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Enhanced oxygen evolution reaction activity of Ni(OH)2 nanosheets via the modified effect of sulfur
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A zwitterion metal-organic framework for the removal of fluoride from an aqueous solution
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Synthesis and characterization of Mn-Co co-doped TNU-9 denitration catalyst with high activity
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ZIF-8 prepared in ionic liquid microemulsions for efficient capture of phosphate from water
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Design and synthesis of amino acid derivatives containing hydantoin and thiazolidine moieties
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Applying polypharmacology approach for drug repurposing for SARS-CoV2
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The synthesis of sutezolid and eperezolid using proline catalyzed α-aminoxylation of an aldehyde
Selective α-aminoxylation was achieved on corresponding aldehyde with great enantiomeric excess to get intermediate (5) using catalytic amount of low cost proline. The oxazolidinone ring was then constructed on common intermediate (5) which was then further converted to Oxazolidinone class compounds like Sutezolid and Eperezolid.
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Synopsis: Three new Co(II) complexes of 2-(bis(pyridin-2-ylmethyl)amino)acetate (L) are prepared. Reactivity of the complexes with aerial dioxygen, in presence of Et3N, invariably produced Co(III) complexes having the common complexed cation [Co(L)(picolinate)]+. Picolinate is generated due to the oxidative cleavage of bound L.
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The reaction of Fe3(CO)12 with 2-mercaptobenzimidazole led to the formation of an unusual triiron carbene cluster as the major product and a diiron monothiolate complex as the minor product. The di- and triiron clusters displayed electrocatalytic activity in acetonitrile in the presence of either acetic acid or trifluoroacetic acid as proton sources.
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Electrochemically co-deposited PdAu bimetallic materials embedded in N-[3-(trimethoxysilyl) propyl]ethylenediamine silicate (ES) sol-gel modified electrode (I/ES-Pd75Au25) displayed 8.7 and 3.2 times higher methanol oxidation current and mass activity when compared to the pristine I/ES-Pd100 modified electrode due to ES silicate sol-gel supported mass interaction between PdAu alloy nanostructure with the analyte.
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Comparison of the frequency dependent rotational friction among three different solvent systems considered – normal liquid (ethanol), deep eutectic solvent (acetamide/LiBr) and ionic liquid ([BMIM][BF6]). Note the high frequency friction values for these solvents are very similar, although their zero frequency values differ quite considerably because of widely different viscosities.
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W/HAP catalysed N-oxidation of tertiary amines with H2O2 as an oxidant
Synopsis. Synthesis of several N-oxides using tungsten exchanged hydroxyapatite (W/HAP) in the presence of 30% hydrogen peroxide (H2O2) as an oxidant is presented. A process with aqueous H2O2, a cheap and clean oxidant with an active catalyst is developed to reduce waste production and meet the requirements of green chemistry.
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Macro-RAFT agents were successfully synthesized in high yield by reacting S-dodecyl-S′-(α,α′-dimethyl-α″-acetic acid) tritiocarbonate (DDMAT) (R-2) with polyethylene glycols (Mn: 2000 Da and 8000 Da, respectively). Subsequently, the monomers methyl methacrylate (MMA) and N-isopropylacrylamide (NIPAM) were polymerized respectively using synthesized macro-RAFT agents. SEM images of PEG-b-PMMA block copolymers have shown that the copolymers have a microporous structure. The critical temperature values of the PEG-b-PNIPAM block copolymers are closer to that of the PNIPAM homopolymer, 32 °C, indicating their usability in drug delivery systems.
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A highly efficient and environmentally friendly route for the one-pot multi-component construction of biologically active pyrazolopyranopyramidine derivatives by the reaction of aromatic aldehydes, hydrazine hydrate, ethyl acetoacetate, and barbituric acid under ultrasonication has been evolved. The reaction is promoted by starch@Fe3O4 at room temperature using water as solvent. The key features of the present reaction are the excellent yield of products, mild reaction condition, without column chromatography, reusability, and magnetically separable catalyst.
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In this work, the effects of acid treatment and calcination process on the catalytic performance of SmMnO3/cordierite monolithic catalyst for o-xylene oxidation were based on response surface methodology (RSM) through presenting a mathematical modeling and factorial analysis.
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In this paper, we use the organic matter in the waste clay as the carbon source and nitrogen source and use the characteristics of clay in the waste clay to introduce iron ions into the reaction. After high-temperature calcination, we get Fe3C/NC composite. Fe-N co-doping can expose more graphite defects and more active sites, which can also improve the electrocatalytic performance of ORR.
