2,255 research outputs found
Review of biorthogonal coupled cluster representations for electronic excitation
Single reference coupled-cluster (CC) methods for electronic excitation are
based on a biorthogonal representation (bCC) of the (shifted) Hamiltonian in
terms of excited CC states, also referred to as correlated excited (CE) states,
and an associated set of states biorthogonal to the CE states, the latter being
essentially configuration interaction (CI) configurations. The bCC
representation generates a non-hermitian secular matrix, the eigenvalues
representing excitation energies, while the corresponding spectral intensities
are to be derived from both the left and right eigenvectors. Using the
perspective of the bCC representation, a systematic and comprehensive analysis
of the excited-state CC methods is given, extending and generalizing previous
such studies. Here, the essential topics are the truncation error
characteristics and the separability properties, the latter being crucial for
designing size-consistent approximation schemes. Based on the general order
relations for the bCC secular matrix and the (left and right) eigenvector
matrices, formulas for the perturbation-theoretical (PT) order of the
truncation errors (TEO) are derived for energies, transition moments, and
property matrix elements of arbitrary excitation classes and truncation levels.
In the analysis of the separability properties of the transition moments, the
decisive role of the so-called dual ground state is revealed. Due to the use of
CE states the bCC approach can be compared to so-called intermediate state
representation (ISR) methods based exclusively on suitably orthonormalized CE
states. As the present analysis shows, the bCC approach has decisive advantages
over the conventional CI treatment, but also distinctly weaker TEO and
separability properties in comparison with a full (and hermitian) ISR method
CurrentâVoltage Characteristics in Individual Polypyrrole Nanotube, Poly(3,4-ethylenedioxythiophene) Nanowire, Polyaniline Nanotube, and CdS Nanorope
In this paper, we focus on currentâvoltage (IâV) characteristics in several kinds of quasi-one-dimensional (quasi-1D) nanofibers to investigate their electronic transport properties covering a wide temperature range from 300 down to 2 K. Since the complex structures composed of ordered conductive regions in series with disordered barriers in conducting polymer nanotubes/wires and CdS nanowires, all measured nonlinearIâVcharacteristics show temperature and field-dependent features and are well fitted to the extended fluctuation-induced tunneling and thermal excitation model (Kaiser expression). However, we find that there are surprisingly similar deviations emerged between theIâVdata and fitting curves at the low bias voltages and low temperatures, which can be possibly ascribed to the electronâelectron interaction in such quasi-1D systems with inhomogeneous nanostructures
Prevalence and factors associated with intestinal parasites among food handlers of food and drinking establishments in Aksum Town, Northern Ethiopia
Wheat is an emerging exposure route for arsenic in Bihar, India
In arsenic (As) endemic areas of south-east Asia, where a subsistence rice-based diet is 19 prevalent, As exposure from food is mainly focused on rice intake. However, consumption of 20 wheat is substantial and increasing. We present a probabilistic assessment of increased cancer 21 risk from wheat-based food intake in a study population of rural Bihar, India where As exposure 22 is endemic. Total As in wheat grains (43.64±48.19 Όg/kg, n=72) collected from 77 households 23 across 19 villages was found to be lower than reported As in wheat grains from other south-24 east Asian countries but higher than a previous study from Bihar.
As concentration in wheat flour was used for risk estimation, bearing in mind that it was the 26 flour obtained after indigenous household processing of the grains that was used for making 27 the home-made bread (chapati) which contributed 95% of wheat intake for the studied 28 population. Interestingly, while 78% of the surveyed participants (n=154) consumed rice every 29 day, chapati was consumed every day by 99.5% of the participants. In contrast to previous 30 studies, where As concentration in wheat grain was found to be lower than the flour due to the 31 removal of the bran on grinding, we did not find any appreciable lowering of arsenic in the 32 wheat flour (49.80±74.08 Όg/kg, n=58), most likely due to external contamination during 33 processing and grinding. Estimated gender adjusted excess lifetime cancer risk of 1.23x10-4 for 34 the studied rural population of Bihar indicated risk higher than the 10-4-10-6 range, typically 35 used by the USEPA as a threshold to guide regulatory values. Hence, our findings suggest As 36 exposure from wheat-based food intake to be of concern not only in As endemic areas of rural 37 Bihar but also in non-endemic areas with similar wheat-based diet due to public distribution of 38 the wheat across India
Transcription of toll-like receptors 2, 3, 4 and 9, FoxP3 and Th17 cytokines in a susceptible experimental model of canine Leishmania infantum infection
