Design, synthesis, DFT calculations, molecular docking and antimicrobial activities of novel cobalt, chromium metal complexes of heterocyclic moiety-based 1,3,4-oxadiazole derivatives.

A Schiff base, 5-(4-methylphenyl)-4-[(pyridin-2-ylmethylidene)amino]-4-1,2,4-oxadiazole as a bidentate ligand has been synthesized by the reaction between the 4-amino-5-(4-methylphenyl)-4-1,3,4-oxadiazole and aromatic aldehyde. The Schiff base reacted with CoCl·6HO and CrCl·6HO in ethanol to yield 1,3,4-oxadiazole complexes. The structures of synthesized ligand and their complexes have been established on the basis of their IR, Mass and H-NMR spectra.

Alarming decline of freshwater trigger species in western Mediterranean key biodiversity areas.

Theidentification of key biodiversity areas (KBA) was initiated by the International Union for Conservation of Nature in 2004 to overcome taxonomic biases in the selection of important areas for conservation, including freshwater ecosystems. Since then, several KBAs have been identified mainly based on the presence of trigger species (i.e.

Design, Hemiysnthesis, crystal structure and anticancer activity of 1, 2, 3-triazoles derivatives of totarol.

A new series of diverse triazoles linked to the hydroxyl group of totarol were synthesized using click chemistry approach. The structures of these compounds were elucidated by HRMS, IR and NMR spectroscopy. The structure of compound 3 g was also confirmed by x-ray single crystal diffraction.

Structured headache services as the solution to the ill-health burden of headache: 1. Rationale and description.

In countries where headache services exist at all, their focus is usually on specialist (tertiary) care. This is clinically and economically inappropriate: most headache disorders can effectively and more efficiently (and at lower cost) be treated in educationally supported primary care. At the same time, compartmentalizing divisions between primary, secondary and tertiary care in many health-care systems create multiple inefficiencies, confronting patients attempting to navigate these levels (the "patient journey") with perplexing obstacles.

Alleviation of salinity and metal stress using plant growth-promoting rhizobacteria isolated from semiarid Moroccan copper-mine soils.

Phytoremediation is an eco-friendly method for rehabilitation of mine tailing. Some heavy metals and salt-tolerant plant growth-promoting rhizobacteria (PGPR) could be beneficial in alleviating soil salinity and heavy metal stress during plant growth. The aim of this work is to select PGPR that could be used in phytoremediation process.

Repeated cocaine exposure prior to fear conditioning induces persistency of PTSD-like symptoms and enhancement of hippocampal and amygdala cell density in male rats.

Pre- and post-trauma drug use can interfere with recovery from post-traumatic stress disorder (PTSD). However, the biological underpinnings of this interference are poorly understood. Here we examined the effect of pre-fear conditioning cocaine self-administration on PTSD-like symptoms in male rats, and defined impairment of fear extinction as difficulty to recover from PTSD.

Early Holocene greening of the Sahara requires Mediterranean winter rainfall.

The greening of the Sahara, associated with the African Humid Period (AHP) between ca. 14,500 and 5,000 y ago, is arguably the largest climate-induced environmental change in the Holocene; it is usually explained by the strengthening and northward expansion of the African monsoon in response to orbital forcing. However, the strengthened monsoon in Early to Middle Holocene climate model simulations cannot sustain vegetation in the Sahara or account for the increased humidity in the Mediterranean region.

Dissemination of Carbapenemases (OXA-48, NDM and VIM) Producing Isolated from the Mohamed VI University Hospital in Marrakech, Morocco.

The emergence and spread of carbapenem-resistant (CRE) represent a major clinical problem and raise serious health concerns. The present study aimed to investigate and ascertain the occurrence of CRE among hospitalized patients of Mohamed VI University Hospital, Marrakech, Morocco. Biological samples were collected over a one-year period (2018).

[Epidemiological aspects and prognostic factors of severe traumatic brain injuries].