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An environmentally benign protocol for the synthesis of 3,4-DHPMs has been developed using inexpensive molecular oxygen, visible light as green energy source and eosin Y as photoreceptor-cum-sensitizer. The utilized photoreceptor revealed its unique properties in rapid intersystem crossing, high photo and chemical stability, ease of separation and high catalytic efficiency.
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Selective detection of Cu2+ by benzothiazole-based colorimetric chemosensor: a DFT study
An effective colorimetric chemosensor BTV was synthesized for detecting Cu2+. Sensor BTV showed a bathochromic shift (150 nm) with an explicit color change from colorless to pink to Cu2+. In addition, it could detect Cu2+ down to 0.37 μM and distinguish it from various metal ions through the test strip.
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The effect of argon plasma treatment on surface engineering in an inverted perovskite solar cell
The wettability of the Poly-TPD hole transporting layer has increased with exposure to argon plasma. The treated cells with argon plasma under the power of 220 W and a treatment time of 5 s has the best interface between the perovskite and poly-TPD hole transporting layer leads to higher photovoltaic parameters.
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Homogeneous catalyst containing Pd in the reduction of aryl azides to primary amines
Synopsis Commercially available dichloro[2,2′-bis(diphenylphosphino)-1,1′-binaphthyl]palladium(II) (BINAP.PdCl2) homogeneous catalyst was used for the reduction of aryl azides to primary amines. The reactions were carried out in water and yields above 95% were obtained in a short time. Sodium borohydride was used as the reducing reagent. A number of aryl azide derivatives have been converted into primary amines, thanks to the hydrogen gas released by sodium borohydride with the help of water and catalyst.
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After the exsolution, the Pt/LaCoO3 is well-developed with smooth surface and some nanoparticles are homogeneously distributed on the surface of the samples. The exsolved Pt nanoparticles can accelerate the electron exchange process between the matrix and its adsorbed intermediates, and ultimately promote the electrochemical reaction kinetics.
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Structural and electrical properties of Ti0.95M0.05O2−δ (M = Ni, Cu, Zn) are reported for their plausible applications as SOFC electrolytes. Lower Ea of 1.08, 1.41, and 1.17 eV are obtained for TiO2, Ni-TiO2 and Zn-TiO2, samples respectively. The Cu-TiO2 showed comparable oxide ion conductivity with other potential electrolyte materials.
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A facile and efficient synthesis of Bis-thiazole from mono-thiazole
A facile method is developed to synthesis bis-amino thiazole from easily synthesised mono thiazole. A series of bis thiazole were obtained with free amino groups which can be used for late-stage synthesis of new bis heterocyclic compounds.
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ZnCoPBAs show a face-centred cubic structure with a high density of Lewis acidic Co (II) /Zn (II) metal sites and basic -CN- groups. We successfully modified ZnCoPBAs with different organic ligands and their application in the cycloaddition of CO2 and epoxides.
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Sr-doped NdFeO3 nanoparticles were synthesized by the simple co-precipitation method. The obtained Sr-doped NdFeO3 nanoparicles have higher absorption in the visible region than in the UV range and the band gap value (Eg- = 0.87–1.06 eV) is much lower than similar rare-earth perovskites synthesized by different methods.
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Synthesis, structural elucidation and reaction optimization studies of a novel prodrug of Atovaquone
Atovaquone is a well known antimalarial drug that has poor water solubility and low bioavailability. To overcome these challenges, a novel prodrug of Atovaquone has been synthesized. Synthesis, structural elucidation and reaction optimization studies of the novel prodrug has been explained with supportive experimental and spectral results. The collective experimental output enables large-scale manufacturing of the disclosed prodrug 3 with substantial high yields and purity.
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Atmospheric corrosion of metal in contact with a thin electrolyte film via diffusion of dissolved oxygen coupled with oxygen reduction reaction and metal dissolution reaction in pseudosteady state.
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High catalytic activity was observed with α- and β-K6P2W18O62, α-K6P2Mo6W12O62 and α1-K7P2Mo5VW12O62 Dawson-type for the oxidation of cyclohexanone, cyclohexanol or cyclohexanone/cyclohexanol mixture, in the hydrogen peroxide presence, to several oxygenated products. Adipic, levulinic and 6-hydroxyhexanoic acids are the main products. The peroxo- species formed in situ could be the active sites.
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In this paper, we present two complexes, diaquabis [2-(1H-tetrazol-5-yl) pyrazinato]-Copper (II) (1) and Cobalt (II) (2), synthesized by microwave activation. They are characterized by spectral methods to confirm their structure. The complexes also degrade the dyes in the presence of UV. The complexes bind well to ct-DNA, cleave DNA, and exhibited anti-bacterial activity. Molecular docking is performed to show the effective inhibition of bacterial proteins.
