Correction to: Discontinuum analysis of the fracture mechanism in masonry prisms and wallettes via discrete element method

Meccanica - Due to an unfortunate turn of events, this article was published with an erroneous version of Figure 11.     

Structure- and ligand- based studies to gain insight into the pharmacological implications of histamine H3 receptor

Structural Chemistry - In the context of unknowing the experimental structure for histamine H3 receptor, which is a potential therapeutical target for numerous disorders and diseases, the...     

Portraying the selectivity of GSK-3 inhibitors towards CDK-2 by 3D similarity and molecular docking

Structural Chemistry - The striking structural resemblance between adenosine triphosphate (ATP) binding sites of glycogen synthase kinase-3 (GSK-3) and cyclin-dependent kinase-2 (CDK-2) raises...     

Alcoholic solvent‐assisted ligand‐free room temperature Suzuki–Miyaura cross‐coupling reaction

We have observed the enhancing effect of alcoholic solvents in palladium‐catalysed ligand‐free Suzuki–Miyaura reactions. No extra additives or ligands are required for the Suzuki–Miyaura reaction of aryl bromides with arylboronic acids when we carried out the reaction in alcoholic or aqueous alcoholic solvents. Moreover, ethanol or aqueous ethanol is found to be a very good solvent for the Suzuki–Miyaura reaction involving electronically diverse aryl bromides and arylboronic acids under mild and ligand‐free conditions with low catalyst loading. It is observed from Hg(0) poisoning tests that the in situ generated palladium(0) species is the actual catalytic species for the reaction. Copyright © 2015 John Wiley & Sons, Ltd.     

An ambient temperature Sonogashira cross-coupling protocol using 4-aminobenzoic acid as promoter under copper and amine free conditions

A new methodology has been developed based on Pd(OAc)₂ and 4-aminobenzoic acid catalytic system for the Sonogashira cross-coupling reaction at ambient temperature under copper and amine free conditions. The newly developed catalytic system is conveniently applicable to the aryl iodides and terminal acetylenes. The catalytic system is much efficient because of the use of easily available and low cost additive.     

Structural, thermal and spectroscopic properties of supramolecular coordination solids

Molecules in metal isonicotinate tetrahydrates, M(NC₅H₄-p-CO₂)₂.4H₂O with M = Mn, Fe, Co, Ni, Cu, Zn, consisting of the hexacoordinate complexestrans-[M(NC₅H₄-p-CO₂)(OH₂)₄], participate in exhaustive hydrogen-bond formation among themselves to lead to a robust 3D supramolecular network in the solid state. Solid-state diffuse reflectance UV-Vis-NIR spectra of the complexes have been assigned to ligand field and charge transfer transitions. Sharp weight loss due to dehydration, as shown by TGA of Cu(NC₅H₄-p-CO₂)₂.4H₂O, suggests the suitability of this complex for the gravimetric estimation of copper.     

The Role of Sulphonamides and N-Sulphonyl Ketimines/Aldimines as Directing Groups in the Field of C−H Activation

Sulphonamides and N-sulphonyl ketimines/aldimines have turned out to be versatile motifs in the field of synthetic and medicinal chemistry. The field of C−H activation/functionalization flourished remarkably due to their synthetic applicability and directing group plays a remarkable role to achieve regioselectivity in these reactions. The current review summarizes recent tactics by utilizing sulphonamides and N-sulphonyl ketimines/aldimines as directing groups for C−H activation or functionalization. As a directing group, they also facilitate site selectivity and late-stage functionalization of drug molecules in order to construct complex scaffolds of therapeutic importance by C−H activation.     

Composition of Essential Oil from the Aerial Part of Aster peduncularis

Chemistry of Natural Compounds -     

Photocatalytic decolouration,degradation and disinfection capability of Ag2CO3/ZnO in natural sunlight

In this study, a series of hybrid Ag₂CO₃/ZnO composites were synthesised via a simple precipitation route and investigated for discolouration-degradation of Methylene Blue and disinfection of Escherichia coli in natural sunlight. It was observed that the photonic efficiency of discolouration was more than 6 times that of the conventionally popular TiO₂, under experimental conditions; 100% Total Organic Carbon reduction was observed in 30 ?min and 32% disinfection in an hour. This upswing in the performance is attributed to favourable modulation of the dynamics of charge transfer. The photocatalysts were characterized by X-Ray Diffraction, Scanning Electron Microscopy, Transmission Electron Microscopy, Brunauer, Emmett and Teller and Ultraviolet–Visible-Near-InfraRed Spectroscopy. An equitable photocatalyst functional mechanism has also been proposed on the basis of Tauc plot and scavenging experiments. The effect of influencing parameters has also been investigated and reported in terms of photonic efficiency. Since the entire study is carried out in direct sunlight, it inherently supports realizable solar energy applications in wastewater treatment.