Exploring the electro‐optical properties of conjugated polymers based on oligo‐selenophene and oligo(3,4‐ethylenedioxyselenophene)

For seeking high‐efficiency narrow‐band‐gap donor materials to enhance short‐circuit current density for organic solar cells, a series of oligo‐selenophene (OS) and oligo(3,4‐ethylenedioxyselenophene) (OEDOS) with various chain lengths were designed and characterized using density functional theory (DFT) and time‐dependent DFT calculations. Based on the results, it can be seen that with increasing chain length of the oligomers in both syn‐ and anti‐adding manners, the bond length alternation is decreased which indicates that the π‐electron delocalization is increased. Also, when the chain length is increased the electronic energy gap and the optical energy gap are decreased. It can be concluded that the syn‐(OS)_n=10,14,15, anti‐(OS)_n=14 and anti‐(OEDOS)_n=7–12 oligomers can act as low‐band‐gap polymers. Therefore they can absorb more sunlight based on maximum wavelength (higher than 620 nm). Furthermore, a red shift in the simulated absorption spectra of (OS)_n and (OEDOS)_n donors is observed. It is found that (OS)_n=14,15 with syn configuration of the extended oligomers is the most suitable donor for the design of high‐performance organic solar cells possessing a narrow electronic band gap, high exciton lifetime and broad and intense absorption spectra that cover the solar spectrum leading to complete light‐harvesting efficiency.     

Self-Assembly Behavior and Application of Terphenyl-Cored Trimaltosides for Membrane-Protein Studies: Impact of Detergent Hydrophobic Group Geometry on Protein Stability

Amphipathic agents are widely used in various fields including biomedical sciences. Micelle-forming detergents are particularly useful for in vitro membrane-protein characterization. As many conventional detergents are limited in their ability to stabilize membrane proteins, it is necessary to develop novel detergents to facilitate membrane-protein research. In the current study, we developed novel trimaltoside detergents with an alkyl pendant-bearing terphenyl unit as a hydrophobic group, designated terphenyl-cored maltosides (TPMs). We found that the geometry of the detergent hydrophobic group substantially impacts detergent self-assembly behavior, as well as detergent efficacy for membrane-protein stabilization. TPM-Vs, with a bent terphenyl group, were superior to the linear counterparts (TPM-Ls) at stabilizing multiple membrane proteins. The favorable protein stabilization efficacy of these bent TPMs is likely associated with a binding mode with membrane proteins distinct from conventional detergents and facial amphiphiles. When compared to n-dodecyl-β-d -maltoside (DDM), most TPMs were superior or comparable to this gold standard detergent at stabilizing membrane proteins. Notably, TPM-L3 was particularly effective at stabilizing the human β₂ adrenergic receptor (β₂AR), a G-protein coupled receptor, and its complex with G_s protein. Thus, the current study not only provides novel detergent tools that are useful for membrane-protein study, but also suggests a critical role for detergent hydrophobic group geometry in governing detergent efficacy.     

Synthesis of boronic acid‐functionalized poly(glycerol‐oligoγ‐butyrolactone): Nano‐networks for efficient electrochemical sensing of biosystems

Despite the outstanding properties of hyperbranched polyglycerols such as biocompatibility and multifunctionality, enough attention has not been paid to the synthesis of their functional copolymers. This problem has limited the structural diversity of hyperbranched polyglycerols and hampers further developments and their practical usage. In this work, butyrolactone segments were incorporated into the backbone of polyglycerols by one‐pot ring‐opening copolymerization of a mixture of glycidol and γ‐butyrolactone in the presence of tin(II) 2‐ethylhexanoate. Poly(glycerol‐oligoγ‐butyrolactone)s were then crosslinked by 2,5‐thiophenediylbisboronic acid to obtain polymeric nanonetworks with 140 nm average size. Afterwards, the gold electrode was modified by the polymeric nano‐networks, and it was used for the determination of glucose, glycated hemoglobin, and Escherichia coli in phosphate buffer solution (pH = 9.0) through cyclic voltammetry and impedance spectroscopic. Taking advantage of the straightforward synthesis, cheap precursors and multifunctionality of poly(glycerol‐oligoγ‐butyrolactone)s, they could be used for real‐time sensing of a wide range of biosystems. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 1430–1439     

Phyto-synthesis of silver nanoparticles using aerial extract of Salvia leriifolia Benth and evaluation of their antibacterial and photo-catalytic properties

Research on Chemical Intermediates - We have synthesized silver nanoparticles (Ag-NPs) via a simple and eco-friendly method through the utilization of aqueous aerial parts of Salvia leriifolia...     

