Enhanced excitonic effects in the energy loss spectra of LiF and Ar at large momentum transfer

It is demonstrated that the bootstrap kernel [\onlinecite{sharma11}] for finite values of ${\bf q}$ crucially depends upon the matrix character of the kernel and gives results of the same good quality as in the ${\bf q} \rightarrow 0$ limit. The bootstrap kernel is further used to study the electron loss as well as absorption spectra for Si, LiF and Ar for various values of ${\bf q}$. The results show that the excitonic effects in LiF and Ar are enhanced for values of ${\bf q}$ away from the $\Gamma$-point. The reason for this enhancement is the interaction between the exciton and high energy inter-band electron-hole transitions. This fact is validated by calculating the absorption spectra under the influence of an external electric field. The electron energy loss spectra is shown to change dramatically as a function of ${\bf q}$

A polynomial rooting approach for synchronization in multipath channels using antenna arrays

The estimation of the delay of a known training signal received by an antenna array in a multipath channel is addressed. The effect of the co-channel interference is taken into account by including a term with unknown spatial correlation. The channel is modeled as an unstructured FIR filter. The exact maximum likelihood (ML) solution for this problem is derived, but it does not have a simple dependence on the delay. An approximate estimator that is asymptotically equivalent to the exact one is presented. Using an appropriate reparameterization, it is shown that the delay estimate is obtained by rooting a low-order polynomial, which may be of interest in applications where fast feedforward synchronization is needed.Peer ReviewedPostprint (published version

Integrating gene and protein expression data with genome-scale metabolic networks to infer functional pathways

This article has been made available through the Brunel Open Access Publishing Fund. Copyright @ 2013 Pey et al.; licensee BioMed Central Ltd. This is an open access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.Background: The study of cellular metabolism in the context of high-throughput -omics data has allowed us to decipher novel mechanisms of importance in biotechnology and health. To continue with this progress, it is essential to efficiently integrate experimental data into metabolic modeling. Results: We present here an in-silico framework to infer relevant metabolic pathways for a particular phenotype under study based on its gene/protein expression data. This framework is based on the Carbon Flux Path (CFP) approach, a mixed-integer linear program that expands classical path finding techniques by considering additional biophysical constraints. In particular, the objective function of the CFP approach is amended to account for gene/protein expression data and influence obtained paths. This approach is termed integrative Carbon Flux Path (iCFP). We show that gene/protein expression data also influences the stoichiometric balancing of CFPs, which provides a more accurate picture of active metabolic pathways. This is illustrated in both a theoretical and real scenario. Finally, we apply this approach to find novel pathways relevant in the regulation of acetate overflow metabolism in Escherichia coli. As a result, several targets which could be relevant for better understanding of the phenomenon leading to impaired acetate overflow are proposed. Conclusions: A novel mathematical framework that determines functional pathways based on gene/protein expression data is presented and validated. We show that our approach is able to provide new insights into complex biological scenarios such as acetate overflow in Escherichia coli.Basque Governmen

Time dependent transport phenomena

The aim of this review is to give a pedagogical introduction to our recently proposed ab initio theory of quantum transport.Comment: 28 pages, 18 figure

Evaluation Of Intensive Behavioral Interventions For Severe Avoidant/Restrictive Food Intake Disorder In Young Children

