Synthesis and physicochemical, DFT, thermal and DNA-binding analysis of a new pentadentate NS Schiff base ligand and its [CuNS] complexes.

A new NS pentadentate Schiff base ligand derived from 5-bromothiophene-2-carbaldehyde, ()-1-((5-bromothiophen-2-yl)methylene)-2-(2-(()-((5-bromothiophen-2-yl)-methylene amino) ethyl ethane-1,2-diamine, is prepared. The ligand and its complexes are subjected to extensive physical and theoretical analyses and the results are consistent with their predicted compositions. Dicationic Cu(ii) complexes ([CuNS]X) with a coordination number of 5 are proposed on the basis of the spectral data with NS serving as a pentadentate ligand.

Discovery of hydrazide-based pyridazino[4,5-]indole scaffold as a new phosphoinositide 3-kinase (PI3K) inhibitor for breast cancer therapy.

Herein, the mono and dialkylation of pyridazino[4,5-]indole were achieved with a set of alkylating agents, including amyl bromide, allyl bromide, benzyl bromide and ethyl chloroacetate in the presence of KCO/acetone or KOH/DMSO. The hydrazinolysis of mono and di-esters 10 and 11 gave the target hydrazides 12 and 13, which displayed promising, potent, and significant cytotoxic activity against the MCF-7 cell line with IC values of 4.25 and 5.

Synthesis and amide imidic prototropic tautomerization in thiophene-2-carbohydrazide: XRD, DFT/HSA-computation, DNA-docking, TG and isoconversional kinetics FWO and KAS models.

Thiophene-2-carbohydrazide as a novel small-molecule amide tautomer has been synthesized with an acceptable yield under microwave radiation (MW) conditions. The amide imidic thiophene-2-carbohydrazide prototropic tautomerization single proton intramigration was computed using the DFT B3LYP/6-311G(d,p) level of theory. The -isomer amide structure of thiophene-2-carbohydrazide was proved by XRD and is considered to be the kinetically favored isomer.

Synthesis and Inhibitory Effect of Some Indole-Pyrimidine Based Hybrid Heterocycles on α-Glucosidase and α-Amylase as Potential Hypoglycemic Agents.

The Michael addition reaction of barbituric acid with chalcones incorporating the indole scaffold was achieved by using a highly efficient bimetallic Iron-palladium catalyst in the presence of acetylacetone (acac). This catalytic approach produced the desired products in a simple operation and low catalyst loading with acceptable yield of the new hybrids. All tested compounds were subjected for biological activity on α-glucosidase and α-amylase.

Ru(ii)-N-heterocyclic carbene complexes: synthesis, characterization, transfer hydrogenation reactions and biological determination.

A series of ruthenium(ii) complexes with N-heterocyclic carbene ligands were successfully synthesized by transmetalation reactions between silver(i) N-heterocyclic carbene complexes and [RuCl(-cymene)] in dichloromethane under Ar conditions. All new compounds were characterized by spectroscopic and analytical methods. These ruthenium(ii)-NHC complexes were found to be efficient precatalysts for the transfer hydrogenation of ketones by using 2-propanol as the hydrogen source in the presence of KOH as a co-catalyst.

Discovery of diazahexa/hepta cyclic cage-like compounds with broad-spectrum antifungal activity against and species.

Invasive fungal infections caused by and species lead to life threating infections in immunocompromised individuals. Furthermore, increasing incidence of fungal strains resistant to FDA-approved antifungal drugs along with the paucity of antifungal drugs warrants novel drugs to treat invasive fungal infections. In this study, we investigated the antifungal activity of a novel series of diazahexa/hepta cyclic cage-like compounds.

Influence of composition on the external quantum efficiency of reduced graphene oxide/carbon nanoparticle based photodetector used for human body IR detection.

Here, we developed an efficient infrared (IR) detector comprising reduced graphene oxide (RGO) and carbon nanoparticles (CNPs) for detecting human body IR radiation under ambient conditions. The RGO/CNP nanocomposite thin-film based photodetectors were assembled a simple solution-phase cost-effective route with different concentrations of RGO solution while keeping CNP concentration constant. Three RGO/CNP nanocomposite photodetector devices were fabricated with three different concentrations of RGO (keeping CNP concentration constant) and their photoresponse properties have been studied.

Microwave plasma-assisted silicon nanoparticles: cytotoxic, molecular, and numerical responses against cancer cells.

Silicon nanoparticles (SiNPs), which have a special place in material science due to their strong luminescent property and wide applicability in various physicochemical arenas, such as solar cells and LEDs, were synthesised by a microwave plasma-assisted process using an argon-silane mixture. Several characterization tools were applied to check the crystallinity (XRD) and morphological (FESEM, TEM, ∼20 ± 2 nm size) and topographical (AFM, ∼20 nm) details of the NPs. The high-purity SiNPs were applied on myoblast cancer cells to investigate the reactivity of the NPs at different doses (200, 1000 and 2000 ng mL) for different incubation periods (24 h, 48 h & 72 h).