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Redox potentials of puckered 1,4-benzoquinone
* The present study highlights the conformational dependence of structure and redox potentials of 1,4-benzoquinone molecule using quantum chemical techniques. * It was observed that the planar molecule obtained the highest redox potential followed by skew 2S6,6S2 and boat 3,6B, B3,6, B2,5 conformers that have more negative LUMO energies. * Further, it was noted that the redox potentials of 1,4-BQ conformers are more effectively predicted at the B3LYP/6-31+G* level of theory employing ethylene carbonate solvent.
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Synopsis: Dramatic changes in the stability of carbanion complexes with the replacement of a hydrogen atom by lithium.
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Synthesis and characterization of heteroatom co-doped graphenes using CVD, Pyrolysis and hydrothermal techniques are reported and their electrochemical behaviors evaluated. The results represent the high dependence of ORR activity of the prepared electrocatalysts to the synthesis method and the electrocatalyst via pyrolysis method shows high selectivity for the 4e- reduction.
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Supramolecular self-assembly based on Cucurbit[8]urils with sulfanilamide and sulfamethoxazole
In this study, we reported that Cucurbit[8]uril (Q[8]) was used as the carrier of P-aminobenzenesulfonamide and sulfamethoxazole. The experimental results show that the main driving forces of the system are hydrogen bond and ion-dipole interaction and two new supramolecular self-assemblers were constructed.
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Weak noncovalent interactions stabilise higher order clusters of protonated dopamine leading to red shift in the UV-visible spectra as shown by quantum chemical calculations.
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Hybrid thermochromic hydrogels based on HPC/PVA for smart windows with enhanced solar modulation
Hybrid thermochromic hydrogels HPC-PVA were designed by one-step hydrothermal method categories. The hydrogels could increase the temperature-responsive of smart hydrogels, enhance solar modulation and have high luminous transmission.
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The reaction of [(arene)MCl2]2 with 4, 5- diazafluorene-9-one (dafo) and derived Schiff-base ligands yielded mononuclear cationic complexes having the general formula [(arene)MLCl]PF6-. Some of the complexes exhibited antibacterial activity against Gram-positive bacteria. Results also show that the compounds possess prominent antioxidant activity against DPPH radicals.
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2-aminopyridine Cadmium(II) meso-chlorophenylporphyrin coordination compound abbreviated as [Cd(TClPP)(2-NH2Py)] was synthesized and characterized. This compound shows interesting antibacterial properties. The molecular docking approach suggests that [Cd(TClPP)(2-NH2Py)] has higher binding affinity with hydrogen bonding interactions.
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Molecularly Imprinted Polymers for triphenylphosphine oxide (MIPs-TPPO) were first synthesized and evaluated. The effects of monomer types, binding time, and reusability were investigated. It was found that MIPs-TPPO showed high efficiency with only one hour of binding time and at least five times reusability.
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Synopsis. 5-(benzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione derivatives could interact with ctDNA. MD simulation indicated that m- and p-chlorophenyl derivatives selectively bind to AT and CG-rich DNA strands respectively. The order in HOMO energies was compatible with absorption titration result that demonstrated the order of Ka as 4-OH > 4-Cl > 3-Cl.
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Facile NBS/DMSO mediated dibromination of olefins including selected natural products and glycals
A highly chemo- and diastereoselective vic-dibromination of olefins has been developed. The process employs a readily available N-Bromosuccinimide (NBS)/DMSO reagent system as a bromine source. High substrate scope, simple reaction conditions, application to natural products and glycals makes the process very attractive.
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The synthesis of (5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl) methanone (IV), as the key intermediate in the preparation of zolazepam, via chlorination of (5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl) methanone (III) which was prepared by acylation of 1,3-dimethyl-5-pyrazolone (I) by II is reconsidered. Different aspects of each step (reaction conditions, side products and workup procedure) were considered and the products and side products were characterized via 1H NMR, 13C NMR and GC-MS techniques.
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The present work deals with the functionalization of copper (0) nanocluster onto mercaptopropyl silica ligated with 2-bromopyridine and its applications for the C–O and C–N bond-forming reactions.
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Synopsis: A mild and efficient route for the one pot synthesis of isoxazole derivatives has been developed using pyruvic acid as a catalyst under aqueous medium. The reaction was carried out under conventional as well as ultrasonic condition to afford the desired product in good yield.
