Synthesis of the anti and syn isomers of thieno[f,f ']bis[1]benzothiophene. Comparison of the optical and electrochemical properties of the anti and syn isomers

We report isomer-pure synthesis of thieno[2,3-f:5,4-f ']bis[1]benzothiophene and thieno[3,2-f:4,5-f ']bis[1]benzothiophene, the anti and syn isomers of a pentacyclic compound consisting of alternating thiophene and benzene rings. The optical and electrochemical properties of both are reported. In the anti isomer, the ribbonlike embedding of three thiophene units leads to a near-planar molecule with favorable pi-pi stacking behavior in the solid state as shown by X-ray crystal structure analysis.     

Efficacy of Phytochemicals Derived from Roots of Rondeletia odorata as Antioxidant,Antiulcer, Diuretic,Skin Brightening and Hemolytic Agents—A Comprehensive Biochemical and In Silico Study

Roots of Rondeletia odorata are a rich source of phytochemicals with high antioxidant potential and thus may possess health benefits. This study used the LC-MS technique to identify phytoconstituents in R. odorata roots extract/fractions. Results revealed that n-butanol fraction and ethanolic extract contained total phenolic and flavonoid contents with values of 155.64 ± 0.66 mgGAE/g DE and 194.94 ± 0.98 mgQE/g DE, respectively. Significant potential of antioxidants was observed by DPPH, CUPRAC and FRAP methods while the ABTS method showed moderate antioxidant potential. Maximum % inhibition for urease, tyrosinase and carbonic anhydrase was shown by ethanolic extract (73.39 ± 1.11%), n-butanol soluble fraction (80.26 ± 1.59%) and ethyl acetate soluble fraction (76.50 ± 0.67%) which were comparable with thiourea (standard) (98.07 ± 0.74%), kojic acid (standard) (98.59 ± 0.92%) and acetazolamide (standard) (95.51 ± 1.29%), respectively, while all other extract/fractions showed moderate inhibition activity against these three enzymes. Hemolytic activity was also observed to range from 18.80 ± 0.42 to 3.48 ± 0.69% using the standard (triton X-100) method. In total, 28 and 20 compounds were identified tentatively by LC-MS analysis of ethanolic extract and n-butanol soluble fraction, respectively. Furthermore, molecular docking was undertaken for major compounds identified by LC-MS for determining binding affinity between enzymes (urease, tyrosinase and carbonic anhydrase) and ligands. It was concluded that active phytochemicals were present in roots of R. odorata with potential for multiple pharmacological applications and as a latent source of pharmaceutically important compounds. This should be further explored to isolate important constituents that could be used in treating different diseases.     

Structural,electronic, and optical properties of Cd-halide-based inorganic LiCdX3 (X = F,Cl) perovskites for photovoltaic applications: A density functional theory study

Halide base perovskite LiCdX₃ (X = F, Cl) is tested by CASTEP (Cambridge Serial Total Energy Package) based on density function theory (DFT). The presented discussion is to explore the structural, electronic, and optical properties of LiCdX₃ (X = F, Cl). The calculated values of the lattice parameter are found to be 3.8 Å and 5.27 Å of LiCdF₃ and LiCdCl₃ respectively. The ideal structure of LiCdX₃ (X = F, Cl) is cubic and dynamically stable. Electronic properties show that materials are semiconductors. The results from band structure are further evaluated by the total and partial density of states. The partial and total density of states confirms the degree of localization of electrons. In optical properties, the highest absorption coefficient is observed in LiCdCl₃. The material is half metallic and has a narrow indirect band gap which may be used in photovoltaic applications.     

Bio-inspired sustainable synthesis of silver chloride nanoparticles and their prominent applications

Advanced nanotechnology is an enormously growing area due to its massive scope of applications for diverse domains of applied science and engineering. Numerous types of synthetic procedures are utilized for the creation of nanoparticles (NPs) due to their myriad application scenarios. However, known conventional physical and chemical strategies have a number of shortcomings. Consequently, the designs of facile, clean, safer, non-noxious, reliable, inexpensive and eco-friendly processes for manufacturing of NPs are being explored actively to circumvent these barriers. The phytogenic fabrication of NPs is much safer, one-pot, facile, and a sustainable methodology. Hence, divergent biological means like the use of plants, biopolymers, fungi, fibres, bacteria, enzymes, etc., are pursued the procurable biogenic fabrication of metallic NPs. In this review paper, current findings on the bio-inspired fabrication of silver chloride nanoparticles (AgCl-NPs) are deliberated, which have with their useful appliances in assorted sectors. The experimental protocols, advanced characterization techniques along with diverse applications of biogenically synthesized AgCl-NPs have been highlighted.     

Some Integral Mean Estimates for Polynomials with Restricted Zeros

Let P(z) be a polynomial of degree n having all its zeros in |z| ≤ k. Fork = 1,it is known that for each r 0 and |α|≥ 1,n(|α|- 1) {∫2π0|P(eiθ)|rdθ}1/r 0r≤ {∫2π0|1+ eiθ|rdθ}1/rmax|z|=|Dα P(z)|.In this paper, we shall first consider the case when k ≥ 1 and present certain generalizations of this inequality. Also for k ≤ 1, we shall prove an interesting result for Lacunary type of polynomials from which many results can be easily deduced.     

Gamma radiolytic degradation of the endrin insecticide in methanol and monitoring of radiolytic degradation products by HPLC

The objective of this investigation was to verify the degradation of endrin by gamma irradiation. ⁶⁰Co was used as radiation source for irradiation of 50 mg L^?1 endrin with a varied dose of 1–6 kGy. High performance liquid chromatography (HPLC) coupled with diode array detector was used as an analytical technique to monitor the degradation rate along with numbers of degradation products formed. At dose rate of 6 kGy ≥99% of endrin was degraded. It is proposed that utilization of ionization radiations can be an effective and efficient tool for the removal of halogenated pesticides.     

Sufficient oscillation conditions for the Sturm–Liouville equation

We use the variational method to establish criteria for the existence of conjugate points and for the oscillation property of the linear differential Sturm–Liouville equation.     

Crystallization and Organic Field-Effect Transistor Performance of a Hydrogen-Bonded Quaterthiophene

Crystalline thin films of π-conjugated molecules are relevant as the active layers in organic electronic devices. Therefore, materials with enhanced control over the supramolecular arrangement, crystallinity, and thin-film morphology are desirable. Herein, it is reported that hydrogen-bonded substituents serve as additional structure-directing elements that positively affect crystallization, thin-film morphology, and device performance of p-type organic semiconductors. It is observed that a quaterthiophene diacetamide exhibits a denser packing than that of other quaterthiophenes in the single-crystal structure and, as a result, displays enhanced intermolecular electronic interactions. This feature was preserved in crystalline thin films that exhibited a layer-by-layer morphology, with large domain sizes and high internal order. As a result, organic field-effect transistors of these polycrystalline thin films showed mobilities in the range of the best mobility values reported for single-crystalline quaterthiophenes. The use of hydrogen-bonded groups may, thus, provide an avenue for organic semiconducting materials with improved morphology and performance.     

Lifetime measurements of ultrashort-lived excited states in Be-like ions

We propose to measure the lifetime of short-lived excited states in highly charged ions by pump-probe experiments. Utilizing two synchronized and delayed Femtosecond pulses allows accessing these lifetimes with Femtosecond precision. Such measurements could provide sensitive tests of state-of-the art atomic structure calculations beyond the capabilities of established methods.