Highly functionalized pyrrolidine analogues: stereoselective synthesis and caspase-dependent apoptotic activity.

Novel spiropyrrolidine heterocyclic hybrids were synthesized for the first time in a sustainable fashion employing a 1,3-dipolar cycloaddition strategy to form a new class of azomethine ylides generated from tyrosine and acenaphthenequinone. Following their synthesis and characterization, these heterocyclic hybrids were tested for their anticancer activities by incubation at different concentrations and durations with different cancer and non-cancer cell cultures, and the results indicated a potential therapeutic activity. Further analysis of cancer cell death revealed that it occurred through a caspase-related apoptotic pathway, specifically mediated by caspase-3.

Lyotropic 'hairy' TiO nanorods.

We report the synthesis of the first stable, solution-processable and photocrosslinkable hybrid organic/inorganic titanium dioxide nanorods as 'hairy rods' coated with phosphonate ligands with photoreactive coumarin groups located in a terminal position. The relationships between the chemical structure of the diethyl-ω-[(7-oxycoumaryl)--alkyl]phosphonate ligands on the ligand exchange rate (LER) and the solubility of the resultant ligand-stabilized titanium dioxide nanorods in organic solvents are elucidated. These TiO nanorods, with an organic ligand coating, are short enough (aspect ratio = 5-8) to be dissolved in chlorobenzene at high concentrations, but long enough to form lyotropic nematic liquid crystals.

Hematite iron oxide nanoparticles: apoptosis of myoblast cancer cells and their arithmetical assessment.

Hematite (α-FeO) forms iron oxide nanoparticles (NPs) which are thermally stable and have various electrochemical and optochemical applications. Due to their wide applicability, the present work was designed to form the hematite phase of iron oxide (αFeONPs) NPs prepared a solution process. Their cytological performance was checked with C2C12 cells.

ACI/EG eutectic mixture mediated synthesis, characterization and osteoblast differentiation assessment of spiropyrrolo[1,2-]isoquinoline analogues.

An eco-friendly acetylcholine iodide-ethylene glycol (ACI/EG) deep eutectic mixture mediated green protocol has been developed for the synthesis of hitherto unexplored multi-functionalized linear tricyclic spiropyrrolo[1,2-]isoquinoline analogues. The effects of the synthesized compounds on the osteoblast differentiation of hBMSC-TERT cell lines were investigated and promising results were observed with significant IC values. In addition, molecular modeling simulations were also performed with the 3D structure of BMP-2 to reveal binding interactions and orientations of highly potent spiropyrrolo[1,2-]isoquinoline analogues.

Substituted spirooxindole derivatives as potent anticancer agents through inhibition of phosphodiesterase 1.

Spirooxindole is a promising chemo therapeutic agent. Possible targets include cancers of the liver, prostate, lung, stomach, colon, and breast. Here, we demonstrate a one-pot three-component reaction a [3 + 2] cycloaddition/ring contraction sequence of a dipolarophile (activated alkene) with -generated azomethine ylide (1,3-dipoles) without the use of any catalyst.

Comprehensive exploration of the anticancer activities of procaine and its binding with calf thymus DNA: a multi spectroscopic and molecular modelling study.

Procaine is an anesthetic drug commonly administrated topically or intravenously for use in local anesthesia. Promisingly, some anticancer activities of procaine have also been reported. Therefore, the mechanism of interaction between anesthetic drug procaine with ct-DNA was determined collectively by means of various spectroscopic and molecular docking methods.

Tetrahydropyranyl: A Non-aromatic, Mild-Acid-Labile Group for Hydroxyl Protection in Solid-Phase Peptide Synthesis.

The use of the tetrahydropyranyl (Thp) group for the protection of serine and threonine side-chain hydroxyl groups in solid-phase peptide synthesis has not been widely investigated. Ser/Thr side-chain hydroxyl protection with this acid-labile and non-aromatic moiety is presented here. Although Thp reacts with free carboxylic acids, it can be concluded that to introduce Thp ethers at the hydroxyl groups of N-protected Ser and Thr, protection of the C-terminal carboxyl group is unnecessary due to the lability of Thp esters.

Understanding Tetrahydropyranyl as a Protecting Group in Peptide Chemistry.

Tetrahydropyranyl (Thp) is recognized as a useful protecting group for alcohols in organic synthesis. It has several advantages, including low cost, ease of introduction, general stability to most non-acidic reagents, it confers good solubility, and the ease with which it can be removed if the functional group it protects requires manipulation. However, little attention has been paid to Thp in peptide chemistry.

Mechanism of the Transmetalation of Organosilanes to Gold.

Density functional theory (DFT) calculations were carried out to study the reaction mechanism of the first transmetalation of organosilanes to gold as a cheap fluoride-free process. The versatile gold(I) complex [Au(OH)(IPr)] permits very straightforward access to a series of aryl-, vinyl-, and alkylgold silanolates by reaction with the appropriate silane reagent. These silanolate compounds are key intermediates in a fluoride-free process that results in the net transmetalation of organosilanes to gold, rather than the classic activation of silanes as silicates using external fluoride sources.