2-[(4-Aminobutyl)ferrocenylmethylidene]-5,6-dimethoxy-1-indanone derivatives: Synthesis,characterization, and investigation of electro-optical properties

A ferrocenyl-based, chromophore-containing 1-indanone derivative was synthesized through crotonic condensation between 4-chlorobutylferrocenecarboxaldehyde and 5,6-dimethoxy-1-indanone followed by the nucleophilic substitution of chlorine atom of the obtained dyad with different aromatic and aliphatic amines. The electrochemical and optical properties of the synthesized compounds were investigated to explore the relationship between their structures and optical and electrochemical properties. The bandgaps determined from optical absorption spectra ranged from 2.05 to 2.15 eV. The important electrochemical parameters, including the peak potential separation, peak current ratios, and the dependence of peak currents on the scan rate, were studied. Results showed an electrochemically reversible redox system with diffusion-controlled redox process for the synthesized compounds. The study of quantum chemistry was performed on the synthesized compounds using the density functional theory approach. The B3LYP method and 6-311 G(d) basis set were used for optimizing the structures in the gas phase. The theoretical and experimental results show that these compounds can be considered as candidates to be used in optical applications.     

A new supramolecular zinc(II) complex containing 4‐biphenylcarbaldehyde isonicotinoylhydrazone ligand: Nanostructure synthesis,catalytic activities and Hirshfeld surface analysis

A new potentially tridentate hydrazone ligand, 4‐biphenylcarbaldehyde isonicotinoylhydrazone (4‐bpinh), was prepared by the condensation of biphenyl‐4‐carboxaldehyde with isonicotinic acid hydrazide. Then, its nano‐sized and single crystal of zinc complex were synthesized using sonochemical and heat gradient methods, respectively. The structure of complex, [Zn(4‐bpinh)₂ Br₂] (1), was determined by single‐crystal X‐ray diffraction, FT‐IR, and elemental analysis, and the nano‐structure of complex was characterized by FT‐IR, XRD, and SEM. The single crystal X‐ray structure of complex showed that the metal center has a distorted tetrahedral geometry and the hydrazone ligand acts as monodentate trough the pyridyl N atom. Moreover, the analysis of crystal structures indicates the existence of intermolecular interactions such as N/C–H?Br/O, N/C–H?π, and π?π stacking in the stabilization of complex structure which finally led to the formation of the three‐dimensional supramolecular structure. Also, the impact of this interactions was more studied using Hirshfeld surface analysis and corresponding 2D fingerprint plots. Furthermore, the catalytic activity of 1 was studied in the selective oxidation of various sulfides to corresponding sulfoxides using hydrogen peroxide as the oxidative agent.     

Cobalt-promoted MoS2 nanosheets: A promising novel diesel hydrodesulfurization catalyst

MoS₂ has been commonly used as a catalyst in hydrodesulfurization (HDS) of petroleum cuts in crude oil refineries. In this study, the synthesis of unsupported MoS₂ and Co-promoted MoS₂ nanosheets produced from molybdenum oxide and thiourea is reported. The synthesized samples were characterized by using x-ray fluorescence, x-ray diffraction, Brunauer–Emmett–Teller (BET), temperature-programmed reduction, thermal gravimetric analysis, and transmission electron microscopy methods, and then they were utilized for HDS of diesel through a fixed-bed catalytic reactor. Results indicated that a cobalt promoter affected both the number and the performance of active sites of the molybdenum sulfides, and the activity of the promoted MoS₂ catalyst was consistently higher than that of the MoS₂ catalyst. More significantly, the activity of the promoted catalyst was slightly declined during 48 h continuous HDS reaction, which indicated the stability of this catalyst. Additionally, during 12 h of test run, the HDS activity of the promoted catalyst was about 60% higher than MoS₂ one.     

