Expedient Protocols for the Installation of 1,5‐benzodiazepine‐based Privileged Templates on 2‐position of α, β‐enone Incorporated Derivatives of the 1,4‐benzodiazepine Nucleus Linked Through a Phenoxyl Spacer

Exceedingly facile single‐step expedient protocols based on the versatility and reactivity of corresponding intermediate chalcone ( 8 ), derived from 2‐(4′‐acetylphenoxyl) substituted analogue ( 6 ) have been developed to provide an easy installation of the 1,5‐benzoazepine‐based ( 9 , 10 , 11 , 12 , 13 , 14 ) privileged templates at 2‐position of 5‐carboxamido‐1,4‐benzodiazepin‐5‐(4′‐methylpiperazinyl)‐carboxamide ( 4 ), through a phenoxyl spacer, by utilizing the synthetic strategy depicted in Schemes  1 and 2 .     

Thiourea Based Dipodal Receptor Development for Electrochemical Detection of Br− Ion in an Aqueous Medium

Thiourea based dipodal receptor ( R1 ) was developed and characterised using ¹H NMR, ¹³C NMR and mass spectroscopy. Using re‐precipitation method, R1 was processed into organic nanoparticles ( N1 ), evaluated its sensor activity in aqueous medium. The prepared N1 were characterized using Transmission Electron Microscopy (TEM) which shows 30 nm size. Dynamic Light Scattering (DLS) was employed for calculating average particle size. To imply N1 as sensor, its interaction with various anions was studied and found reasonable selectively for Br^? ions with detection limit of 3.79 nM. For real life analysis, involving determining Br^? from environmental samples, proposed sensor works successfully with accuracy more than 95 %.     

Identification of new dual spleen tyrosine kinase (Syk) and phosphoionositide-3-kinase δ (PI3Kδ) inhibitors using ligand and structure-based integrated ideal pharmacophore models

Owing to the complex pathophysiology of autoimmune disorders, it is very challenging to develop successful treatment strategies. Single-target agents are not desired therapeutics for such multi-factorial disorders. Considering the current need for the treatment of complex autoimmune disorders, dual inhibitors of Syk and PI3Kδ have been designed using ligand and structure-based molecular modelling strategies. In the present work, structure and ligand-based pharmacophore modelling was implemented for a varied set of Syk and PI3Kδ inhibitors. Ligand-based pharmacophore models (LBPMs) were developed for two kinases: ADPR.14 (r²_train = 0.809) for Syk, comprising one hydrogen bond acceptor, one hydrogen bond donor, one positive ionisable and one ring aromatic feature, and for PI3Kδ: AAARR.45 (r²_train = 0.942) consisting of three hydrogen bond acceptor and two ring aromatic features. The generated e-pharmacophore models revealed an additional ring aromatic and hydrophobic feature important for Syk and PI3Kδ inhibition, respectively. Subsequently, LBPMs were modified resulting in APDRR.14 hypothesis for Syk inhibitors and AAAHRR.45 hypothesis for PI3Kδ inhibitors employed for virtual screening. Thus, the combination of ligand and structure-based pharmacophore modelling helped in developing ideal pharmacophore models that may be an efficient tool for the designing of novel dual inhibitors of Syk and PI3Kδ.     

Octahedral titanium(IV) complexes with five novel hydroximic acid ligands: Synthesis,spectroscopic characterization,and <Emphasis Type="Italic">in vitro</Emphasis> activities on IMR-32 and CHO cell lines and ten bacterial strains

Complexes with the composition TiCl₄L₂ where L = benzohydroxamic acid, 2-hydroxybenzo-hydroxamic acid, acetohydroxamic acid, hydroxyurea, and N-hydroxy-N-phenylbenzamide have been synthesized by reaction of titanium tetrachloride with 2 equiv of the corresponding hydroxamic acids. The structure of these complexes has been studied by analytical and spectroscopic (FT-IR, UV-Vis, MS, ¹H and ¹³C NMR) techniques. The free ligands and the complexes have been tested in vitro to evaluate their activities against IMR-32 (neuroblastoma) cancer cell line, CHO p-40 (Chinese hamster ovary) normal cells, and ten pathogenic bacterial strains.     

