Electron-Nuclear Correlation in Laser-Driven Diatomic Molecules

The interaction of short intense laser pulses with atoms/molecules produces a multitude of highly nonlinear processes requiring a non-perturbative treatment. Detailed study of these highly nonlinear processes by numerically solving the time-dependent Schrodinger equation becomes a daunting task when the number of degrees of freedom is large. Also the coupling between the electronic and nuclear degrees of freedom further aggravates the computational problems. In the present work we show that the time-dependent Hartree (TDH) approximation, which neglects the correlation effects, gives unreliable description of the system dynamics both in the absence and presence of an external field. A theoretical framework is required that treats the electrons and nuclei on equal footing and fully quantum mechanically. To address this issue we discuss two approaches, namely the multicomponent density functional theory (MCDFT) and the multiconfiguration time-dependent Hartree (MCTDH) method, that go beyond the TDH approximation and describe the correlated electron-nuclear dynamics accurately. In the MCDFT framework, where the time-dependent electronic and nuclear densities are the basic variables, we discuss an algorithm to calculate the exact Kohn-Sham (KS) potentials for small model systems. By simulating the photodissociation process in a model hydrogen molecular ion, we show that the exact KS potentials contain all the many-body effects and give an insight into the system dynamics. In the MCTDH approach, the wave function is expanded as a sum of products of single-particle functions (SPFs). The MCTDH method is able to describe the electron-nuclear correlation effects as the SPFs and the expansion coefficients evolve in time and give an accurate description of the system dynamics. We show that the MCTDH method is suitable to study a variety of processes such as the fragmentation of molecules, high-order harmonic generation, the two-center interference effect, and the lochfrass effect. We discuss these phenomena in a model hydrogen molecular ion and a model hydrogen molecule. Inclusion of absorbing boundaries in the mean-field approximation and its consequences are discussed using the model hydrogen molecular ion. To this end, two types of calculations are considered: (i) a variational approach with a complex absorbing potential included in the full many-particle Hamiltonian and (ii) an approach in the spirit of time-dependent density functional theory (TDDFT), including complex absorbing potentials in the single-particle equations. It is elucidated that for small grids the TDDFT approach is superior to the variational approach.

Terapias no farmacológicas en el manejo del dolor en neonatos pretérmino. revisión sistemática de la literatura

Antecedentes El dolor en neonatos ha sido un problema poco explorado. Se ha propuesto el uso de las terapias no farmacológicas para su tratamiento, sin embargo existen pocas aproximaciones sistemáticas para la evaluación de su eficacia. Objetivos Determinar la eficacia de las terapias no farmacológicas en el manejo del dolor en neonatos pretérmino a través de una revisión sistemática. Metodología Se realizó una revisión sistemática de la literatura para evaluar la eficacia de las terapias no farmacológicas en el manejo del dolor en el recién nacido petérmino. La búsqueda se realizó a través de las bases de datos Embase, Cochrane, Bireme y Embase. Se identificaron estudios publicados inglés y español. Se realizó un análisis cualitativo y cuantitativo. Resultados Se incluyeron 10 ensayos clínicos. La solución de sacarosa administrada por vía oral mostró reducir la intensidad del dolor en el recién nacido. La intubación y toma de muestras facilitada por el cuidador mostró también reducir la intensidad del dolor. Conclusión Se recomienda la administración solución de sacarosa y acompañamiento del cuidador durante los procedimientos como medidas para reducir el dolor en el recién nacido pretérmino.

Herniorrafia inguinal por laparoscopia, experiencia en hospital universitario mayor de febrero 2013 a febrero 2014

Los defectos herniarios inguinales son una condición con alta prevalencia en nuestra población. En los últimos años la introducción de la cirugía laparoscopia para la corrección de esta patología ha tomado fuerza gradualmente. El propósito del presente trabajo es describir la experiencia en el uso de esta técnica quirúrgica en una institución hospitalaria. Materiales y métodos: estudio descriptivo de corte trasversal en el cual se revisaron las historias clínica de cada uno de los sujetos llevados a herniorrafia inguinal laparoscópica, donde se evaluaron las características pre y postoperatorias de los casos, así como las complicaciones derivadas del procedimiento. Resultados: Se evaluaron un total de 250 pacientes para un total de 334 Herniorrafias. El promedio de edad fue 58,3 años. La relación hombre mujer fue 3,7: 1. Del total de procedimientos 168 correspondieron a defectos bilaterales. 32 pacientes tenían antecedentes de herniorrafia previa. Se presentaron un total de tres complicaciones. El promedio general de tiempo quirúrgico fue de 69,3 minutos. El seguimiento post operatorio evidencio al dolor inguinal agudo como el principal proceso patológico derivado. El promedio de tiempo de incapacidad en total fue 8,3 días. Se encontró reproducción de la hernia comprobado por ecografía en 10 pacientes. No se produjo ninguna mortalidad en los pacientes del estudio. Conclusiones: La corrección laparoscopia se ha convertido en una alternativa segura y eficiente en el tratamiento definitivo de los defectos herniarios inguinales y debe ser tenida en cuenta en el momento de seleccionar la vía de acceso.