Effect of gold nanoparticles synthesized using the aqueous extract of Satureja hortensis leaf on enhancing the shelf life and removing Escherichia coli O157:H7 and Listeria monocytogenes in minced camel's meat: The role of nanotechnology in the food industry

Because herbal nanoparticles have antimicrobial properties, researchers have tried to synthesize them to aid in increasing the shelf time of food and food products. In this regard, gold nanoparticles (AuNPs) synthesized by plants are particularly important. In this study, fresh and clean leaves of Satureja hortensis were selected for the synthesis of AuNPs. We also evaluated the efficacy of these nanoparticles to increase the shelf life of and remove Escherichia coli O157:H7 and Listeria monocytogenes from minced camel's meat. The nanoparticles were analyzed by UV–visible spectroscopy, field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), Fourier-transform infrared (FT-IR) spectroscopy, energy dispersive X-ray spectroscopy, and X-ray diffraction tests. The FT-IR spectroscopy results demonstrated that the antioxidant compounds in the plant were the sources of reducing power, reducing gold ions to AuNPs. FE-SEM and TEM images revealed the size of the nanoparticles to be 22.26 nm. The 2,2-diphenyl-1-picrylhydrazyl test revealed similar antioxidant potentials for S. hortensis, AuNPs, and butylated hydroxytoluene. S. hortensis and AuNPs had high cell viability dose-dependently against the human umbilical vein endothelial cell line. At the beginning of the food industry part of this experiment, all samples of control, S. hortensis, and AuNPs were preserved at 4°C for 20 days. During these 20 days, the sensory, chemical, and microbiological parameters were assessed for all samples. AuNPs significantly inhibited the growth of E. coli and L. monocytogenes. In addition, AuNPs significantly increased the protein carbonyl content, thiobarbituric acid reactive substances, pH, peroxide value, total volatile base nitrogen, and sensory attributes (color, odor, and overall acceptability). The best results were seen in AuNPs (1%). These findings reveal that the inclusion of S. hortensis extract improves the solubility of AuNPs, which led to a notable enhancement in their preservative and antibacterial effects.     

Solid-phase extraction based on multi-walled carbon nanotube (MWCNT) sorbents combined with bio-coacervation extraction for the determination of atrazine from water samples followed by HPLC analysis

In this study, combined technique of solid-phase extraction based on multi-walled carbon nanotubes with bio-coacervation extraction (SPE-MWCNT-BCAE) has been developed as a new sample preparation method for the determination of atrazine from water samples. The proposed method involves two steps: analyte enrichment on the solid sorbent and subsequently elution of the analyte by an appropriate solvent. Multi-walled carbon nanotubes (MWCNTs) were used as the sorbent. They have high specific surface area, nano-scale structure and high diffusion rate. The second step is based on the use of bioaggregates for analyte re-enrichment, which consists of biosurfactants and ionic liquid. This method follows the principles of green chemistry. Parameters affecting the extraction efficiency were optimized. Under optimum conditions, the enrichment factor was 176. The linear dynamic range (LDR) and limit of detection (LOD) were 2–100 µg L^?1 and 0.66 µg L^?1, respectively. The relative standard deviation (RSD) for six replicate measurements was 3.8%. The method was applied to the determination of ultratrace levels of atrazine in environmental water samples with satisfactory results.     

Development of novel magnetic solid-phase extraction sorbent based on Fe<Subscript>3</Subscript>O<Subscript>4</Subscript>/carbon nanosphere/polypyrrole composite and their application to the enrichment of polycyclic aromatic hydrocarbons from water samples prior to GC–FID analysis

We describe a magnetic nanocomposite that consists of Fe₃O₄/carbon nanosphere/polypyrrole (Fe₃O₄/CNS/PPy). The synthesized nanocomposites were characterized by scanning electron microscopy, transmission electron microscopy, and Fourier transform infrared spectroscopy. The nanocomposite was successfully applied to extract of the polycyclic aromatic hydrocarbons (PAHs) from water samples. Compared to Fe₃O₄/PPy, the Fe₃O₄/CNS/PPy nanocomposite exhibits improved properties in terms of extraction. The amount of adsorbent, salt effect, extraction time, desorption time, type, and the volume of desorption solvent were optimized. Following the desorption of the extracted analytes, the PAHs (i.e., naphthalene, 2-methylnaphthalene, 2-bromonaphthalene, fluorene, and anthracene) were quantified by gas chromatography–flame ionization detector. The PAHs can be determined in 0.05–100.00 ng mL^?1 concentration range, with limits of detection (at an S/N ratio of 3) ranging from 0.01 to 0.05 ng mL^?1. The repeatability of the method was investigated with relative standard deviations of lower than 9.9% (n = 5). Also, the recoveries from spiked real water samples were in the range of 88.9–99.0%. The results indicate that the novel material can be successfully applied for the extraction and analysis of PAHs from water samples.     