Silver–palm pollen nanocomposite exhibits antiproliferative,antioxidant, and proapoptotic properties on MCF-7 breast cancer cells

The aim of the present study is to evaluate the antioxidant and proapoptotic effects of silver–palm pollen (Ag/PP) nanocomposite. The percentage of live cells after treatment with various concentrations of Ag/PP (0, 5, 10, 20, and 40 µM/mL) was determined by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) colorimetric assay. The antioxidant potential of Ag/PP was measured via the scavenging effects of 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) and molecular analysis. Apoptosis was assessed by morphological analysis, fluorescent dye, and flow cytometry, and its fundamental mechanism studied based on evaluation of Bax and Bcl2 gene expression. Ag/PP nanocomposite suppressed the viability of MCF-7 cells (dose and time dependently) and showed antioxidant properties. Morphological changes associated with cell death were observed in treated cells. Accumulation of dead cells in sub-G1 phase confirmed the occurrence of apoptosis in exposed cells. In addition, NPs induced cell death by altering Bcl-2 expression in MCF-7 cells. These results indicate that Ag/PP nanocomposite is an effective combination for removal of cancer cells by induction of apoptosis and could be useful for human health due to its antioxidant effects.     

Antioxidant potential assessment of phenolic and flavonoid rich fractions of Clematis orientalis and Clematis ispahanica (Ranunculaceae)

The antioxidant activities of crude extract fractions using Hexane, Chloroform, Ethyl Acetate, Butanol and Water of Clematis orientalis and Clematis ispahanica were investigated. 1,1-diphenyl-2-picryl-hydrazyl (DPPH) assay and the ferric reducing/antioxidant potential (FRAP) were used to evaluate the antioxidant capacity. The total phenolics were found to be 4.37–9.38 and 1.32–11.37 mg gallic acid equivalents (GAE)/g in different fractions for C. orientalis and C. ispahanica, respectively. The ethyl acetate fraction of C. orientalis and chloroform fraction of C. ispahanica showed the highest DPPH and FRAP activities at a concentration of 300 μg/mL. The predominant phenolic compounds identified by HPLC in C. orientalis were Resorcinol (603.5 μg/g DW) in chloroform fraction and Ellagic acid (811.7 μg/g DW) in chloroform fraction of C. ispahanica.     

Synthesis of nanostructured titania/zirconia membrane and investigation of its physical separation and photocatalytic properties in treatment of textile industries wastewater

Nanostructured TiO₂/ZrO₂ composite membranes with varying compositions were obtained by sol–gel technique. The influence of 0–30 mol% zirconia doping on microstructure, water permeability, photocatalytic and physical separation properties, removal of methyl violet of textile industries wastewater and thermal and mechanical stability of titania/zirconia composite membranes was described. Firstly, alumina supports were coated with TiO₂ intermediate layers using the colloidal sol–gel route. The TiO₂/ZrO₂ composite sols were prepared via a polymeric sol–gel method and dip-coated on TiO₂ intermediate layer. The samples were characterized by DLS, TG-DTA, XRD, FTIR, BET-BJH, UV–visible, SEM, TEM and AFM. It was shown that zirconia retards the phase transformation of anatase to rutile until at least 700 °C. The minimum pore size and maximum surface area obtained were 1.2 nm and 153 m²/g, respectively, attributed to the sample with 20 mol% zirconia. The mechanical strength of titania membranes was significantly improved by addition of zirconia. The most methyl violet removal efficiency obtained, with and without UV-irradiation, is 80.8 and 72.6%, respectively, attributed to the sample with 20 mol% zirconia.     

Synthesis of spiro[5.4]decenones and their transformation into bicyclo[4.4]deca-1,4-dien-3-ones by domino "elimination- double-Wagner-Meerwein-rearrangement" reactions

The [3+3] cyclization of 1,3-bis-silyl enol ethers with 1,1-diacylcyclopentanes allows a convenient synthesis of spiro[5.4]decenones. Treatment of these compounds with trifluoroacetic acid (TFA) afforded a great variety of bicyclo[4.4.0]deca-1,4-dien-3-ones containing an angular alkyl group. This core structure occurs in a number of pharmacologically relevant natural products.     

Adsorption of nitrogen dioxide on C30B15N15 heterofullerene: AIM and NBO study via DFT

Adsorption of nitrogen dioxide on the exterior surface of C₃₀B₁₅N₁₅ through B atom of adsorbent is studied using the DFT-B3LYP/6-31G^* level. Independent to the orientation, the NO₂ molecule presents strong chemisorption with large charge transfer from C₃₀B₁₅N₁₅ to adsorbed gas. NBO (natural electron configuration of adsorbing B atom), AIM analysis and spin density distributions indicate that the chemisorption of NO₂ on the C₃₀B₁₅N₁₅ in all studied complexes are covalent in nature.