Synthesis and Structural Characterization of Bioactive Ferrocenyl Substituted Hydrazones

Russian Journal of Coordination Chemistry - A series of ferrocenyl substituted hydrazones (I–VII) derived from ferrocene carboxaldehyde and substituted hydrazides have been prepared and...     

Selenium Alleviates the Adverse Effect of Drought in Oilseed Crops Camelina (Camelina sativa L.) and Canola (Brassica napus L.)

Drought poses a serious threat to oilseed crops by lowering yield and crop failures under prolonged spells. A multi-year field investigation was conducted to enhance the drought tolerance in four genotypes of Camelina and canola by selenium (Se) application. The principal aim of the research was to optimize the crop yield by eliciting the physio-biochemical attributes by alleviating the adverse effects of drought stress. Both crops were cultivated under control (normal irrigation) and drought stress (skipping irrigation at stages i.e., vegetative and reproductive) conditions. Four different treatments of Se viz., seed priming with Se (75 μM), foliar application of Se (7.06 μM), foliar application of Se + Seed priming with Se (7.06 μM and 75 μM, respectively) and control (without Se), were implemented at the vegetative and reproductive stages of both crops. Sodium selenite (Na₂SeO₃), an inorganic compound was used as Se sources for both seed priming and foliar application. Data regarding physiochemical, antioxidants, and yield components were recorded as response variables at crop maturity. Results indicated that WP, OP, TP, proline, TSS, TFAA, TPr, TS, total chlorophyll contents, osmoprotectant (GB, anthocyanin, TPC, and flavonoids), antioxidants (APX, SOD, POD, and CAT), and yield components (number of branches per plant, thousand seed weight, seed, and biological yields were significantly improved by foliar Se + priming Se in both crops under drought stress. Moreover, this treatment was also helpful in boosting yield attributes under irrigated (non-stress) conditions. Camelina genotypes responded better to Se application as seed priming and foliar spray than canola for both years. It has concluded that Se application (either foliar or priming) can potentially alleviate adverse effects of drought stress in camelina and canola by eliciting various physio-biochemicals attributes under drought stress. Furthermore, Se application was also helpful for crop health under irrigated condition.     

Benchmark approach to search of cost-effective and accurate density functional for homolytic cleavage of C─Mg bond of Grignard reagent

Grignard reactions are of importance in organic chemistry for the synthesis β-keto esters and diethyl malonate, alcohols, aldehydes or ketones, monocarboxylic acids, and other organometallic compounds. Generally, the heterolytic dissociation of C─Mg bond in Grignard reagent is the key step in these reactions. Recently, homolytic cleavage of the C─Mg bond in Grignard reagents has been reported in the preparation of stable radicals. These reactive species react with other compounds, which result in the formation of hydrocarbons and their derivatives. Therefore, the study of homolytic cleavage of C─Mg bonds is quite vital to better understand the kinetics and thermodynamics of these reactions. In the current study, a benchmark approach is adopted to find a cost-effective and accurate density functional (DF) for bond dissociation energies measurement of the C─Mg bond of Grignard reagents. Twenty-nine DFs from 13 density functional theory (DFT) classes with three types of basis sets (Pople' 6-31G(d) and 6-311G(d), Dunning's aug-cc-pVDZ, and Karlsruhe' def2-SVP basis sets) are implemented for the measurement of dissociation energies of the C─Mg bond. Theoretical dissociation energy values are compared with experimental reported values of the C─Mg bond of selected Grignard reagents. TPSSTPSS of the meta-GGA class with 6-31G (d) basis set gave accurate results, and its Pearson's correlation is 0.95. SD, root mean square deviation, and mean unsigned error of this method are 2.36 kcal mol⁻¹, 2.33 kcal mol⁻¹, and −0.46 kcal mol⁻¹, respectively. TPSSTPSS of the meta-GGA class is a one-electron, self-interaction, error-free Tao-Perdew-Staroverov-Scuseria functional that performed better with the 6-31G(d) basis set.     

Unroofing history of the Sillai Patti granite gneiss, Pakistan: constraints from zircon fission-track dating

A group of alkaline igneous rocks is exposed in the north of the Peshawar Plain, extending from Tarbela in the east up to Loe–Shilman near the Pakistan–Afghanistan border in the west. The alkaline rocks consist mainly of granites, syenites, gabbros, ijolites and carbonatites. Granitic gneisses of Paleozoic age are exposed at the Malakand and further westward at Sillai Patti. However, the fission-track dating studies on zircon, based on the present work, indicate that the age of the Sillai Patti granite gneiss is less than the absolute age of granite gneisses. Therefore, the zircon fission-track age of 24.28±2.97 Ma of the Sillai Patti granite gneiss, represents a time of post-metamorphic denudation history of the area, when these rocks passed through the 210°C isotherm, corresponding to a depth of about 6.7 km inside the earth's crust from their present position if a paleogeothermal gradient of 30°C/km is assumed to have prevailed. Our average fission-track zircon age of 24.28±2.97 Ma is very similar to the average fission-track zircon age of 25.4±0.7 Ma of Mansehra granites. Average cooling rates of the Mansehra and Sillai Patti granite gneisses have been computed to be (8.00±0.22)°C/Ma and (8.00±0.98)°C/Ma, while the average denudation rates of the Mansehra and Sillai Patti granite gneisses have been computed to be (0.262±0.007) and (0.274±0.034) mm/yr, respectively, on the basis of zircon fission-track ages for the period between 25 Ma and the present time. This indicates that the two complexes have experienced similar average cooling/uplift-induced denudation histories during the last 25 Ma or so.     

