Abstract An expeditious, metal-free protocol has been demonstrated for the synthesis of isoxazolone derivatives using domino multi-component strategy. The envisaged methodology involves the L-valine promoted three-component cyclo-condensation reaction of alkylacetoacetates, hydroxylamine hydrochloride and aldehydes in ethanol under reflux. The reaction proceeded to deliver the desired products in good

Abstract Some of the chalcones and flavones are very efficient to facilitate the signal of death to the lung cancer cell through blocking the active site BH3 of Bcl-2 proteins. We designed a number of novel chalcones and flavones targeting the active site of the protein. Docking study showed that the designed compounds were very efficient as the reported compounds. We synthesized and characterized

Abstract Amyloids, a well-ordered β-sheet-enriched structural network, can be broadly defined as insoluble protein aggregates that are linked to a wide variety of diseases including systemic amyloidosis and some neurodegenerative disorders. Ferulic acid (FA), a phenolic acid, abundant in antioxidant and efficient pharmaceutical has beneficial effects against several ailments. Based on this, we have

Abstract In this work, we evaluated the antiproliferative and anti-inflammatory activities of two diosgenin prodrugs. The prodrugs were obtained by esterification of diosgenin at position 3 with 4-oxo-4-(prop-2-yn-1-yloxy)butanoic acid followed by click reaction on terminal alkyne with 3-azidopropan-1-ol N-alkylated dendrons, resulting in a prodrug with methyl ester end-groups and a derivative with

Abstract A polyelectrolyte complex (PEC) made up of poly(di-allyl di-methylammonium chloride) and poly(styrene sulphonate) polyelectrolytes has been synthesised and used for the immobilisation of phosphomolybdate (PMo), \( \left[ {{\text{PMo}}_{12} {\text{O}}_{40} } \right]^{ 3- } \) nanoclusters. The material is characterised by FTIR, powder XRD, SEM, TEM and UV-Visible DRS spectroscopy. It was found

Abstract The novel energetic triblock copolymer of polypropylene glycol-glycidyl azide polymer-polypropylene glycol (PPG-GAP-PPG) (\( \bar{M}_{\text{n}} \) = 1639 g·mol−1) was synthesized and optimized by cationic ring-opening polymerization of propylene oxide using low-molecular-weight glycidyl azide polymer (GAP) (\( \bar{M}_{\text{n}} \) =1127 g·mol−1) as the initiator and boron trifluoride etherate

Abstract This report describes the synthesis and structural characterizations of three new complexes; [Na3Fe2(bbp)(Hbbp)(CN)6(H2O)9]·4H2O (1), (Bu4N)[Fe(bbp)2]·3CH3OH·2H2O (2), and a cyano-bridged dinuclear copper(II) complex, [Cu2(tren)2(CN)][Fe(bbp)2]3· 6CH3OH·4H2O (3), where H2bbp = bis(2-benzimidazolyl)pyridine and tren = tris(2-aminoethyl)amine. X-ray crystallography reveals that the geometry

Abstract Here reports a hollow cube NiCo2S4 nanomaterial, which was prepared via facile hydroxylation and sulfuration steps using the self-prepared ZIF-67 as a precursor. This kind of NiCo2S4 as an electrode material for supercapacitor presents a specific capacitance high up to 1350 F g-1 at 1 A g-1 due to the contribution of pseudocapacitance. Particularly, the hybrid supercapacitor PC//NiCo2S4, assembled

Abstract New steroidal D-homo androstane derivatives with 5β,6β-epoxy-3,16-dicarbonyl, 6α- and 6β-hydroxy-3,16-dicarbonyl and 3β,5α-dihydroxy-6,16-dicarbonyl moieties were synthesized and confirmed by NMR spectroscopy. Novel and starting compounds were evaluated for their potential cytotoxicity in vitro against seven human cancer cell lines (MCF-7, MDA-MB-231, PC3, HeLa, HT-29, A549 and CEM) and one