Impacto do excesso de peso sobre a fisiologia normal da pele humana in vivo

A obesidade é um problema de saúde pública com prevalência crescente, nomeadamente em Portugal, onde mais de 50% da população é obesa. As consequências fisiopatológicas do peso excessivo têm grande impacto a nível cutâneo. Contudo, existem ainda poucos estudos sobre a fisiologia cutânea, não existindo qualquer estratificação destas alterações em função do peso corporal. O presente estudo pretende contribuir para o estudo das alterações ao nível da hidratação e comportamento biomecânico com o aumento de peso. Este estudo transversal foi efetuado numa amostra de conveniência de 57 voluntárias, do sexo feminino, com idades compreendidas entre os 20 e os 46 (30±8) anos. As voluntárias foram divididas em dois grupos - Grupo I, com IMC entre 19,9 e 24,9 Kg/m2 e Grupo II, entre 25 e 29,9 Kg/m2. Foi efetuada uma única determinação da hidratação superficial, perda transepidérmica de água e comportamento biomecânico da pele (métodos não-invasivos). Os dados obtidos permitem-nos verificar que o aumento de peso influencia positivamente os níveis de hidratação e perda transepidérmica de água e de forma negativa o comportamento biomecânico da pele. Apesar do interesse destes resultados torna-se necessário realizar mais estudos, com maior número de indivíduos, de forma a melhor esclarecer a sua natureza e significado.

Terrestrial carnivores and human food production: impact and management

1. The production of food for human consumption has led to an historical and global conflict with terrestrial carnivores, which in turn has resulted in the extinction or extirpation of many species, although some have benefited. At present, carnivores affect food production by: (i) killing human producers; killing and/or eating (ii) fish/shellfish; (iii) game/wildfowl; (iv) livestock; (v) damaging crops; (vi) transmitting diseases; and (vii) through trophic interactions with other species in agricultural landscapes. Conversely, carnivores can themselves be a source of dietary protein (bushmeat). 2. Globally, the major areas of conflict are predation on livestock and the transmission of rabies. At a broad scale, livestock predation is a customary problem where predators are present and has been quantified for a broad range of carnivore species, although the veracity of these estimates is equivocal. Typically, but not always, losses are small relative to the numbers held, but can be a significant proportion of total livestock mortality. Losses experienced by producers are often highly variable, indicating that factors such as husbandry practices and predator behaviour may significantly affect the relative vulnerability of properties in the wider landscape. Within livestock herds, juvenile animals are particularly vulnerable. 3. Proactive and reactive culling are widely practised as a means to limit predation on livestock and game. Historic changes in species' distributions and abundance illustrate that culling programmes can be very effective at reducing predator density, although such substantive impacts are generally considered undesirable for native predators. However, despite their prevalence, the effectiveness, efficiency and the benefit:cost ratio of culling programmes have been poorly studied. 4. A wide range of non-lethal methods to limit predation has been studied. However, many of these have their practical limitations and are unlikely to be widely applicable. 5. Lethal approaches are likely to dominate the management of terrestrial carnivores for the foreseeable future, but animal welfare considerations are increasingly likely to influence management strategies. The adoption of non-lethal approaches will depend upon proof of their effectiveness and the willingness of stakeholders to implement them, and, in some cases, appropriate licensing and legislation. 6. Overall, it is apparent that we still understand relatively little about the importance of factors affecting predation on livestock and how to manage this conflict effectively. We consider the following avenues of research to be essential: (i) quantified assessments of the loss of viable livestock; (ii) landscape-level studies of contiguous properties to quantify losses associated with variables such as different husbandry practices; (iii) replicated experimental manipulations to identify the relative benefit of particular management practices, incorporating (iv) techniques to identify individual predators killing stock; and (v) economic analyses of different management approaches to quantify optimal production strategies.