The use of Cr (CO)6 as an alternative CO source in Pd‐catalyzed C‐N bond formation: Synthesis of benzamides

An efficient strategy for the synthesis of benzamides from acetamides and aryl iodides using 1 mol% Pd (OAc)₂ as catalyst and Cr (CO)₆ as CO‐precursor is described. This new synthetic methodology displays high functional group tolerance on both substrates and avoids the need for ligands, reducing agents, or other additives. The corresponding products were obtained in good to excellent yields at atmospheric pressure under mild reaction conditions.     

Enhanced properties of photovoltaic devices tailored with novel supramolecular structures based on reduced graphene oxide nanosheets grafted/functionalized with thiophenic materials

For verifying the influence of donor–acceptor supramolecules on photovoltaic properties, different hybrids were designed and used in organic solar cells. In this respect, reduced graphene oxide (rGO) was functionalization with 2‐thiophene acetic acid (rGO‐f‐TAA) and grafted with poly(3‐dodecylthiophene) (rGO‐g‐PDDT) and poly(3‐thiophene ethanol) (rGO‐g‐PTEt) to manipulate orientation of poly(3‐hexylthiophene) (P3HT) assemblies. Face‐on, edge‐on, and flat‐on orientations were detected for assembled P3HTs on rGO and its functionalized and grafted derivatives, respectively. Alteration of P3HT orientation from face‐on to flat‐on enhanced current density (J _sc), fill factor (FF), and power conversion efficiency (PCE) and thus J _sc = 7.11 mA cm^?2, FF = 47%, and PCE = 2.14% were acquired. By adding phenyl‐C71‐butyric acid methyl ester (PC71BM) to active layers composed of pre‐designed P3HT/rGO, P3HT/rGO‐f‐TAA, P3HT/rGO‐g‐PDDT, and P3HT/rGO‐g‐PTEt hybrids, photovoltaic characteristics further improved, demonstrating that supramolecules appropriately mediated in P3HT:PC71BM solar cells. Phase separation was more intensified in best‐performing photovoltaic systems. Larger P3HT crystals assembled onto grafted rGOs (95–143 nm) may have acted as convenient templates for the larger and more intensified phase separation in P3HT:PCBM films. The best performances were reached for P3HT:P3HT/rGO‐g‐PDDT:PCBM (J _sc = 9.45 mA cm^?2, FF = 54%, and PCE = 3.16%) and P3HT:P3HT/rGO‐g‐PTEt:PCBM (J _sc = 9.32 mA cm^?2, FF = 53%, and PCE = 3.11%) photovoltaic systems. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017 , 55 , 1877–1889     

Photophysical and optoelectronic properties of a platinum(II) complex and its derivatives,designed as a highly efficient OLED emitter: A theoretical study

New platinum(II) complex with picolinate (pic) and 2-phenyl naphtothiazole (pntl) ligand as the guest material has been designed and its capability for OLED applications have been examined. Also, we have studied the effects of different substitutions (ie, electron-withdrawing and electron donating groups) on naphtothiazole moiety on optovoltaic characters. We have employed density functional theoretical (B3LYP/DFT) methods to reveal the photophysical and structure properties relationships with the typical host material. The valence MO energies, vertical and adiabatic triplet energy, reorganization energy, and triplet exciton generation fraction (χ _T) have been extensively studied to exploring high phosphorescence efficiency in OLEDs. It has been predicted that substituted systems are good candidates for OLED applications as well as their parent system.