Objective: To determine the severity factors in severe traumatic brain injuries.

Methods: A prospective descriptive study of severe head injuries admitted to the emergency department at Ibn Tofail Hospital at the University Hospital of Marrakech over a period of six months from May to October 2015. The following data was collected: circumstances, clinical, biology, radiology, treatment and evolution.

DFT, Monte Carlo and molecular dynamics simulations for the prediction of corrosion inhibition efficiency of novel pyrazolylnucleosides on Cu(111) surface in acidic media.

Five novel pyrazolylnucleosides have been evaluated theoretically for their corrosion inhibition efficiency on the Cu(111) surface in acidic media. DFT calculations were carried out to exhibit the intrinsic properties such as lowest unoccupied (E) and highest occupied (E) molecular orbital energies, as well as energy gap (∆E), chemical hardness (η), chemical softness (σ), electronegativity (χ), electrophilicity (ω) and nucleophilicity (ε). The theoretical FT-IR spectra were recorded to indicate the presence of the specific bonds in the studied molecules.

P2-NaMnAlO and NaMnO Blend as Cathode Materials for Sodium-Ion Batteries Using a Natural β-MnO Precursor.

Sodium-ion batteries (NIBs) are promising candidates for specific stationary applications considering their low-cost and cost-effective energetic property compared to lithium-ion batteries (LIBs). Additional cost cutbacks are achievable by employing natural materials as active cathode materials for NIBs. In this work, we report the use of natural pyrolusite (β-MnO) as a precursor for the synthesis of a NaMnO blend (a mixture of layered P2-NaMnAlO without any doping technique combined with a post-spinel NaMnO without any high-pressure synthesis).

A Molecule of the Viridomycin Family Originating from a -Related Strain Has the Ability to Solubilize Rock Phosphate and to Inhibit Microbial Growth.

Some soil-borne microorganisms are known to have the ability to solubilize insoluble rock phosphate and this process often involves the excretion of organic acids. In this issue, we describe the characterization of a novel solubilizing mechanism used by a strain related to isolated from Moroccan phosphate mines. This process involves the excretion of a compound belonging to the viridomycin family that was shown to play a major role in the rock phosphate bio weathering process.

1,7,7-Trimethyl-3-(naphthalen-2-ylcarbon-yl)bi-cyclo-[2.2.1]heptan-2-one.

The title compound, CHO, crystallizes in its keto form. The mol-ecules are connected weak C-H⋯O inter-actions, forming infinite chains perpendic-ular to the [001] axis.

Chemically degraded soil rehabilitation process using medicinal and aromatic plants: review.

In recent decades, the increasing number of degraded lands worldwide makes their rehabilitation essential and crucial. Various techniques have emerged to fulfill these needs but most of them are expensive and difficult to be applied. Revegetation is a cost effective, environmental friendly, and aesthetically pleasing approach suitable for degraded areas.

COVID-19 Impact on Neurosurgical Practice: Lockdown Attitude and Experience of a European Academic Center.

Background: The coronavirus disease 2019 (COVID-19) pandemic is an unprecedented challenge. Different models of reorganization have been described aiming to preserve resources and ensure optimal medical care. Limited clinical neurosurgical experience with patients with COVID-19 has been reported.

In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADMET screening.

The new coronavirus SARS-CoV-2 virus is causing a severe pneumonia in human, provoking the serious outbreak epidemic CoV-2. Since its appearance in Wuhan, China on December 2019, CoV-2 becomes the biggest challenge the world is facing today, including the discovery of antiviral drug for SARS-CoV-2. In this study, the potential inhibitory of a class of human SARS inhibitors, namely pyridine N-oxide derivatives, against CoV-2 was addressed by quantitative structure-activity relationship 3 D-QSAR.

Measurement of the Lund Jet Plane Using Charged Particles in 13 TeV Proton-Proton Collisions with the ATLAS Detector.

