Using single and double laser pulses on the molecular Ni@CH system to design integrated nanospintronic units.

The accomplishment of long-distance spin transfer scenarios between several magnetic centers is a big challenge for building and supporting spin-logic units for developing future all-optical magnetic unit operations. Using high-level quantum chemistry theory CCSD and EOM-CCSD, we systematically study the ultrafast laser-induced spin-dynamics process on a carbon-based material, to which four magnetic centers are attached. We show that the CCSD method with the 6-31G basis set calculation is sensitive to the C-Ni bond length.

Laser-induced ultrafast spin-transfer processes in non-linear zigzag carbon chain systems.

We combine the high-level quantum chemistry theory CCSD and EOM-CCSD together with local and global Λ processes to investigate the details of the laser-induced ultrafast spin manipulation scenarios in non-linear zigzag carbon chain systems Ni@CH and Ni@CH. The spin density distribution, which is calculated on each many-body state using a Mulliken population analysis, fulfills the requirements to accomplish the spin dynamics processes. Various spin-flip and spin-transfer scenarios are accomplished.

Ultrafast control of laser-induced spin-dynamics scenarios on two-dimensional Ni3@C63H54 magnetic system.

The concept of building logically functional networks employing spintronics or magnetic heterostructures is becoming more and more popular today. Incorporating logical segments into a circuit needs physical bonds between the magnetic molecules or clusters involved. In this framework, we systematically study ultrafast laser-induced spin-manipulation scenarios on a closed system of three carbon chains to which three Ni atoms are attached.

Genetic Diversity and Population Structure of in Morocco as Revealed by Multilocus Sequence Typing (MLST) Approach.

is endemic in Morocco, and it causes both visceral (VL) and cutaneous leishmaniasis (CL). In this study, the multilocus sequence typing (MLST) approach was used to investigate the phylogeny and population structure of strains isolated from CL and VL patients and the canine reservoir in different leishmaniasis endemic foci in Morocco. For this purpose, eight loci (, , , , , , and ) were amplified in 40 samples, out of which 31 were successfully sequenced.

Anxiety and Depression Symptoms in At-Risk Pregnancy: Influence on Maternal-Fetal Attachment in Tunisia.

Objectives: To investigate maternal prenatal anxiety and depression in high-risk pregnancies and examine their influence on maternal-fetal attachment.

Methods: We included 95 hospitalized high-risk pregnant women. The Hospital Anxiety and Depression Scale (HADS) and the Prenatal Attachment Inventory (PAI) were used to assess the primary objective.

First-principles study of the structural and electronic properties of tetragonal ZrOX (X = S, Se, and Te) monolayers and their vdW heterostructures for applications in optoelectronics and photocatalysis.

Using first-principles calculations, we have studied the structural and electronic properties of ZrOX (X = S, Se, and Te) monolayers and their van der Waals heterostructures in the tetragonal structure. Our results show that these monolayers are dynamically stable and are semiconductors with electronic bandgaps ranging from 1.98 to 3.

Threshold switching in nickel-doped zinc oxide based memristor for artificial sensory applications.

Electronic devices featuring biomimetic behaviour as electronic synapses and neurons have motivated the emergence of a new era in information and humanoid robotics technologies. In the human body, a nociceptor is a unique sensory neuron receptor that is capable of detecting harmful signals, leading to the central nervous system initiating a motor response. Herein, a nickel-doped zinc oxide (NZO)/Au based memristor is fabricated for the first time and characterized for artificial nociceptor application.

Enzymatic and Molecular Characterization of Anti- Molecules That Differently Target and Mammalian eIF4A Proteins, LieIF4A and eIF4A.

Previous investigations of the eIF4A-like protein (LieIF4A) as a potential drug target delivered cholestanol derivatives inhibitors. Here, we investigated the mode of action of cholesterol derivatives as a novel scaffold structure of LieIF4A inhibitors on the RNA-dependent ATPase activity of LieIF4A and its mammalian ortholog (eIF4AI). We compared their biochemical effects on RNA-dependent ATPase activities of both proteins and investigated if rocaglamide, a known inhibitor of eIF4A, could affect LieIF4A as well.

Smart ECG Biosensor Design with an Improved ANN Performance Based on the Taguchi Optimizer.