Multiplexed quantitative proteomics using differential metabolic 15N-labeling

There are several advantages of using metabolic labeling in quantitative proteomics. The early pooling of samples compared to post-labeling methods eliminates errors from different sample processing, protein extraction and enzymatic digestion. Metabolic labeling is also highly efficient and relatively inexpensive compared to commercial labeling reagents. However, methods for multiplexed quantitation in the MS-domain (or ‘non-isobaric’ methods), suffer from signal dilution at higher degrees of multiplexing, as the MS/MS signal for peptide identification is lower given the same amount of peptide loaded onto the column or injected into the mass spectrometer. This may partly be overcome by mixing the samples at non-uniform ratios, for instance by increasing the fraction of unlabeled proteins. We have developed an algorithm for arbitrary degrees of nonisobaric multiplexing for relative protein abundance measurements. We have used metabolic labeling with different levels of 15N, but the algorithm is in principle applicable to any isotope or combination of isotopes. Ion trap mass spectrometers are fast and suitable for LC-MS/MS and peptide identification. However, they cannot resolve overlapping isotopic envelopes from different peptides, which makes them less suitable for MS-based quantitation. Fourier-transform ion cyclotron resonance (FTICR) mass spectrometry is less suitable for LC-MS/MS, but provides the resolving power required to resolve overlapping isotopic envelopes. We therefore combined ion trap LC-MS/MS for peptide identification with FTICR LC-MS for quantitation using chromatographic alignment. We applied the method in a heat shock study in a plant model system (A. thaliana) and compared the results with gene expression data from similar experiments in literature.

The decomposition of some RDX and HMX based materials in the one dimensional time to explosion apparatus. Part 2. Estimating the violence of the cook-off event

Various methods of assessment have been applied to the One Dimensional Time to Explosion (ODTX) apparatus and experiments with the aim of allowing an estimate of the comparative violence of the explosion event to be made. Non-mechanical methods used were a simple visual inspection, measuring the increase in the void volume of the anvils following an explosion and measuring the velocity of the sound produced by the explosion over 1 metre. Mechanical methods used included monitoring piezo-electric devices inserted in the frame of the machine and measuring the rotational velocity of a rotating bar placed on the top of the anvils after it had been displaced by the shock wave. This last method, which resembles original Hopkinson Bar experiments, seemed the easiest to apply and analyse, giving relative rankings of violence and the possibility of the calculation of a “detonation” pressure.

Consistency in approximate entropy given by a volumetric estimate

Non-linear methods for estimating variability in time-series are currently of widespread use. Among such methods are approximate entropy (ApEn) and sample approximate entropy (SampEn). The applicability of ApEn and SampEn in analyzing data is evident and their use is increasing. However, consistency is a point of concern in these tools, i.e., the classification of the temporal organization of a data set might indicate a relative less ordered series in relation to another when the opposite is true. As highlighted by their proponents themselves, ApEn and SampEn might present incorrect results due to this lack of consistency. In this study, we present a method which gains consistency by using ApEn repeatedly in a wide range of combinations of window lengths and matching error tolerance. The tool is called volumetric approximate entropy, vApEn. We analyze nine artificially generated prototypical time-series with different degrees of temporal order (combinations of sine waves, logistic maps with different control parameter values, random noises). While ApEn/SampEn clearly fail to consistently identify the temporal order of the sequences, vApEn correctly do. In order to validate the tool we performed shuffled and surrogate data analysis. Statistical analysis confirmed the consistency of the method. (C) 2008 Elsevier Ltd. All rights reserved.

On ""Schwinger mechanism for gluon pair production in the presence of arbitrary time dependent chromo-electric field""

Recently the paper ""Schwinger mechanism for gluon pair production in the presence of arbitrary time dependent chromo-electric field"" by G. C. Nayak was published [Eur. Phys. J. C 59: 715, 2009; arXiv:0708.2430]. Its aim is to obtain an exact expression for the probability of non-perturbative gluon pair production per unit time per unit volume and per unit transverse momentum in an arbitrary time-dependent chromo-electric background field. We believe that the obtained expression is open to question. We demonstrate its inconsistency on some well-known examples. We think that this is a consequence of using the socalled ""shift theorem""[arXiv:hep-th/0609192] in deriving the expression for the probability. We make some critical comments on the theorem and its applicability to the problem in question.

Scalar form factors and nuclear interactions

The scalar-isoscalar term in the two-pion exchange NN potential is abnormally large and does not respect the hierarchy of effects predicted by chiral perturbation theory. We argue that this anomaly is associated with non-perturbative effects, which are also present in the pi N scalar form factor.