Canine leishmaniosis (CanL) due to Leishmania infantum is a chronic zoonotic systemic disease resulting from complex interactions between protozoa and the canine immune system. Toll-like receptors (TLRs) are essential components of the innate immune system and facilitate the early detection of many infections. However, the role of TLRs in CanL remains unknown and information describing TLR transcription during infection is extremely scarce. The aim of this research project was to investigate the impact of L. infantum infection on canine TLR transcription using a susceptible model. The objectives of this study were to evaluate transcription of TLRs 2, 3, 4 and 9 by means of quantitative reverse transcription polymerase chain reaction (qRT-PCR) in skin, spleen, lymph node and liver in the presence or absence of experimental L. infantum infection in Beagle dogs. These findings were compared with clinical and serological data, parasite densities in infected tissues and transcription of IL-17, IL-22 and FoxP3 in different tissues in non-infected dogs (n = 10), and at six months (n = 24) and 15 months (n = 7) post infection. Results revealed significant down regulation of transcription with disease progression in lymph node samples for TLR3, TLR4, TLR9, IL-17, IL-22 and FoxP3. In spleen samples, significant down regulation of transcription was seen in TLR4 and IL-22 when both infected groups were compared with controls. In liver samples, down regulation of transcription was evident with disease progression for IL-22. In the skin, upregulation was seen only for TLR9 and FoxP3 in the early stages of infection. Subtle changes or down regulation in TLR transcription, Th17 cytokines and FoxP3 are indicative of the silent establishment of infection that Leishmania is renowned for. These observations provide new insights about TLR transcription, Th17 cytokines and Foxp3 in the liver, spleen, lymph node and skin in CanL and highlight possible markers of disease susceptibility in this model
CurrentâVoltage Characteristics in Individual Polypyrrole Nanotube, Poly(3,4-ethylenedioxythiophene) Nanowire, Polyaniline Nanotube, and CdS Nanorope
In this paper, we focus on currentâvoltage (IâV) characteristics in several kinds of quasi-one-dimensional (quasi-1D) nanofibers to investigate their electronic transport properties covering a wide temperature range from 300 down to 2 K. Since the complex structures composed of ordered conductive regions in series with disordered barriers in conducting polymer nanotubes/wires and CdS nanowires, all measured nonlinearIâVcharacteristics show temperature and field-dependent features and are well fitted to the extended fluctuation-induced tunneling and thermal excitation model (Kaiser expression). However, we find that there are surprisingly similar deviations emerged between theIâVdata and fitting curves at the low bias voltages and low temperatures, which can be possibly ascribed to the electronâelectron interaction in such quasi-1D systems with inhomogeneous nanostructures
Cholesterol Corrects Altered Conformation of MHC-II Protein in Leishmania donovani Infected Macrophages: Implication in Therapy
Previously we reported that Kala-azar patients show progressive decrease in serum cholesterol as a function of splenic parasite burden. Splenic macrophages (MΊ) of Leishmania donovani (LD) infected mice show decrease in membrane cholesterol, while LD infected macrophages (I-MΊ) show defective T cell stimulating ability that could be corrected by liposomal delivery of cholesterol. T helper cells recognize peptide antigen in the context of
class II MHC molecule. It is known that the conformation of a large number of membrane proteins is dependent on membrane cholesterol. In this investigation we tried to understand the influence of decreased membrane cholesterol in I-MΊ on the conformation of MHC-II protein and peptide-MHC-II stability, and its bearing on the antigen specific T-cell activatio
Validation of a simplified micromodel for analysis of infilled RC frames exposed to cyclic lateral loads
An RC frame structure with masonry infill walls (ââframed-masonryââ) exposed
to lateral loads acts as a composite structure. Numerical simulation of framed-masonry is
difficult and generally unreliable due to many difficulties and uncertainties in its modelling.
In this paper, we reviewed the usability of an advanced non-linear FEM computer
program to accurately predict the behaviour of framed-masonry elements when exposed to
cyclic lateral loading. Numerical results are validated against the test results of framedmasonry
specimens, with and without openings. Initial simplified micromodels were calibrated
by adjustment of the input parameters within the physically justifiable borders, in
order to obtain the best correlation between the experimental and numerical results. It has
been shown that the use of simplified micromodels for the investigation of composite
masonry-infilled RC frames requires in-depth knowledge and engineering judgement in
order to be used with confidence. Modelling problems were identified and explained in
detail, which in turn offer an insight to practising engineers on how to deal with them
Accreting Millisecond X-Ray Pulsars
Accreting Millisecond X-Ray Pulsars (AMXPs) are astrophysical laboratories
without parallel in the study of extreme physics. In this chapter we review the
past fifteen years of discoveries in the field. We summarize the observations
of the fifteen known AMXPs, with a particular emphasis on the multi-wavelength
observations that have been carried out since the discovery of the first AMXP
in 1998. We review accretion torque theory, the pulse formation process, and
how AMXP observations have changed our view on the interaction of plasma and
magnetic fields in strong gravity. We also explain how the AMXPs have deepened
our understanding of the thermonuclear burst process, in particular the
phenomenon of burst oscillations. We conclude with a discussion of the open
problems that remain to be addressed in the future.Comment: Review to appear in "Timing neutron stars: pulsations, oscillations
and explosions", T. Belloni, M. Mendez, C.M. Zhang Eds., ASSL, Springer;
[revision with literature updated, several typos removed, 1 new AMXP added
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