Tunable optical anisotropy in epitaxial phase-change VO thin films.

We theoretically and experimentally demonstrate a strong and tunable optical anisotropy in epitaxially-grown VO thin films. Using a combination of temperature-dependent X-ray diffraction, spectroscopic ellipsometry measurements and first-principle calculations, we reveal that these VO thin films present an ultra-large birefringence (Δ > 0.9).

Band offset engineering at CN/MSe (M = Mo, W) interfaces.

Stacking layered two-dimensional materials in a type-II band alignment block has provided a high-performance method in photocatalytic water-splitting technology. The key parameters in such heterostructure configurations are the valence and conduction band offsets at the interface, which determine the device performance. Here, based on density functional theory calculations, the bandgap and band offsets at CN/MSe (M = Mo, W) interfaces have been engineered.

Theoretical characterization of the electronic properties of heterogeneous vertical stacks of 2D metal dichalcogenides containing one doped layer.

The rise of van der Waals hetero-structures based on transition metal dichalcogenides (TMDs) opens the door to a new generation of optoelectronic devices. A key factor controlling the operation and performance of such devices is the relative alignment of the band edges of the components. The electronic properties of the layers can be further modulated by chemical doping, typically leading to the introduction of gap states.

Interlayer Bonding in Two-Dimensional Materials: The Special Case of SnP and GeP.

Stacked two-dimensional (2D) heterostructures are evolving as the "next-generation" optoelectronic materials because of the possibility of designing atomically thin devices with outstanding characteristics. However, most of the existing 2D heterostructures are governed by weak van der Waals interlayer interactions that, as often is the case, exert limited impact on the resulting properties of heterostructures relative to their constituting components. In this work, we investigate the optoelectronic properties of a novel class of 2D MP (M = Ge and Sn) materials featuring strong interlayer interactions, applying a robust theoretical framework combining density functional theory and many-body perturbation theory.

Tuning the Optical and Electrical Properties of Few-Layer Black Phosphorus via Physisorption of Small Solvent Molecules.

Black phosphorus (BP) is recently becoming more and more popular among semiconducting 2D materials for (opto)electronic applications. The controlled physisorption of molecules on the BP surface is a viable approach to modulate its optical and electronic properties. Solvents consisting of small molecules are often used for washing 2D materials or as liquid media for their chemical functionalization with larger molecules, disregarding their ability to change the opto-electronic properties of BP.

Carbon microspheres derived from walnut shell: Rapid and remarkable uptake of heavy metal ions, molecular computational study and surface modeling.

Carbon microspheres were synthesized under nitrogen flow from walnut shells (WS) and then used as an adsorbent for the removal of Pb (II), Cu(II), Cr(III) and Cd(II) metals. The prepared material was characterized using X-ray photoelectron spectroscopy, scanning electron microscopy, Brounauer-emett-teller surface, Fourier transform infrared and Raman spectroscopy. SEM micrographs showed homogenous sphere-like structure with an average diameter of 4.

Doping of Monolayer Transition-Metal Dichalcogenides via Physisorption of Aromatic Solvent Molecules.

Two-dimensional (2D) transition-metal dichalcogenides (TMDs) recently emerged as novel materials displaying a wide variety of physicochemical properties that render them unique scaffolds for high-performance (opto)electronics. The controlled physisorption of molecules on the TMD surface is a viable approach for tuning their optical and electronic properties. Solvents, made of small aromatic molecules, are frequently employed for the cleaning of the 2D materials or as a "dispersant" for their chemical functionalization with larger (macro)molecules, without considering their potential key effect in locally modifying the characteristics of 2D materials.

Limbic encephalitis: Experience of a moroccan center.

Objectives: Histologically defined as an inflammation-degeneration of limbic structures, limbic encephalitis (LE) is a rare disease and often difficult to diagnose particularly in institutions with limited access to laboratory tests such as antineuronal antibodies or HSV-PCR, and functional imaging. We aimed to describe the demographic, clinical, paraclinical, and etiological features of LE, as well as its medium-term prognosis in Moroccan patients.

Materials And Methods: We collected retrospectively all patients diagnosed with LE in the Department of Neurology of the University Hospital Hassan II of Fez (Morocco) between September 2008 and December 2016.

Discovery and characterization of AZD9272 and AZD6538-Two novel mGluR5 negative allosteric modulators selected for clinical development.

AZD9272 and AZD6538 are two novel mGluR5 negative allosteric modulators selected for further clinical development. An initial high-throughput screening revealed leads with promising profiles, which were further optimized by minor, yet indispensable, structural modifications to bring forth these drug candidates. Advantageously, both compounds may be synthesized in as little as one step.

4-aryl piperazine and piperidine amides as novel mGluR5 positive allosteric modulators.

Positive allosteric modulation of metabotropic glutamate receptor 5 (mGluR5) is regarded as a potential novel treatment for schizophrenic patients. Herein we report the synthesis and SAR of 4-aryl piperazine and piperidine amides as potent mGluR5 positive allosteric modulators (PAMs). Several analogs have excellent activity and desired drug-like properties.

Decreased susceptibility to teicoplanin and vancomycin in coagulase-negative Staphylococci isolated from orthopedic-device-associated infections.

We studied 315 coagulase-negative Staphylococcus strains recovered prospectively during 240 surgical procedures (206 subjects) from proven or suspected device-associated bone and joint infections. Sixteen strains (5.1%) had decreased susceptibility to glycopeptides: 15 (12 S.

Characterizing the effects of 5-HT(2C) receptor ligands on motor activity and feeding behaviour in 5-HT(2C) receptor knockout mice.

