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The effect of preparation conditions (molar ratio of S/Mo, hydrothermal temperature and time) on the morphologies of MoS2 was investigated. The as-synthesized materials were characterized by X-ray diffraction (XRD), field emission scanning microscopy (FESEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), Raman spectra and Brunauer–Emmett–Teller’s (BET) surface area measurement. Results showed that the three kinds of morphologies of MoS2 were obtained. Morphologies varied gradually from the coral-like aggregated particles to flower-like spheres to wrapped nano-sheet structure with increasing hydrothermal temperature and time. It is meaningful for specific morphology demand in different fields. Moreover, the prepared materials were used as tentative adsorbents for the removal of bisphenol A (BPA) as a representative of endocrine disruptors. The results showed that the prepared MoS2 materials with wrapped nano-sheet structure had good adsorption capacity (39.03mg/g) and fast adsorption rate (0.0053g/(mg/min). The adsorption process was thermodynamically exothermic and spontaneous. The study indicated that electrostatic interaction is strong and π-π interaction between BPA and the MoS2 materials play an important role for BPA adsorption.

Quinoline and its derivatives are widely studied by both synthetic and computational chemists due to their exciting perspectives in biological and nonlinear optical (NLO) research. Herein, three novel arylated quinolines: 3-(4-acetylphenyl)quinoline (1), 3-(4-(methylthio)phenyl)-quinoline (2) and 3-(4-phenoxyphenyl)quinoline (3) were synthesized employing Pd catalyzed Suzuki–Miyaura cross-coupling reaction. The chemical structures of all compounds were resolved employing different analytical techniques like 1H-NMR, FT-IR, UV–Vis, EIMS, elemental analysis and finally confirmed by single crystal X-ray diffraction analysis. Synthesized compounds were further subjected to density functional theory (DFT) calculations at B3LYP level of theory in conjunction with 6-311 + G(2d,p) basis set to explore optimized geometry, natural bond orbital (NBO) analysis, FT-IR spectroscopic data, frontier molecular orbitals (FMOs) and NLO properties. Overall, a good agreement was found between DFT computed results and corresponding experimental findings. Vertical electronic transition states were computationally calculated using time-dependent DFT (TDDFT) at same B3LYP level of theory and 6-311 + G(2d,p) basis set combination. NBO calculations indicated the occurrence of intra-molecular charge transfer in synthesized compounds, hence enormous molecular stability owing to hyperconjugative interactions. Energy of FMOs was used to calculate the global reactivity descriptors which indicated that synthesized molecules are chemically hard compounds with greater kinetic stability and electron donating capability. NLO properties were found to be in the range 1830–2960 a.u and order of 2 > 1 > 3. Urea molecule comparative analysis and two-state model confirmed that synthesized molecules are excellent NLO candidates and may have prospective uses in the technology related applications.Graphical abstract

In this study, two novel Schiff base ligands (L1 and L2) derived from condensation of methyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate and methyl 2-amino-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, both starting matter with 5-bromo-salicylaldehyde, and their Zn(II) and Ni(II) metal complexes have been prepared using a molar ratio of ligand:metal as 1:1 except the Ru(II) complexes 1:0.5. The structures of the obtained ligands and their metal complexes were characterized by elemental analysis, FT-IR, 1H NMR, 13C NMR, UV–vis, thermal analysis methods, mass spectrometry, and magnetic susceptibility measurements. Antioxidant and antiradical activity of Schiff base ligands and their metal complexes were been evaluated in vitro tests. Antioxidant activities of metal complexes generally were more effectives than free Schiff bases. 1c and 2c were used as catalysts for the transfer hydrogenation (TH) of ketones. 1c, 2c complexes were found to be efficient catalyst for transfer hydrogenation reactions.

Gold nanoparticles (AuNPs) have been synthesized through a green synthesis method using mung bean starch (MBS) as both reducing and stabilizing agents. The chemical state was analyzed by X-ray photoelectron spectroscopy (XPS). The crystalline structures were characterized by X-ray diffraction (XRD). The thermal properties were measured by thermogravimetric analysis and differential thermal analysis (TGA/DTA). The surface morphology was investigated by scanning electron microscopy (SEM). In order to investigate the catalytic activity, the mung bean starch-supported AuNPs (MBS-AuNPs) was utilized as a heterogeneous catalyst in the reduction of 4-nitrophenol (4-NP) in the presence of sodium borohydride (NaBH4). The kinetic studies under the different experimental conditions were performed in order to determine the activation parameters from the Arrhenius and Eyring equations. It was found that the activation energy (Ea), activation enthalpy (ΔH#) and activation entropy (ΔS#) were calculated to be 47.42 kJ mol−1, 44.78 kJ mol−1 and −261.49 kJ mol−1, respectively. In addition, the catalytic activity was 73% reduction after recycling at the end of the fifth use. This work offers a non-toxic procedure for the synthesis of nanoparticles using starch-rich polymers with a great promise toward other potential applications.

Reduced graphene oxide/Zinc ferrite (rGO/ZnFe2O4) nanohybrids are successfully decorated on the surface of the rGO sheets through a simple, one-step hydrothermal method. ZnFe2O4 nanoparticles (NPs) are homogeneously anchored on the rGO sheets. The rGO/ZnFe2O4 hybrids are characterized by XRD, FT-IR, XPS, TEM, Raman, BET. The rGO/ZnFe2O4 hybrids demonstrate amazing catalytic activity on thermal decomposition of ammonium perchlorate (AP), which is better than that of bare ZnFe2O4 NPs. TG-DTA results indicate that the ZnFe2O4 NPs in the hybrids with increasing ratio (1%, 3%, 5%) could decrease the second decomposition temperature of AP by 42.7 °C, 55.0 °C, 68.1 °C, respectively, and reduce the apparent activation energy of AP from 160.2 kJ mol−1 to 103.8 kJ mol−1. This enhanced catalytic performance is mainly attributed to the synergistic effect of ZnFe2O4 NPs and rGO.