This paper aims to design a smart biosensor to predict electrocardiogram (ECG) signals in a specific auscultation site from other ECG signals measured from other measurement sites. The proposed design is based on a hybrid architecture using the Artificial Neural Networks (ANNs) model and Taguchi optimizer to avoid the ANN issues related to hyperparameters and to improve its accuracy. The proposed approach aims to optimize the number and type of inputs to be considered for the ANN model.

Lattice Instability and Ultralow Lattice Thermal Conductivity of Layered PbIF.

Understanding the interplay between various design strategies (for instance, bonding heterogeneity and lone pair induced anharmonicity) to achieve ultralow lattice thermal conductivity (κ) is indispensable for discovering novel functional materials for thermal energy applications. In the present study, we investigate layered PbXF (X = Cl, Br, I), which offers bonding heterogeneity through the layered crystal structure, anharmonicity through the Pb 6s lone pair, and phonon softening through the mass difference between F and Pb/X. The weak interlayer van der Waals bonding and the strong intralayer ionic bonding with partial covalent bonding result in a significant bonding heterogeneity and a poor phonon transport in the out-of-plane direction.

Electronic, Optical, and Elastic Properties of CaFI Monolayer and Acoustic Phonon Dispersion at Hypersonic Frequencies Using Density Functional Theory and beyond with Random Phase Approximation and Bethe-Salpeter Equation.

The extraordinary properties of graphene have motivated us to investigate a novel 2D compound. In this framework, we study the structural, vibrational, electronic, optical, and elastic properties of a new two-dimensional CaFI monolayer, using DFT, GW, RPA, and BSE methodologies. The phonon dispersion curve of the CaFI monolayer exhibited no unstable phonon modes, confirming that this 2D sheet is dynamically stable.

Multilocus sequence analysis provides new insight into population structure and genetic diversity of Leishmania tropica in Morocco.

Cutaneous leishmaniasis (CL) is one of the most neglected tropical diseases, caused by different Leishmania species. Despite its high incidence in Morocco, CL due to Leishmania tropica is poorly understood in terms of its epidemiological status and population structure. In this study, we used multilocus sequence typing (MLST) in order to explore the genetic heterogeneity of L.

[Ballistic trauma of the face: A new scourge in Tunisia].

Introduction: Ballistic trauma of the face has aroused growing interest since the proliferation of conflicts in the world and particularly in the fight against terrorism. Their polymorphous and disfiguring character, their particular evolution and prognosis due to the ballistic aetiology, differentiate them from classic maxillofacial trauma. Tunisia did not escape this scourge after the revolution of 2011, and must therefore face the challenge of ballistic trauma in general and of the face in particular.

The Identification of Potential Members of the Ded1/DDX3 Subfamily of DEAD-Box RNA Helicases from the Protozoan Parasite and Their Analyses in Yeast.

DEAD-box RNA helicases are ubiquitous proteins found in all kingdoms of life and that are associated with all processes involving RNA. Their central roles in biology make these proteins potential targets for therapeutic or prophylactic drugs. The Ded1/DDX3 subfamily of DEAD-box proteins is of particular interest because of their important role(s) in translation.

A DFT study of Janus structure of S and Se in HfSSe layered as a promising candidate for electronic devices.

The transition-metal dichalcogenides are presently being intensively researched because of their unique optoelectronic properties. Further, the success of TMDs in all areas of science without exception has opened the street to find other two-dimensional materials. Based on density functional theory, we study the vibrational and electronic properties of the mixed-phase of S and Se in HfSSe system, i.

DFT study of electronic and optical properties of silicene functionalized with chemical groups.

In the last years, a band-gap tunability is particularly interesting for the fabrication of flexible and ultrathin optical devices since it is known from earlier studies that two-dimensional materials can display a much larger sunlight absorption than commonly employed semiconductors. Using density functional theory, we study the structural, electronic and optical properties such as dielectric function, absorption coefficient, conductivity, and a refractive index of silicene monolayer functionalized with chemical groups or atoms (i.e, X-Si-Y, Cl-Si-Br, and X'-Si-X' with X = Cl, F, or OH; Y = CN; X'  = CN, CH, or NH).

New Insights on the Adjuvant Properties of the Eukaryotic Initiation Factor.