5-HT(2C) receptor agonists have considerable therapeutic potential, however there is little in vivo data to compare the potency and selectivity of 5-HT(2C) receptor agonists. Since 5-HT(2C) receptor agonists reduce locomotor activity and food intake, changes in these drug-induced behaviours in 5-HT(2C) receptor knockout mice could provide a means to examine receptor selectivity in-vivo. Initially this study compared older 5-HT(2C) agonists mCPP and MK212, to newer, apparently more selective compounds: Ro 60-0175, WAY161503, CP809,101 and lorcaserin (APD356) on motor activity in wild-type, and 5-HT(2C) receptor knockout mice.

Recent advances in non-competitive mGlu5 receptor antagonists and their potential therapeutic applications.

Extensive research into the functions of glutamate and glutamate receptors in the central nervous system (CNS) has shown an essential role of metabotropic glutamate (mGlu) receptors in normal brain functions, but also in neurological and psychiatric disorders. The precise functions of these receptors remain undefined, and progress toward understanding their functions has been hampered by the lack of selective ligands with appropriate pharmacokinetic properties. The Group I mGlu receptor, mGlu5, is well positioned to regulate and fine-tune neuronal excitability and synaptic transmission through its modulation of various signal transduction pathways and interactions with other transmitter systems.

2-(Anilino)imidazolines and 2-(benzyl)imidazoline derivatives as h5-HT1D serotonin receptor ligands.

2-(Anilino)imidazolines were identified as novel human 5-HT(1D) receptor ligands, but offered no particular advantage over previously reported 2-(benzyl)imidazolines. Pharmacokinetic and functional data were obtained for selected 2-(benzyl)imidazoline derivatives.

3-(2-pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity human 5-HT(1B/1D) ligands.

A series of 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives (2) has been prepared using parallel synthesis techniques, and their structure-activity relationships studied. High affinity human 5-HT(1B/1D) (h5-HT(1B/1D)) ligands have been identified.

(R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity h5-HT1B/1D ligands.

A series of (R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives (2) have been prepared using parallel synthesis, and their structure-activity relationship studied. High affinity human 5-HT(1B/1D) (h5-HT(1B/1D)) ligands have been identified.

1-(Bicyclopiperazinyl)ethylindoles and 1-(homopiperazinyl)ethyl-indoles as highly selective and potent 5-HT(7) receptor ligands.

A novel series of 1-(bicyclopiperazinyl)ethylindole and 1-(homopiperazinyl)ethyl-indole derivatives was synthesized and found to be potent and selective 5-HT(7) receptor ligands.

Recent advances in 5-HT1B/1D receptor antagonists and agonists and their potential therapeutic applications.

The human 5-HT(1B) and 5-HT(1D) receptors are especially similar in sequence despite being encoded by two distinct genes. Although, human 5-HT(1B) and 5-HT(1D) receptors have been pharmacologically differentiated using nonselective 5-HT(1B/D) receptor antagonists such as ketanserin (1), ritanserin (2) and methiothepin (3), the precise function of these receptors remains undefined, and progress toward this has been hampered by the lack of selective ligands. The interest of the major pharmaceutical companies in 5-HT(1B/1D) antagonists increased by the discovery of potent and selective tools, combined with the fact that the blockade of terminal 5-HT(1B) receptors by selective antagonists has been proposed as a new approach for more efficient and/or fast-acting antidepressant drugs, since the acute blockade of these 5-HT autoreceptors will, in theory, immediately mimic their desensitization.

5,5-Diaryl-2-amino-4-pentenoates as novel, potent, and selective glycine transporter type-2 reuptake inhibitors.

A novel series of 5,5-diaryl-2-amino-4-pentenoates was synthesized and found to be potent and selective glycine transporter type-2 reuptake inhibitors.

Imidazoline-modified benzylimidazolines as h5-HT(1D/1B) serotonergic ligands.

Sumatriptan, a h5-HT1D and h5-HT1B receptor agonist used clinically as a migraine-abortive, produces certain side effects thought to result from its affinity for h5-HT1B receptors. The present investigation extends our work with benzylimidazolines as novel non-tryptamine h5-HT(1D/1B) ligands. The effect of N-methylation, N-benzylation, ring-aromatization, and variation of the imidazoline ring on affinity both at h5-HT1D and h5-HT1B receptors was examined.

N1-(Benzenesulfonyl)tryptamines as novel 5-HT6 antagonists.

N-Benzenesulfonyl-5-methoxy-N,N-dimethyltryptamine (BS/5-OMe DMT; 5) was shown to bind at human 5-HT6 serotonin receptors with high affinity (Ki = 2.3 nM) relative to serotonin (Ki = 78 nM). Structural variation failed to result in significantly enhanced affinity.

6-Bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives as novel, potent, and selective 5-HT6 receptor antagonists.

A novel series of 6-bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives was synthesized and found to be potent and selective 5-HT6 receptor antagonists.

5-Alkyltryptamine derivatives as highly selective and potent 5-HT1D receptor agonists.

A series of 5-alkyltryptamines (6) and the corresponding conformationally constrained analogues (8) have been synthesized. The structure activity relationships (SAR) at the 5-position of the indole skeleton and the ethylamine side chain have been studied. Functional activities were assessed using isolated rabbit saphenous vein.

Pyrrolo[3,2,1-ij]quinoline derivatives, a 5-HT2c receptor agonist with selectivity over the 5-HT2a receptor: potential therapeutic applications for epilepsy and obesity.

A series of pyrrolo[3,2,1-ij]quinoline derivatives was synthesized, evaluated for their activity against the 5-HT2c and 5-HT2a, receptors and found to be agonists at 5-HT2c with selectivity over 5-HT2a.