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The activation of C-F bond in 1-fluorobutane, 1, 1-difluorobutane and 1, 1, 1-trifluorobutane by B(C6F5)3/lutidine and Al(C6F5)3/lutidine pairs has been assessed computationally. The Al(C6F5)3/lutidine pair is superior to the B(C6F5)3/lutidine pairs for such unusual bond activation as revealed by this study.
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In this contribution, we report the preparation of iron thiosulfonato complex CpFe(CO)2SeSO2CH=CHPh (1) and its selenosulfonato analogue CpFe(CO)2SeSO2CH=CHPh (2) featuring styrene moiety. 1 and 2 are obtained by electrophilic attack of (μ-Ex)[CpFe(CO)2]2 (E = S; x = 2–4, E = Se; x = 1) on the sulfur atom of styrene sulfonyl chloride ClSO2CH=CHPh. The new compounds, 1 and 2 have been characterized by elemental analyses, IR, 1H-, 13C{1H}-NMR, UV–Vis spectroscopy and the structure of 2 is determined by X-ray crystallography..
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The pure ligand, Cu-trizImEA and Zn-trizImEA compounds were induce and stabilize, selectively antiparallel G-quadruplex conformation on d(TTAGGG)n under no salt conditions. The formed G-quadruplexes were thermodynamically stable and irreversible, thus resulting in proficient antitelomerase and anticancer activity, in-vitro.
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The effects of aluminum and silicon phosphates on thermal stability and flammability of polystyrene
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The energy conversion of PEM fuel cell occurs through HOR and ORR in presence of suitable catalyst(s). High surface area of the catalyst(s) is desirable for better performance of the cell. The best assembled MEA with low loaded co-sputtered PtTi binary catalyst exhibits maximum power density of 0.604 W cm-2.
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Carbon nano onion (CNO) under aerial oxygen on exposure with visible light generates ROS which is capable to rupture the lipid envelope of SARS-CoV-2 followed by disintegrating its RNA.
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The dual-sensing nature [Fe(III) and Pb(II)] of ML is described through Intensity Vs Wavelength graphs. TiO2 sensing nature of ML is also described by KSV graph. The logic gate application of ML is pictorially represented with a truth table and bar graph.
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Synopsis This article reports the synthesis of a total of eight derivatives of N-(5-acetyl-4-methylthiazol-2-yl) Arylamide derivatives. The products obtained in good to excellent yield represents drug-like molecules with a well-developed structure-activity relationship.
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Iron-mediated desulphurization approach: synthesis of cyanamides and their conversions
Iron-mediated efficient multi-component method has been demonstrated for the synthesis of substituted cyanamides from isothiocyanates under mild reaction conditions. Subsequent nucleophilic addition and desulfurization are involved in this proposed synthetic methodology.
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* Polyethylene glycol crowned silver nanoparticles have designed and synthesized for selective fluoride sensing in aqueous medium. * Sensing occurrences explained with FSEM and UV-Visible spectroscopic techniques *NPs exhibits good limit of detection 0.0016 mg/L that is less than desirable limit 0.05 mg/L
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A series of tetrahydrobenzo[b]pyrans derivatives were synthesized with substituted pyrazole carbaldehydes, malononitrile and dimedone using eco-friendly L-proline as a catalyst in aqueous ethanol. We also report the examination of the synthetic protocol by green chemistry metrics suggests that synthetic protocol has green relevance. Anti-inflammatory activity and antioxidant activity for tetrahydrobenzo[b]pyran derivatives are performed. Some of the synthesized compounds showed excellent anti-inflammatory as well as antioxidant activity.
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The synthesized novel compound based on catalytic functional metal rhenium, pyridinium perrhenate(PyHReO4) exhibit excellent catalytic activity. The system with PyHReO4 as a catalyst provided an effective, easy separation, mild and convenient method in two different types of reactions(One is the epoxidation of cyclooctene, the other is the Baeyer-Villiger oxidation of 2-adamantanone).
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Artificial intelligence: machine learning for chemical sciences
Synopsis Recent surge in the application of machine learning (ML) methods in fundamental sciences has led to a perspective that these methods may become important tools in chemical science. This perspective provides an overview of the modern ML methods and their successful applications in chemistry during the last few years.
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Solubility of the hydrogen was determined experimentally in pure toluene, cinnamaldehyde, water, aqueous KOH and in mixtures of cinnamaldehyde+ toluene, biphasic reaction mixture for cinnamaldehyde hydrogenation (containing cinnamaldehyde + toluene + aq. KOH) in the temperature range of 298-353 K. The same was predicted using a thermodynamic model.
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Journal of Chemical Sciences
Volume 134, 2022
All articles
Continuous Article Publishing mode