Reversible Fluorescent Probes for Biological Redox States

The redox chemistry of the cell is key to its function and health, and the development of chemical tools to study redox biology is important. While fluxes in oxidative state are essential for healthy cell function, a chronically elevated oxidative capacity is linked to disease. It is therefore essential that probes of biological redox states distinguish between these two conditions by the reversible sensing of changes over time. In this review, we discuss the current progress towards such probes, and identify key directions for future research in this nascent field of vital biological interest.     

Benign Approaches for the Microwave‐assisted Synthesis of Five‐membered 1,2‐N,N‐heterocycles

The development of new strategies for the synthesis of small‐sized heterocycles has remained a highly attractive but challenging proposition. An overview of the application of microwave irradiation in the synthesis of two nitrogen atoms containing five‐membered heterocyclic compounds is presented, focusing on the developments in the last 5–10 years. This contribution covers the literature concerning the total synthesis of five‐membered 1,2‐N,N‐heterocycles.     

Silica supported Br?nsted acids as catalyst in organic transformations:A comprehensive review

Br?nsted acid catalysts have been used in a number of organic transformations. To overcome limi‐tations, such as toxicity, volatility, high price and hazardous nature of the conventional methods, the c...     

Nanohybrid Chemosensor for the Simultaneous Detection of Fluoride and Iodide in Aqueous System and Its Utility in Real Samples

A nanohybrid chemosensor for specific, selective and simultaneous recognition of iodide and fluoride was prepared through decoration of silver nanoparticles onto Schiff‐Base based organic nanoparticles. The developed chemosensor showed specific recognition ability for this analytes at low concentrations with detection limits at 690 nM for fluoride and 11 nM for iodide in two different regions of DPV profiles. Theoretical calculations based in Density Functional Theory were performed, which supports experimental results by demonstrating the binding selectivity of nanohybrids with I^? and F^?. The proposed sensor was also used for real sample analysis and results were verified using some standard literature method.     

Electron‐Poor Thiophene 1,1‐Dioxides: Synthesis,Characterization, and Application as Electron Relays in Photocatalytic Hydrogen Generation

The synthesis and characterization of electron‐poor thiophene 1,1‐dioxides bearing cyanated phenyl groups are reported. The electron‐accepting nature of these compounds was evaluated by cyclic voltammetry, and highly reversible and facile reductions were observed for several derivatives. Moreover, some of the reduced thiophene dioxides form colorful anions, which were investigated spectroelectrochemically. Photoluminescence spectra of the electron‐deficient sulfones were measured in CH₂Cl₂, and they emit in the blue‐green region with significant variation in the quantum yield depending on the aryl substituents. By expanding the degree of substitution on the phenyl rings, quantum yields up to 34 % were obtained. X‐ray diffraction data are reported for two of the thiophene 1,1‐dioxides, and the electronic structure was probed for all synthesized derivatives through DFT calculations. The dioxides were also examined as electron relays in a photocatalytic water reduction reaction, and they showed potential to boost the efficiency.     

Phase stabilisation of blue-phase liquid crystals using a polymerisable chiral additive

We report a novel polymer stabilisation of blue phase by a chiral agent itself without additional reactive monomers. In this way, the structural difference in phase stabilisation gives rise to novel electro-optic properties such as the hysteresis-free with low-operating voltages. The number of constituents in polymer-stabilised blue-phase mixture is reduced and the polymer network more directly engages the structure of the blue phase, so that the hysteresis is free with less contamination for liquid crystals to be rearranged by electric fields. Also, relatively low operating voltage is achieved because the chiral pitch becomes longer owing to the chiral agent becoming polymerised. This result would open up an innovative way from a material perspective on stabilisation of blue-phase liquid crystals.