The prevalence of hadronic jets at the LHC requires that a deep understanding of jet formation and structure is achieved in order to reach the highest levels of experimental and theoretical precision. There have been many measurements of jet substructure at the LHC and previous colliders, but the targeted observables mix physical effects from various origins. Based on a recent proposal to factorize physical effects, this Letter presents a double-differential cross-section measurement of the Lund jet plane using 139  fb^{-1} of sqrt[s]=13  TeV proton-proton collision data collected with the ATLAS detector using jets with transverse momentum above 675 GeV.

Tip-induced oxidation of silicene nano-ribbons.

We report on the oxidation of self-assembled silicene nanoribbons grown on the Ag (110) surface using scanning tunneling microscopy and high-resolution photoemission spectroscopy. The results show that silicene nanoribbons present a strong resistance towards oxidation using molecular oxygen. This can be overcome by increasing the electric field in the STM tunnel junction above a threshold of +2.

Measurement of Azimuthal Anisotropy of Muons from Charm and Bottom Hadrons in pp Collisions at sqrt[s]=13 TeV with the ATLAS Detector.

The elliptic flow of muons from the decay of charm and bottom hadrons is measured in pp collisions at sqrt[s]=13  TeV using a data sample with an integrated luminosity of 150  pb^{-1} recorded by the ATLAS detector at the LHC. The muons from heavy-flavor decay are separated from light-hadron decay muons using momentum imbalance between the tracking and muon spectrometers. The heavy-flavor decay muons are further separated into those from charm decay and those from bottom decay using the distance-of-closest-approach to the collision vertex.

Author Correction: Ultra-small microorganisms in the polyextreme conditions of the Dallol volcano, Northern Afar, Ethiopia.

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

Covalent Versus Non-covalent Enzyme Inhibition: Which Route Should We Take? A Justification of the Good and Bad from Molecular Modelling Perspective.

The pace and efficiency of drug target strategies have been emanating debates among researchers in the field of drug development. Covalent inhibitors possess significant advantages over non-covalent inhibitors, such that covalent warheads can target rare residues of a particular target protein, thus leading to the development of highly selective inhibitors. However, toxicity can be a real challenge related to this class of therapeutics.

Search for Magnetic Monopoles and Stable High-Electric-Charge Objects in 13 Tev Proton-Proton Collisions with the ATLAS Detector.

A search for magnetic monopoles and high-electric-charge objects is presented using 34.4  fb^{-1} of 13 TeV pp collision data collected by the ATLAS detector at the LHC during 2015 and 2016. The considered signature is based upon high ionization in the transition radiation tracker of the inner detector associated with a pencil-shape energy deposit in the electromagnetic calorimeter.

From Isolation of Phosphate Solubilizing Microbes to Their Formulation and Use as Biofertilizers: Status and Needs.

The production of biofertilizers at industrial level is a bottleneck because bacterial strains are generally developed and managed by research laboratories and not by production units. A seamless transition from laboratory to field application is, therefore necessary. This review provides an overview of the constraints that limiting the application or the implementation of based biofertilizers especially in agricultural field and suggests solutions to overcome some of these limits.

Long term osmotic stress exposure outcomes on rat dopaminergic innervations and the associated motor behavior.

The osmotic stress is a powerful stimulus that elicits profound peripheral and central disturbances. In the mammalian brain, osmotic stress has been associated to several glial and neuronal changes. The lack of data regarding the impact on the dopaminergic system and locomotion led us to investigate the effect of prolonged water deprivation in rat on the midbrain dopaminergic system and locomotor performance by dehydrating rats for one and two weeks.

Assessing the impact of global climate changes on irrigated wheat yields and water requirements in a semi-arid environment of Morocco.

The present work aims to quantify the impact of climate change (CC) on the grain yields of irrigated cereals and their water requirements in the Tensift region of Morocco. The Med-CORDEX (MEDiterranean COordinated Regional Climate Downscaling EXperiment) ensemble runs under scenarios RCP4.5 (Representative Concentration Pathway) and RCP8.