Abstract The quinazoline-2,4-diones scaffold is found in bioactive compounds, commercial drugs and exhibit important biological activities. However, their antidiabetic activity is rarely explored. For this purpose, an easy one-pot three-components and straightforward synthesis of 3-substituted quinazoline-2,4-diones was designed, in both, the catalyst- and solvent-free conditions under microwave irradiation

Abstract The metal–organic frameworks (MOFs) or porous coordination polymers (PCPs) are a class of porous, crystalline material with numerous possibilities of real-world applications including storage, separation, catalysis, sensing etc. The possibility of intrinsic crystallinity and virtually infinite metal/metal-oxo node and organic linker combination make it a perfect material for photophysical

Abstract Ever since the halogen dance reaction was discovered by Bunnet et al, synthetic chemists have utilized the transformation in many desirable ways to build substituted heterocyclic target molecules of all kind. Using DFT-Cam-B3LYP/ land2dz computations and focused on Hannes Frohlich et al. Halogen Dance (HD) reactions of bromothiophenes, a new bromo-bridged Transition State (TS) is proposed

Abstract Synthetic efforts toward the synthesis of (+)-lyconadin A are described. B-Alkyl Suzuki coupling is utilized for combining 2-iodo cyclohexenone with the piperidine subunit. The piperidine subunit is derived from 5-bromo-3-nicotinic acid, and iodo cyclohexenone from commercially available (R)-pulegone. An intramolecular Michael reaction is employed for the creation of the C6-C7 bond. Graphic

Abstract A Protein Data Bank study was conducted to check the role of C-halogen(X)…pi interactions (X = F, Cl, Br, I) in nucleic acids. The presence of halogens can be attributed to not only the modified residues of the nucleic acid but also the ones associated with the ligand. The study reports the presence of bromine amongst modified residues of the nucleic acid being the maximum than any other halogens

Abstract A powerful analgesic, anti-inflammatory and antimicrobial drug was developed by synthesizing a set of new indole-2,3-dione derivatives. The chemical structures of the synthesized derivatives were confirmed by spectroscopic and elemental analyses. Tail flick method, carrageenan-induced foot paw edema technique and agar streak dilution methods were employed to evaluate analgesic, anti-inflammatory

Abstract Trivalent lanthanide ions show interesting optical properties. Keeping this in view, five Sm(III) complexes were synthesized using 4-oxo-4H-1-benzopyran-3-carboxaldehyde (L) as primary ligand along with 1,10-Phenanthroline (Phen); Bipyridine (Bipy); Bathophenanthroline (Bathophen) and Neocuproine (Neo) as secondary ligands. Characterizations of prepared complexes were carried out by means

Abstract N-alkylation of heterocycles with 1,3-dibromopropane using Schiff base Co(II), Ni(II), Cu(II) and Zn(II) transition metal complexes as a catalyst was studied in 1:1 and 2:1 coupling ratios under mild conditions. It was observed that all the complexes worked as efficient catalyst with product yield 78–92% for coupling ratio 1:1 and product yield 63–78% for coupling ratio 2:1. N-alkylation of

Abstract A simple, selective and rapid determination procedure for Th, Zr and Sc in rock samples using adsorbent silica modified with arsenazo-III is described. Silica modified with arsenazo-III (SAR-III) was synthesised by a single step process in presence of cationic surfactant cetyltrimethylammonium bromide. Effect of pH, amount of adsorbent, contact time for adsorption and the optimum eluent for

Abstract This study demonstrates the design, synthesis and sensing applications of a simple and efficient chemosensor, 2-(1,3-dioxo-1H-inden-2(3H)-ylidene)hydrazinecarbothioamide (R) for quick detection of Hg2+ and F− in aqueous media using a colorimetric test, UV–Vis spectral analysis, and silica gel support. Sensor R showed the typical absorption peak at 305 nm for Hg2+ which is responsible for color

Abstract A novel route for the preparation of 2H-1,4- benzoxazin-3(4H)one and 1,5 benzoxazepinones by intramolecular cyclization of N-hydroxy 2-phenoxyacetamide and N-hydroxy -3 phenoxypropanamide using PPA and Lewis acid has been discussed. Graphical abstract Preparation of 2H-1,4- benzoxazin-3(4H)one and 1,5 benzoxazepinones by electrophilic aromatic substitution from N-hydroxy 2-phenoxyacetamide