Linear covariant gauges on the lattice

Linear covariant gauges, such as Feynman gauge, are very useful in perturbative calculations. Their non-perturbative formulation is, however, highly non-trivial. In particular, it is a challenge to define linear covariant gauges on a lattice. We consider a class of gauges in lattice gauge theory that coincides with the perturbative definition of linear covariant gauges in the formal continuum limit. The corresponding gauge-fixing procedure is described and analyzed in detail, with an application to the pure SU(2) case. In addition, results for the gluon propagator in the two-dimensional case are given. (C) 2008 Elsevier B.V. All rights reserved.

User perspectives on the Swedish Maternal Health Care Register

Background: Established in 1999, the Swedish Maternal Health Care Register (MHCR) collects data on pregnancy, birth, and the postpartum period for most pregnant women in Sweden. Antenatal care (ANC) midwives manually enter data into the Web-application that is designed for MHCR. The aim of this study was to investigate midwives? experiences, opinions and use of the MHCR. Method: A national, cross-sectional, questionnaire survey, addressing all Swedish midwives working in ANC, was conducted January to March 2012. The questionnaire included demographic data, preformed statements with six response options ranging from zero to five (0 = totally disagree and 5 = totally agree), and opportunities to add information or further clarification in the form of free text comments. Parametric and non-parametric methods and logistic regression analyses were applied, and content analysis was used for free text comments. Results: The estimated response rate was 53.1%. Most participants were positive towards the Web-application and the included variables in the MHCR. Midwives exclusively engaged in patient-related work tasks perceived the register as burdensome (70.3%) and 44.2% questioned the benefit of the register. The corresponding figures for midwives also engaged in administrative supervision were 37.8% and 18.5%, respectively. Direct electronic transfer of data from the medical records to the MHCR was emphasised as significant future improvement. In addition, the midwives suggested that new variables of interest should be included in the MHCR ? e.g., infertility, outcomes of previous pregnancy and birth, and complications of the index pregnancy. Conclusions: In general, the MHCR was valued positively, although perceived as burdensome. Direct electronic transfer of data from the medical records to the MHCR is a prioritized issue to facilitate the working situation for midwives. Finally, the data suggest that the MHCR is an underused source for operational planning and quality assessment in local ANC centres.

Novel conducting polymer films and coated textiles

This research developed non-hazardous methods for coating wool with conductive polymers for thermal and anti-static clothing. Conductive polymers are black in colour, thus the synthesis of new conductive polymers was required to produce coloured or fluorescent conductive textile. Cross-linked conductive polymers were also synthesised to increase their durability.

Doppler radar in respiratory monitoring : detection and analysis

This paper presents the preliminary results of our work in detecting respiration using Doppler Radar in the 2.7 GHz operating band. We demonstrate the capability of Doppler Radar in capturing breathing patterns under various breathing forms such as normal breathing, fast breathing, as well as different rate of inhale and exhale. From the captured signals, respiration rate was obtained using Fast Fourier Transform and validated. The proposed approach could potentially be used in number of applications involving breathing rate and breathing pattern analysis via non-contact methods.

Sistema de aquisição do ciclo pressão-volume cardíaco por métodos não-invasivos

A aquisição do ciclo pressão-volume é de grande importância para diagnóstico de cardiopatias e principalmente para o acompanhamento de intervenções terapêuticas, porém os métodos hoje utilizados são caros e agressivos ao paciente, reduzindo por estes motivos sua aplicação. Este estudo pretende obter, por métodos não-invasivos, o ciclo pressão-volume do ventrículo esquerdo de pacientes humanos. Isto consiste na aquisição dos sinais P(t) e V(t) simultaneamente e a apresentação de um gráfico P(V). Para tanto, após a revisão bibliográfica, decidiu-se utilizar a ecocardiografia com detecção automática de bordos, para obtenção do volume ventricular e a medição da onda de pressão transmitida através da artéria braquial para um manguito inflado com ar, conectado a um transdutor piezo-resistivo em ponte. A aquisição da pressão pelo método não-invasivo é comparada a dados resultantes da aquisição invasiva da pressão arterial por catéter intra-aórtico que é considerado padrãoouro. Os sinais são condicionados e digitalizados em uma placa de aquisição com conversor A/D de 8 bits e micro controlador 80c196. Os dados digitalizados são então enviados serialmente para um computador onde são gerados os gráficos. Obteve-se de cinco pacientes nove aquisições simultâneas da pressão invasiva através de catéter intra-aórtico e do protótipo desenvolvido resultando concordância segundo o método de Bland e Altman (1986) (r=0,989; d + 2s= 6,52; d - 2s =-6,07), comprovando a eficiência do método de aquisição. Obteve-se resultado satisfatório também quanto à operação sistema desenvolvido pois foram realizadas dez aquisições em cinco pacientes, registrando-se gráficos bastante similares aos apresentados na literatura disponível.