Importance of van der Waals interactions for ab initio studies of topological insulators

We investigate the lattice and electronic structures of the bulk and surface of the prototypical layered topological insulators Bi$_2$Se$_3$ and Bi$_2$Te$_3$ using ab initio density functional methods, and systematically compare the results of different methods of including van der Waals (vdW) interactions. We show that the methods utilizing semi-empirical energy corrections yield accurate descriptions of these materials, with the most precise results obtained by properly accounting for the long-range tail of the vdW interactions. The bulk lattice constants, distances between quintuple layers and the Dirac velocity of the topological surface states (TSS) are all in excellent agreement with experiment. In Bi$_2$Te$_3$, hexagonal warping of the energy dispersion leads to complex spin textures of the TSS at moderate energies, while in Bi$_2$Se$_3$ these states remain almost perfectly helical away from the Dirac point, showing appreciable signs of hexagonal warping at much higher energies, above the minimum of the bulk conduction band. Our results establish a framework for unified and systematic self-consistent first principles calculations of topological insulators in bulk, slab and interface geometries, and provides the necessary first step towards ab initio modeling of topological heterostructures.Comment: 26 pages, 7 figures. This is the Accepted Manuscript version of an article accepted for publication in Journal of Physics: Condensed Matter. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The Version of Record is available online at https://dx.doi.org/10.1088/1361-648X/abbdb

Solvent free synthesis of n-alkylated imino indoline-2-one derivatives under microwave irradiation

The solvent-free microwave-assisted syntheses of N-alkyl isatin Schiff base derivatives are reported. These isatin derivatives are obtained as a result of the condensation of an isatin compound with a benzyl halide and an aniline derivatives using microwave irradiation condition in high yield and short reaction time.               KEY WORDS: Microwave, Isatin derivatives, Solvent free, Combinatorial synthesis Bull. Chem. Soc. Ethiop. 2018, 32(2), 393-398.DOI: https://dx.doi.org/10.4314/bcse.v32i2.1

Use of group records of feed intake to select for feed efficiency in rabbit

Models for genetic evaluation of feed efficiency (FE) for animals housed in groups when they are either fed ad libitum (F) or on restricted (R) feeding were implemented. Definitions of FE on F included group records of feed intake (¯FI_F) and individual records of growth rate (GF) and metabolic weight (MF). Growth rate (GR) as FE measurement on R was used. Data corresponded to 5,336 kits from a rabbit sire line, from 1,255 litters in 14 batches and 667 cages. A five-trait mixed model (also with metabolic weight on R, MR) was implemented including, for each trait, the systematic effects of batch, body weight at weaning, parity order and litter size; and the random effects of litter, additive genetic and individual. A Bayesian analysis was performed. Conditional traits such as ¯FI_F |M_F,G_F and G_F |M_F,¯FI_F were obtained from elements of additive genetics ( ( ¯FI_F |M_F,G_F )_g and ( G_F |M_F,¯FI_F )_g ) or phenotypic (( ¯FI_F |M_F,G_F )_p and ( G_F |M_F,¯FI_F )_p ) (co)variance matrices. In the first case, heritabilities were low (0.07 and 0.06 for ( ¯FI_F |M_F,G_F )_g and ( G_F |M_F,¯FI_F )_g, respectively) but null genetic correlation between the conditional and conditioning traits is guaranteed. In the second case, heritabilities were higher (0.22 and 0.16 for ( ¯FI_F |M_F,G_F )_p and ( G_F |M_F,¯FI_F )_p, respectively) but the genetic correlation between ( ¯FI_F |M_F,G_F )_p and G_F was moderate (0.58). Heritability of GR was low (0.08). This trait was negatively correlated with ( G_F |M_F,¯FI_F )_p and ( G_F |M_F,¯FI_F )_gof animals on F, which indicate a different genetic background. The correlation between GR and GF was also low to moderate (0.48) and the additive variance of GF was almost 4 times that of GR, suggesting the presence of a substantial genotype by feeding regimen interaction.info:eu-repo/semantics/acceptedVersio

Evaluation of Preclinical Task Based Learning program in Medical Education [version 1; peer review: 1 approved, 2 approved with reservations]