This study reports the development of a novel substituted hydrazone prepared from 2-hydroxy-4,5-dimethylacetophenone and hydrazine in alkaline medium at controlled conditions which yields as corresponding hydrazone [(E)-2-(1-hydrazonoethyl)-4,5-dimethylphenol]. The structure of synthesized (E)-2-(1-hydrazonoethyl)-4,5-dimethylphenol was elucidated by elemental analysis and spectroscopic techniques

Abstract Novel film catalysts of the polystyrene (Ps) and trimethyl phosphate (P) nanoparticles were synthesized on glass substrates by soft chemistry using doctor blade method. Subsequently, the prepared Ps–P film catalysts were characterized by various techniques, including fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR), density (d), polarizing microscope (PM), X-ray

Abstract In this work, we report the synthesis of new pyrazole derivatives bearing amide and sulfonamide frameworks from aza-aurones. Firstly, the intermediate spiropyrazolines were obtained through a highly regioselective 1,3-dipolar cycloaddition of nitrilimines with aza-aurones. Subsequently, the obtained cycloadducts were subjected to hydrochloric acid in hot ethanol which conducts to 5-(2-aminobenzoyl)-3

Abstract A 3D neutral porous MOF (1), [Co2(tdc)2(Hdatz)·DMF(H2O)3]n (H2tdc = 2,5-thiophenedicarboxylic acid, Hdatz = 3,5-diamino-1,2,4-triazole), which has aplenty micropores along with free groups of NH2 was assembled via combining 2,5-thiophenedicarboxylic acid ligands and nitrogen-rich 3,5-diamino-1,2,4-triazole as well as Co(II) ion. The activated MOF (1a) has a fine affinity for CO2 molecules

Abstract This study reports a simple process to synthesize and separate of 2-(substituted-phenyl) benzimidazole derivatives with high yield and efficiency. Specifically, by reacting ortho-phenylenediamines with benzaldehydes using sodium metabisulphite as an oxidation agent in a mixture of solvent under mild condition, twenty-three compounds of benzimidazoles were obtained and separated easily using

Abstract A novel conjugated Schiff base-based chemosensor DAP, N′-((1E,2E)-3-(4-(dimethylamino)phenyl)allylidene)-3-nitrobenzohydrazide, has been synthesized. DAP showed significant selectivity toward mercury ion by color change of pale yellow to orange. Detection limit was 0.11 μM, which is lower than the value (2.48 μM) recommended by Health Canada. DAP could recognize and quantify mercury ion in

Abstract A procedure for the expedient synthesis of well-characterized Cu(I) oxide nanoparticles (Cu2ONPs) from Cu(II) salts by employing Rice (Oryza sativa) as a cheap and ready source of reducing as well as stabilizing agent has been demonstrated. The judicious choice of rice as a catalyst has helped in the symbiotic combination of two events: viz., acidic hydrolysis of starch to form glucose and

Abstract We report herein the synthesis, quantum chemical electronic structure, Hirshfeld surface and molecular docking studies of 3-anisaldehyde thiosemicarbazone (I). The compound has been characterized by NMR (1H, 13C) and IR spectroscopy. Hirshfeld surface analysis has been performed to understand the intermolecular interactions. The quantum chemical calculations show good consistency between the

Abstract Correlation between the donor strength of N-heterocyclic carbenes (NHC) and the M–Ccarbene bond distances in complexes of the type trans-[MX2(iPr2-bimy)(NHC)] (MX2 = PtCl2, PdBr2; iPr2-bimy = 1,3-diisopropylbenzimidazolin-2-ylidene) and [Au(iPr2-bimy)(NHC)]+ was investigated for a selection of 20 carbenes. The structures of the complexes were first optimized in gas phase. The bond lengths

