that M 2-29 is a Galactic Bulge PN and not a Halo PN as commonly misconceived.Comment: 15 pages, 14 figures, 7 tables. Accepted for publication in A\&