The conventional curriculum in preclinical medical education has a need for early clinical exposure programs that help in correlation of basic science data with clinical skills. This is helpful to develop clinical reasoning skills, problem-solving abilities, team work, communication skills and overall attitudes and behaviour relevant for a healthcare provider. Preclinical task based learning (TskBL) is an active learning strategy in which the focus for the first year medical student is a real task done by a doctor. In this strategy the student-doctors undergo a standardized patient encounter and discuss the learning issues related to the task in the first year of medical school. The current study is focussed on the student perception of the effectiveness of task based learning module.The TskBL was conducted among first year medical students for nine topics that are commonly encountered in the clinics. After TskBL was planned and implemented the evaluation of the modules was done using focus group discussions. The students highlighted the importance of standardized patients in the TskBL strategy in providing early clinical exposure in preclinical medical education. They reported its usefulness gaining essential knowledge, skills and attitudes for medical learning. They reported positive outcomes of module design and processes and activities in TskBL. Based on the negative aspects of the modules, future improvement was suggested in improving the usefulness of standardized patient encounter. This study showed the novice learners’ outlook of the potency of TskBL for several other topics of clinical relevance to provide early clinical exposure in medical schools

Early experience with targeted therapy as a first-line adjuvant treatment for pediatric low-grade glioma.

OBJECTIVE: Pediatric low-grade gliomas (pLGGs) frequently exhibit dysregulation of the mitogen-activated protein kinase (MAPK) pathway. Targeted therapies, including mutant BRAF inhibitors (dabrafenib) and MEK inhibitors (trametinib), have shown promise in patients in whom conventional chemotherapy has failed. However, few studies have investigated the use of targeted therapy as a first-line treatment for pLGG. Here, the authors reviewed their institutional experience with using a personalized medicine approach to patients with newly diagnosed pLGGs. METHODS: All pediatric patients at the authors\u27 institution who had been treated with dabrafenib or trametinib for pLGG without first receiving conventional chemotherapy or radiation were retrospectively reviewed. Demographic, clinical, and radiological data were collected. RESULTS: Eight patients underwent targeted therapy as a first-line treatment for pLGG. Five patients had a BRAF alteration (1 with a BRAFV600E mutation, 4 with a KIAA1549:BRAF fusion), and 3 patients had an NF1 mutation. One of the 8 patients was initially treated with dabrafenib, and trametinib was added later. Seven patients were initially treated with trametinib; of these, 2 later transitioned to dual therapy, whereas 5 continued with trametinib monotherapy. Six patients (75%) demonstrated a partial response to therapy during their treatment course, whereas stable disease was identified in the remaining 2 patients (25%). One patient experienced mild disease progression after completing a course of trametinib monotherapy, but ultimately stabilized after a period of close observation. Another patient experienced tumor progression while on dabrafenib, but subsequently responded to dual therapy with dabrafenib and trametinib. The most common adverse reactions to targeted therapy were cutaneous toxicity (100%) and diarrhea (50%). CONCLUSIONS: Targeted therapies have the potential to become a standard treatment option for pLGG due to their favorable toxicity profile and oral route of administration. This case series provides preliminary evidence that targeted therapies can induce an early disease response as a first-line adjuvant treatment; however, large-scale studies are required to assess long-term durability and safety

TAPCHA: An Invisible CAPTCHA Scheme

TAPCHA is a universal CAPTCHA scheme designed for touch-enabled smart devices such as smartphones, tablets and smartwatches. The main difference between TAPCHA and other CAPTCHA schemes is that TAPCHA retains its security by making the CAPTCHA test ‘invisible’ for the bot. It then utilises context effects to maintain the readability of the instruction for human users which eventually guarantees the usability of the scheme. Two reference designs, namely TAPCHA SHAPE & SHADE and TAPCHA MULTI are developed to demonstrate the use of this scheme

Genome-wide pleiotropy and shared biological pathways for resistance to bovine pathogens

<div><p>Host genetic architecture is a major factor in resistance to pathogens and parasites. The collection and analysis of sufficient data on both disease resistance and host genetics has, however, been a major obstacle to dissection the genetics of resistance to single or multiple pathogens. A severe challenge in the estimation of heritabilities and genetic correlations from pedigree-based studies has been the confounding effects of the common environment shared among relatives which are difficult to model in pedigree analyses, especially for health traits with low incidence rates. To circumvent this problem we used genome-wide single-nucleotide polymorphism data and implemented the Genomic-Restricted Maximum Likelihood (G-REML) method to estimate the heritabilities and genetic correlations for resistance to 23 different infectious pathogens in calves and cows in populations undergoing natural pathogen challenge. Furthermore, we conducted gene-based analysis and generalized gene-set analysis to understand the biological background of resistance to infectious diseases. The results showed relatively higher heritabilities of resistance in calves than in cows and significant pleiotropy (both positive and negative) among some calf and cow resistance traits. We also found significant pleiotropy between resistance and performance in both calves and cows. Finally, we confirmed the role of the B-lymphocyte pathway as one of the most important biological pathways associated with resistance to all pathogens. These results both illustrate the potential power of these approaches to illuminate the genetics of pathogen resistance in cattle and provide foundational information for future genomic selection aimed at improving the overall production fitness of cattle.</p></div