Abstract Silver nanoparticles were synthesized in green route with non-hazardous polyvinyl alcohol and polyvinylpyrrolidone as stabilizing as well as reducing agents and water as green solvent. This silver nanoparticle-embedded polymer composite film, Ag/PVA–PVP was characterized by UV–Vis spectroscopy, SEM and TEM. The catalytic activity of this film was evaluated in reduction of p-nitrophenol, acylation

Abstract An efficient and inexpensive method for the N-alkylation of pyrimidines using ammonium sulfate coated Hydro-Thermal-Carbone (HTC) (AS@HTC) as reused heterogeneous catalyst was developed. The catalyst was characterized by several analytical techniques such as SEM, XRD, and FTIR. The effect of various parameters was studied including catalyst loading, mole ratio, to achieve excellent selectivity

Abstract An efficient, atom economical, one-pot synthesis of endo’- selective (dispiro 3,2′-pyrrolidinyl) bisoxindole containing three contiguous chiral stereocenters with two contiguous quaternary spirostereo centers have been achieved by three-component reaction of isatins, malononitrile (cyanoacetic ester) and 1,3-dicarbonyl compounds in water in the presence of L-proline. One-pot, azomethine ylide

Abstract An efficient, fast, and straightforward procedure for the synthesis of arylazoxy sulfides can be achieved by coupling reaction between aryl nitrasocompounds and tribenzenesulphenamide under microwave irradiation. Using the present method, different kinds of aryl nitrasocompounds containing various dioxolane rings and various tribenzenesulphenamide derivatives were rapidly converted to the

Abstract The synthesis of new porphyrin complexes that can absorb light in a broad range of the spectrum is very important for getting a high efficiency in dye-sensitized solar cells. The primary reason for using these complexes is good photophysical characteristic like good absorption and high quantum efficiency. Most of the metal porphyrin shows good photophysical characteristics with changing their

Abstract Hybrid organic-inorganic halide perovskites as promising solar cell materials have great concern on their stability. Recently, all-inorganic perovskite CsPbI2Br has been considered as a first-class alternative with good stability as well as a suitable bandgap, and the highest solar cell efficiency has been achieved up to 16%. Using the first-principles calculations, we found that (i) CsPbI2Br

Abstract Three Tetrathiafulvalene (TTF)-assembled thiophene molecules were synthesized with the different linkages of σ bridge via Steglich esterification and classical SN2 reaction. The results of UV and CV showed the different substitution effects existed in the new molecules formed by the molecule assembling. Among the new molecules, TTF-Th-2 (TTF-methylene-thiophene), linkage in the shortest σ

Abstract We revealed a catalyst-free, green and rapid one-pot four-component tandem strategy for the preparation of dihydropyrano[2,3-c]pyrazoles – a biologically significant scaffold – via Knoevenagel-Michael cyclocondensation based on green chemistry principles. Highlights of the current practice are the application of non-hazardous reaction circumstances, catalyst-free, operational simplicity, use

In this article, we report the self-assembly process, structural features, thermal and hydration properties of the gold fullerene nanocomposite at room temperature by applying molecular dynamics simulation technique. The gold-fullerene systems constituting alkanethiol capped gold nanoparticle and pristine fullerene in explicit water have been simulated to gain insights on the influence of the terminal

Abstract A novel organic crystal namely (2E, 4E)-[dimethylamino) phenyl]-1-(4methylphenyl) penta-2, 4-dien-1-one has been grown successfully from the slow evaporation method. The single-crystal X-ray diffraction study revealed that the compound belongs to the orthorhombic crystallographic system with non-centrosymmetric P212121 space group with lattice parameters α = 7.1354(3) Å, β = 11.2112(7) Å and

Abstract A sacrificial template, Fe-MIL-88 is used to synthesize Ni–Fe layered double hydroxide (Ni–Fe LDH). The metal-organic framework (Fe-MIL-88) is synthesized from the precursors, ferric nitrate and terephthalic acid. Electrocatalytic oxidation of kojic acid (KA) is realized by Ni–Fe LDH film which is coated on a glassy carbon electrode (GC). Under the optimized conditions, amperometry measurements