Children with avoidant/restrictive food intake disorder (ARFID) may refuse to consume an adequate variety and/or volume to maintain expected physical growth and cognitive performance (Kerwin, 1999; American Psychiatric Association, 2013). This disorder can result from complicated medical histories or diagnoses of autism or related disorders and is distinct from eating disorders which include obsessive thoughts about food and body image. These children often are medically and physically able to consume food or liquid by mouth but may engage in inappropriate mealtime behavior (IMB; e.g., turning head, hitting spoon) to escape or avoid eating. Behavioral interventions like positive reinforcement and escape prevention have been shown to increase consumption and decrease IMB in children with ARFID. However, for some children, these interventions are insufficient in treating food/liquid refusal, especially passive refusal (e.g., clenching mouth while sitting still). In these cases, physical guidance procedures may be utilized to prompt the child’s mouth open to deposit food or drink. Research indicates that these procedures are effective and are rated as acceptable by caregivers; however, additional research is warranted. Chapter one is a systematic literature review of behavioral treatments of ARFID using physical guidance procedures as an open-mouth prompt to increase food acceptance and discussed limitations and implications for practice and future research. Based on the invasive nature of physical guidance, this study provides recommendations for researchers and clinicians to increase the quality of their treatment evaluations. Chapter two replicated an existing physical guidance procedure, the finger prompt (e.g., Rubio et al., 2020), and compared its efficacy and acceptability to that of a clinically utilized procedure, a spoon prompt, that had not yet been empirically evaluated. This study used an alternating treatments design embedded within a multiple baseline design across three participants to evaluate and compare the two treatments. We also defined and measured passive refusal as a primary dependent variable. Findings of this study indicated both prompts were effective in increasing bite acceptance for two participants. Caregivers perceived the finger prompt to be more acceptable. Researchers discuss limitations and future directions based on results of the study

An exact Coulomb cutoff technique for supercell calculations

We present a new reciprocal space analytical method to cutoff the long range interactions in supercell calculations for systems that are infinite and periodic in 1 or 2 dimensions, extending previous works for finite systems. The proposed cutoffs are functions in Fourier space, that are used as a multiplicative factor to screen the bare Coulomb interaction. The functions are analytic everywhere but in a sub-domain of the Fourier space that depends on the periodic dimensionality. We show that the divergences that lead to the non-analytical behaviour can be exactly cancelled when both the ionic and the Hartree potential are properly screened. This technique is exact, fast, and very easy to implement in already existing supercell codes. To illustrate the performance of the new scheme, we apply it to the case of the Coulomb interaction in systems with reduced periodicity (as one-dimensional chains and layers). For those test cases we address the impact of the cutoff in different relevant quantities for ground and excited state properties, namely: the convergence of the ground state properties, the static polarisability of the system, the quasiparticle corrections in the GW scheme and in the binding energy of the excitonic states in the Bethe-Salpeter equation. The results are very promising.Comment: Submitted to Physical Review B on Dec 23rd 200

The Structure of a Low-Metallicity Giant Molecular Cloud Complex

To understand the impact of low metallicities on giant molecular cloud (GMC) structure, we compare far infrared dust emission, CO emission, and dynamics in the star-forming complex N83 in the Wing of the Small Magellanic Cloud. Dust emission (measured by Spitzer as part of the S3MC and SAGE-SMC surveys) probes the total gas column independent of molecular line emission and traces shielding from photodissociating radiation. We calibrate a method to estimate the dust column using only the high-resolution Spitzer data and verify that dust traces the ISM in the HI-dominated region around N83. This allows us to resolve the relative structures of H2, dust, and CO within a giant molecular cloud complex, one of the first times such a measurement has been made in a low-metallicity galaxy. Our results support the hypothesis that CO is photodissociated while H2 self-shields in the outer parts of low-metallicity GMCs, so that dust/self shielding is the primary factor determining the distribution of CO emission. Four pieces of evidence support this view. First, the CO-to-H2 conversion factor averaged over the whole cloud is very high 4-11 \times 10^21 cm^-2/(K km/s), or 20-55 times the Galactic value. Second, the CO-to-H2 conversion factor varies across the complex, with its lowest (most nearly Galactic) values near the CO peaks. Third, bright CO emission is largely confined to regions of relatively high line-of-sight extinction, A_V >~ 2 mag, in agreement with PDR models and Galactic observations. Fourth, a simple model in which CO emerges from a smaller sphere nested inside a larger cloud can roughly relate the H2 masses measured from CO kinematics and dust.Comment: 17 pages, 10 figures (including appendix), accepted for publication in the Astrophysical Journa