Vaccination is the most effective tool against infectious diseases. Subunit vaccines are safer compared to live-attenuated vaccines but are less immunogenic and need to be delivered with an adjuvant. Adjuvants are essential for enhancing vaccine potency by improving humoral and cell-mediated immune responses.

Infection of Human Neutrophils With or Strains Triggers Activation and Differential Cytokines Release.

Leishmaniases are neglected diseases, caused by intracellular protozoan parasites of the (.) genus. Although the principal host cells of the parasites are macrophages, neutrophils are the first cells rapidly recruited to the site of parasites inoculation, where they play an important role in the early recognition and elimination of the parasites.

Electronic properties of several two dimensional halides from ab initio calculations.

Using density functional theory, we study the electronic properties of several halide monolayers. We show that their electronic bandgaps, as obtained with the HSE hybrid functional, range between 3.0 and 7.

Leishmania infantum LeIF and its recombinant polypeptides induce the maturation of dendritic cells in vitro: An insight for dendritic cells based vaccine.

We previously showed that recombinant Leishmania infantum eukaryotic initiation factor (LieIF) was able to induce the secretion of cytokines IL-12, IL-10 and TNF-α by human monocytes. In this study, we explored in vitro the potential of LieIF to induce phenotypic maturation and functional differentiation of murine bone-marrow derived dendritic cells (BM-DCs). Moreover, in order to identify potential immunnomodulatory regions of LieIF, eight recombinant overlapping protein fragments covering the whole amino acid sequence of protein, were constructed and assessed in vitro for their ability to induce maturation of BM-DCs.

Bayesian phylogenetic analysis of the influenza-A virus genomes isolated in Tunisia, and determination of potential recombination events.

The influenza-A virus (IAV) causes seasonal epidemics and presents a pandemic risk with the possibility of genetic re-assortment, allowing the emergence of new strains. The evolution of IAVes is done most often by relatively frequent re-assortment between gene segments, but the hypothesis of their evolution by recombination between RNA segments has not been justified to this date. Here, we examine this hypothesis by Bayesian phylogenetic analysis, to test if recombination events have occurred between genomic RNA segments.

[Evaluation of surgical antibiotic prophylaxis in a Tunisian University Hospital].

Antibiotic prophylaxis (ATBP) is one of the specific measures for the prevention of surgical site infections, whose impact has been quantified in clean or clean-contaminated surgery. Our study aims to evaluate the conformity of ATBP practices and the adherence to the prescribing protocols adopted in our Hospital. We conducted a clinical audit retrospective observational study, evaluating antibiotic prophylaxis practices in our Hospital in the month of March 2015.

The steroid derivative 6-aminocholestanol inhibits the DEAD-box helicase eIF4A (LieIF4A) from the Trypanosomatid parasite Leishmania by perturbing the RNA and ATP binding sites.

The antifungal agent 6-aminocholestanol targets the production of ergosterol, which is the principle sterol in many fungi and protozoans; ergosterol serves many of the same roles as cholesterol in animals. We found that it also is an effective inhibitor of the translation-initiation factor eIF4AI from mouse (eIF4AI) and the Trypanosomatid parasite Leishmania (LieIF4A). The eIF4A proteins belong to the DEAD-box family of RNA helicases, which are ATP-dependent RNA-binding proteins and RNA-dependent ATPases.

Identification of novel leishmanicidal molecules by virtual and biochemical screenings targeting Leishmania eukaryotic translation initiation factor 4A.

Leishmaniases are neglected parasitic diseases in spite of the major burden they inflict on public health. The identification of novel drugs and targets constitutes a research priority. For that purpose we used Leishmania infantum initiation factor 4A (LieIF), an essential translation initiation factor that belongs to the DEAD-box proteins family, as a potential drug target.

Leishmania infantum 5'-Methylthioadenosine Phosphorylase presents relevant structural divergence to constitute a potential drug target.

Background: The 5'-methylthioadenosine phosphorylase (MTAP), an enzyme involved in purine and polyamine metabolism and in the methionine salvage pathway, is considered as a potential drug target against cancer and trypanosomiasis. In fact, Trypanosoma and Leishmania parasites lack de novo purine pathways and rely on purine salvage pathways to meet their requirements. Herein, we propose the first comprehensive bioinformatic and structural characterization of the putative Leishmania infantum MTAP (LiMTAP), using a comparative computational approach.