Abstract In the present investigation, magnetic ferrite nanoparticles (ferrite NPs) were synthesized and coated with silica (ferrite@SiO2NPs) by using the sol-gel method. After that, silica propylmethylimidazolium chloride ionic liquid [Sipmim]Cl was prepared and linked with the above-prepared ferrite@SiO2NPs to synthesize ferrite silica propylmethylimidazolium chloride [Fesipmim]Cl catalyst. The formation

Abstract An electrochemical sensor for hydrogen peroxide (H2O2) present in face bleach cream is fabricated using a composite based on bentonite (Bt) clay and copper oxide (CuO) nanoparticles (CuO-Bt). The CuO nanoparticles’ immobilization into Bt was carried out by a two-step process in which Cu2+ is ion-exchanged into Bt layers (Cu2+-Bt) in the first step followed by the chemical reaction of NaOH

Abstract A series of 21 coumarin hydrazide–hydrazone derivatives were designed, synthesized and evaluated potential cytotoxicity effects at 25 μg/mL for 48 h against liver cancer (HepG2) cell line in vitro. Then, seven out of 21 compounds with % cell viability lower than 60% were selected for evaluation of in vitro anti-proliferative activity against liver cancer (HepG2), breast cancer (SKBR-3) and

Abstract [3 + 2] cycloaddition (32CA) reaction of C,N-diaryl nitrone with benzylidene acetone has been studied to analyse the mechanism, selectivity and polar character of this nitrone-enone cycloaddition. Topological analysis of the electron localization function (ELF) shows the absence of pseudoradical and carbenoid centre in the nitrone, which allows its classification as a zwitter-ionic (zw) type

Abstract One-pot synthesis of isoindole fused quinazolin 4-ones via intramolecular 1,3 hydride transfer in the presence of acid catalyst has been described. Substrate scope and mechanistic insights were investigated. Substituents on the amide side have a negligible influence on the key step and therefore the method have wide scope for accessing various bicyclic core structure. Graphic abstract A Mechanistic

Abstract A palladium(II) complex, [Pd(L)Cl] (1) with a new ONS donor azo–thioether ligand (L) (where L = 2,4-dihydroxy-5-((2-(methylthio)phenyl)diazenyl)(phenyl)(phenyl)methanone) is successfully synthesized. The ligand and complex are thoroughly characterized by several spectroscopic techniques. The geometry of the complex is confirmed by single-crystal X-ray analysis. Electronic structure and spectral

Abstract In this study, the surface of silica-coated magnetic nanoparticles (Fe3O4@SiO2) were successfully functionalized by an organic ligand of 1, 4-Diazabicyclo[2.2.2]octane (DABCO)-sulfonic acid and used as a highly efficient catalyst for the synthesis of 4-aryl-NH-1, 2, 3-triazoles from the benzyl alcohol derivatives, nitromethane and sodium azide in ethanol. Furthermore, this catalyst could be

Abstract The host–guest binding characteristics of cyclopentanocucurbit[6]uril (CyP6Q[6]) and cyanine dye trans-4-[4-(dimethylamino)styryl]-1-methylpyridinium iodide (t-DSMI) have been studied. The results show that CyP6Q[6] and t-DSMI form a 1:1 inclusion system, generating strong fluorescence. On this basis, the fluorescent probe t-DSMI@CyP6Q[6] has been constructed, and its anion recognition ability

Abstract Two new dimeric copper (II) complexes containing 2-chlorobenzoato/4-formylbenzoato and 4-cyanopyridine ligands, [Cu2(μ2-O2CC6H4-Cl)4(C5H4N-CN)2] (1) and [Cu2(μ2-O2CC6H4-CHO)4(C5H4N-CN)4] (2), were synthesized and characterized by elemental analysis, FT-IR and ESR spectroscopy and single-crystal X-ray diffraction methods. In the structure of 1, each copperII cation was surrounded by four oxygen