Gold nanoparticles are biocompatible and are having several applications in biomedical Sciences and Engineering. Integration of nanoscience in medicine leads to the development of biomedical products that helps the Society in a faster and safer manner. In the present research work, bioreduction and biofunctionalization of gold nanoparticles are performed with fruit extracts of Aegle marmelos, Eugenia jambolana and soursop. The nanoparticles are characterized using UV–Vis spectroscopy, Transmission Electron Microscopy, Fourier Transform Infrared Spectroscopy and Zeta potentiometer. The qualitative phytochemical analysis of the fruit extracts shows the presence of alkaloids, amino acid, flavonoids, phenol, proteins, tannin, reducing sugars and total Sugars. The in vitro anticancer activity was confirmed by MTT assay on the human breast cancer cell line MCF-7 at different concentrations. The flavonoids present in the fruit extracts are potential reducing agent which is responsible for the formation of gold nanoparticles. Stabilization of gold nanoparticles are performed by the carboxylate group present in the proteins. Also, the nanoparticles are held apart from each other by the electrostatic repulsions that exist due to the presence of like charges surrounding the gold nanoparticles. This study proves that the fruit extracts can be used for the synthesis and stabilization of gold nanoparticles. Further, the engineered nanoparticles capped with bioactive compounds are potential anticancer agents against breast cancer cell line MCF-7.

Mn3O4 nanoparticles (NPs) were synthesized from the reduction of KMnO4 with glycerol at 80 °C in aqueous media via a gel formation route. In order to investigate the thermal stability and phase transformation, Mn3O4 NPs were subjected to heat treatment from 200 °C to 700 °C. The formation of different MnOx species observed by X-ray diffraction (XRD) measurements showed temperature dependent phase transformation occurring during the heat treatment process. XRD patterns showed that Mn3O4 NPs were formed at a temperature of 80 °C and two new phases Mn5O8 and Mn2O3 were appeared at 350 °C and 700 °C respectively. The three different oxides having their distinct surface morphologies viz., spherical, rod and cube shape respectively, were observed. Detailed morphological and structural investigations using Field Emission Scanning Electron Microscopy (FESEM), XRD, Thermo Gravimetric Analysis (TGA) and Differential Scanning Calorimetry (DSC) revealed the temperature dependent phases, crystal structures, lattice constants, particle sizes and surface morphologies of the MnOx species.

In this article, a CaO-based catalyst was prepared by impregnating chloride salts on CaO to develop a highly efficient heterogeneous catalyst for the synthesis of glycerol carbonate (GC) from glycerol and dimethyl carbonate. LiCl/CaO exhibited a high catalytic activity under moderate reaction conditions. The effects of the LiCl loadings, the amount of catalyst and the calcination temperature on the catalytic activity were investigated. The highest yield of 94.19% glycerol carbonate was obtained at 65 °C on CaO loaded with 10% LiCl after 1 h, and the catalyst had high stability in reusing work. Scanning electron microscopy (SEM), X-ray diffraction (XRD), BET, CO2-TPD, XPS and thermalgravity (TG) were used to characterize the prepared catalyst. It was found that the high catalytic activity of CaO after modification with LiCl is associated with the structural aspects and the amount of basicity of the catalyst. The Li2O2 species, which is a strong basic site that is formed by the substitution of the Ca2+ in CaO lattice by Li+, has great activity for transesterification.

A series of 10 new N-phenyl-4-(4-(thiazol-2-yl)-phenyl)-thiazol-2-amine derivatives (3a–j) and 4 new 5-(2-(phenylamino)-thiazol-4-yl)-benzamide ethers (3′a–d) were synthesized from 4-(2-phenylamino)-thiazol-4-yl)-benzothioamide and 2-hydroxy-5-(2-(phenylamino)-thiazol-4-yl)-benzamide with several α-halo-ketones, by the Hantzsch reaction. All compounds were characterized by elemental analysis and spectral data (MS, FT-IR and NMR). The final 14 substances were screened for antimicrobial activity, against two Gram-positive, one Gram-negative bacterial strains, and two fungal strains. Some of the synthesized molecules were more potent than the reference drugs, against the pathogenic strains used. The antibacterial activity of compounds was more pronounced against the Gram-positive strains. Compound 3e manifested the highest growth inhibitory effect against all pathogens tested (MIC of 31.25 μg/mL against the Gram-positive bacterial strains and 7.81 μg/mL against the Candida strains).

An ecofriendly itinerary for the synthesis of pyranopyrazole derivatives having thioether link has been established via reusable, green catalyst, green solvent and multicomponent domino approach. To avoid impurities, usage of toxic solvents, toxic catalyst, simple workup and quantitative yields were strategies of this method. In addition, all the reported compounds were tested for their antioxidant and antibacterial properties. Some compounds displayed higher antioxidant activity than the standard drug (6a and 6j), while some other active compounds showed prominent antibacterial activity (6e and 6n). The results demonstrated that these active compounds may be used to support as a decent stand for further investigation in a way to ascertain innovative antioxidant and antibacterial medicines.Graphical abstract