Polymorphic Signature of the Anti-inflammatory Activity of 2,2′- {[1,2-Phenylenebis(methylene)]bis(sulfanediyl)}bis(4,6- dimethylnicotinonitrile)

Weak noncovalent interactions are the basic forces in crystal engineering. Polymorphism in flexible molecules is very common, leading to the development of the crystals of same organic compounds with different medicinal and material properties. Crystallization of 2,2′- {[1,2-phenylenebis(methylene)]bis(sulfanediyl)}bis(4,6-dimethylnicotinonitrile) by evaporation at room temperature from ethyl acetate and hexane and from methanol and ethyl acetate gave stable polymorphs 4a and 4b, respectively, while in acetic acid, it gave metastable polymorph 4c. The polymorphic behavior of the compound has been visualized through singlecrystal X-ray and Hirshfeld analysis. These polymorphs are tested for anti-inflammatory activity via the complete Freund’s adjuvant-induced rat paw model, and compounds have exhibited moderate activities. Studies of docking in the catalytic site of cyclooxygenase-2 were used to identify potential anti-inflammatory lead compounds. These results suggest that the supramolecular aggregate structure, which is formed in solution, influences the solid state structure and the biological activity obtained upon crystallization

Straightforward and Efficient Protocol for the Synthesis of Pyrazolo [4,3-<i>b</i>]pyridines and Indazoles

An efficient method for the synthesis of pyrazolo [4,3-b]pyridines has been developed on the basis of readily available 2-chloro-3-nitropyridines via a sequence of SNAr and modified Japp–Klingemann reactions. The method offers a number of advantages including utilization of stable arenediazonium tosylates, operational simplicity as well as combining the azo-coupling, deacylation and pyrazole ring annulation steps in a one-pot manner. An unusual rearrangement (C-N-migration of the acetyl group) was observed and a plausible mechanism was proposed based on the isolated intermediates and NMR experiments. In addition, the developed protocol was successfully applied to the synthesis of 1-arylindazoles combining the Japp–Klingemann reaction and cyclization of the resulting hydrazone as a one-pot procedure

Nucleophilic Functionalization of 2-R-3-Nitropyridines as a Versatile Approach to Novel Fluorescent Molecules

A number of new 2-methyl- and 2-arylvinyl-3-nitropyridines were synthesized and their reactions with thiols were studied. It was found that 3-NO2 tends to be selectively substituted under the action of sulfur nucleophiles in the presence of another nucleofuge in position 5. Correlations between the substitution pattern and regioselectivity as well as photophysical properties were established. Some synthesized compounds possessed a large Stokes shift

Crystal structure of bis(μ2-methanolato-κO:κO)hexamethylbis(μ2-triphenylacetato-κO:κO′)bis(μ2-triphenylacetato-κ2O,O′:κO)dialuminiumdilanthanum toluene tetrasolvate

The title compound, [Al2La2(C20H15O2)4(CH3)6(CH3O)2]·4CH3C6H5 or [{La(Ph3CCOO)2(Me3AlOMe)}2]·4CH3C6H5, was formed in a reaction between lanthanum tris(tetramethylaluminate) and triphenylacetic acid (1:1) with unintended partial oxidation. The triphenylacetate ligand exhibits μ2-κ1O:κ1O′ bridging and μ2-κ2O,O′:κ1O semi-bridging coordination modes, forming a dimeric La2(μ-OCO)4 core. The semi-bridging triphenylacetate group provides additional bonding with an La3+ cation via the π-system of one of its phenyl rings. The trimethylmethoxyaluminate anion, which is coordinated to the La3+ cation by its O atom, displays a rather long La—CMe bond. Two toluene molecules are each disordered over two orientations about centres of symmetry with site occupancy factors of 0.5. The title compound represents the first example of an LnIII complex containing both alkyl alkoxide aluminate and π-bounded arene fragments

AVATAREX:telexistence system based on virtual avatars

Abstract The telexistence technology can provide many kinds of benefits for the society. These include new ways of remote work, empowerment of handicapped and elderly people, and creation of new immersive and environmentally-friendly forms of tourism, travel, shopping, sports and leisure time activities. In this paper, we introduce AVATAREX, a telexistence system based on virtual avatars. AVATAREX provides means for connecting users that are simultaneously occupying the same space in the real world and its virtual replica. Using an indoor prototype implementation of AVATAREX and a simple collaborative game, we investigated how users experience co-presence in a telexistence system based on virtual avatars and measured the performance of AVATAREX on high-end smart glasses. Based on our findings, users wearing virtual reality gear reported a stronger sense of co-presence compared to users wearing augmented reality gear. Unexpectedly, users wearing smart glasses reported a lower sense of co-presence than users using a tablet for augmented reality experience

1,1'-Diphenyl-bis(silatrane) as the First Structurally Characterized bis(silatrane)

International audience1,1'-Diphenyl-bis(silatrane) (I) was obtained by the reaction of tris(1,3-dihydroxypropan-2-yl)amine (L) with PhSi(OEt)(3) in toluene. The molecular structure of complex I was established by X-ray diffraction (CIF file CCDC no. 2078347). Study of the redox properties of new bis(silatrane) I demonstrated that its radical ions generated by cyclic voltammetry are stable since the radical center located on the nitrogen atom is sterically protected within the bis(atrane) cage