Abstract The development of efficient methods for alkaline phosphatase (ALP) activity assay is of great importance in clinical diagnosis and many biomedical applications. In this work, the authors create two strategies for colorimetric detection of ALP activity. The first strategy is developed by using directly manganese dioxide (MnO2) nanosheets as colorimetric probes. The second strategy is developed

Abstract Inhibitors of dipeptidyl peptidase-4 (DPP4) have been shown to be effective treatments for type 2 diabetes. A series of novel 1,2,3-triazole based xanthine derivatives were designed and evaluated for in vitro dipeptidyl peptidase-4 (DPP-4) activity. Among them, the representative compounds 7b, 7e, 7g and 6e showed excellent inhibitory activity of DPP-4 with IC50 values ranging from 87.41 to

Abstract Phenol methylation is an acid-base catalysed reaction that produces valuable chemicals that are used in fine chemical synthesis. Methylation of phenol was studied over iron, vanadium and zirconium doped cerium nano oxides under optimized reaction conditions such as catalyst weight 0.5 g, phenol/methanol molar ratio 1/3 and WHSV 1.4 h−1 at 300 °C and 2 h. 80-90% conversion and 90% ortho selectivity

Abstract Carboxyethylthiosuccinic acid (CETSA) was synthesized by thiol-ene click reaction and determined by various characterization methods, such as 1H NMR, IR and TG. A novel rust remover with corrosion inhibition was prepared by using CETSA as the main component. The results of rust removal were tested by the difference method and intuitive comparison method, and its rust removal mechanism was

Abstract P-xylene is one of petrochemical products eagerly in demand. Until recently, the process for preparing of p-xylene was done via gas-phase toluene methylation reaction at high temperature using a strong acid catalyst. In this work, high surface area, shape-selective and single-site MIL-101(Cr) was used as a catalyst to perform toluene methylation reaction in a liquid phase at low reaction temperature

Abstract In recent years, BiOI has been extensively studied due to its excellent absorption ability of visible light. However, low energy conversion efficiency affects its potential for practical application. In this paper, MoS2/BiOI composite was synthesized by two-step ways and applied to the photoelectrochemical (PEC) detection of hexavalent chromium (Cr (VI)). Through a series of optical characterization

Abstract Lithium–sulfur (Li–S) batteries have established a tremendous interest in recent years because of their high specific capacity (1675 mAh g−1) and energy density (2600 Wh kg−1). In the present work, the electrode comprising carbon source viz., Acetylene Black (AB) and Manganese Oxide (MnO2) to serve as an efficient sulfur host in two different ratios (MnO2:AB as 10:20 (M1) and 20:10 (M2)) for

Abstract A new air and moisture stable PEPPSI (PEPPSI: pyridine-enhanced pre-catalyst preparation, stabilisation, and initiation) themed palladium N-heterocyclic carbene (NHC) complex [Pd(L)Br2(Py)] (1) [L: 2-flurobenzyl)-1-(4-methoxyphenyl)-1H-imidazolline-2-ylidene] was synthesized and characterized. The structure of complex 1 was determined by X-ray single-crystal analysis. The palladium center

Abstract The competition of hydrogen, halogen and pnicogen bonding to the stability of the atmospheric complexes is interesting, especially where the molecules by the most abundant greenhouse effect in the atmosphere are subject of interest. In the present work, we have computationally studied the addition of H2O to the NF3 and CF2Cl2 molecules to reveal the electronic and structural features of the

Abstract The DNA topoisomerase enzymes, Topo I and Topo II, have been used as molecular targets for drug design of anticancer agents. The search is for new anticancer therapies that respond to the toxicity of current drug treatments and tumor resistance. The present study provides insights into a likely dual inhibitory effect on Topo I and II of trifluoromethylsulfonamide (triflamide) derivatives by

Abstract Ninhydrin and phenylethylamine reacted to form a complex mixture from which four products were isolated: a benzo-fused spiroheterocyclic and a pyrrole product resulting from tricomponent condensation between ninhydrin, phenylethylamine and phenylacetaldehyde produced in situ, a 2-amino-1,3-indandione dimerisation-dehydrogenation product and a Schiff base. This article analyses these compounds’