Design of donor–acceptor–donor (D–A–D) type small molecule donor materials with efficient photovoltaic parameters

Four Donor–Acceptor–Donor (D–A–D) type of donor molecules (M1‐M4) with triphenylamine (TPA) as donor moiety, thiophene as bridge, and thiazolothiazole as acceptor unit were designed and its photovoltaic parameters were equated with reference molecule “R.” DFT functional CAM‐B3LYP/6‐31G (d,p) was found best for geometry optimization and TD‐CAM‐B3LYP/6‐31G (d,p) was found suitable for excited state calculations. Among designed donor molecules, M4 manifests suitable lowest band gap of 4.73 eV, frontier molecular orbital energy levels as well as distinctive broad absorption of 455.3 nm due to the stronger electron withdrawing group. The electron‐withdrawing substituents contribute to red shifts of absorption spectra and better stabilities for designed molecules. The theoretically determined reorganization energies of designed donor molecules suggested excellent charge mobility property. The lower λ_e values in comparison with λ_h illustrated that these four donor materials would be ideal for electron transfer and M4 would be best amongst the investigated molecules with lowest λ_e of 0.0177. Furthermore, the calculated Voc of M4 is 2.04 V with respect to PC₆₀BM (phenyl‐C61‐butyric acid methyl ester). This study revealed that the designed donor materials are suitable and recommended for high performance organic solar cell devices.     

Analysis of coir fiber acoustical characteristics

Coir fiber from coconut husk is an important agricultural waste in Malaysia. Acoustic absorption coefficient of the fiber as a porous material is studied in this paper. Two types of fiber are investigated, fresh from wet market and industrial prepared mixed with binder. Moreover two analytical models, namely; Delany–Bazley and Biot–Allard are used for analysis. Experimental measurements in impedance tube are conducted to validate the analytical outcomes. Results show that fresh coir fiber has an average absorption coefficient of 0.8 at f > 1360 Hz and 20 mm thickness. Increasing the thickness is improved the sound absorption in lower frequencies, having the same average at f > 578 Hz and 45 mm thickness. Delany–Bazley technique can be used for both types of fiber while Biot–Allard method is compensated for the industrial prepared fiber considering the binder additive. This form generally shows poor acoustical absorption in low frequencies. Inevitably, fiber has to be mixed with additives in commercial use to enhance its characteristics such as stiffness, unti-fungus and flammability. Hence other approaches such as adding air gap or perforated plate should be used to improve the acoustical properties of industrial treated coir fiber.     

EM-Wave Diffraction by a Finite Plate with Dirichlet Conditions in the Ionosphere of Cold Plasma

In the current communication, the problem of plane wave diffraction by a conductible plate of finite length in the presence of cold plasma is investigated. The boundary-value problem corresponding to this model is formulated by Fourier transform which then leads to the Wiener?Hopf equation. The resulting equation has been solved by the Wiener?Hopf procedure in a standard way. The separated field (diffracted field) is analyzed in an anisotropic medium using asymptotic expansion and modified stationary phase method. The problem can be made simple by assuming ε₂→0, where ε₂ is the element of permittivity tensor. This happens, if the operating frequency is assumed to be very large as compared to ω_c (cyclotron frequency) while it is of same order of ω_p (the plasma frequency). The case ε₁ =1, ε₂→0 leads to the results for soft plate of finite length in an isotropic medium. Graphical study is performed to investigate the behavior of separated field for various physical parameters for isotropic and anisotropic media.     

The effect of the slip condition on flows of an Oldroyd 6-constant fluid

The steady flows of a non-Newtonian fluid are considered when the slippage between the plate and the fluid is valid. The constitutive equations of the fluid are modeled by those for an Oldroyd 6-constant fluid. They give rise to non-linear boundary value problems. The analytical solutions are obtained using powerful, easy-to-use analytic technique for non-linear problems, the homotopy analysis method. It is shown that solutions exist for all values of non-Newtonian parameters. The solutions valid for no-slip condition for all values of non-Newtonian parameters can be derived as the special cases of the present analysis. Finally, graphs are plotted and critical assessment is made for the cases of slip and no-slip conditions.     

Phase Transitions of Ruthenium-Doped Iron Oxide Studied by 57Fe Mössbauer Spectroscopy at Elevated Temperatures

Hyperfine Interactions - The 57Fe Mössbauer spectra recorded in situ from 5% ruthenium-doped maghemite show parameters typical for maghemite up to 600 K and a hyperfine field distribution...     

Multi‐switching combination–combination synchronization of non‐identical fractional‐order chaotic systems

In this paper, multi‐switching combination–combination synchronization scheme has been investigated between a class of four non‐identical fractional‐order chaotic systems. The fractional‐order Lorenz and Chen's systems are taken as drive systems. The combination–combination of multi drive systems is then synchronized with the combination of fractional‐order Lü and Rössler chaotic systems. In multi‐switching combination–combination synchronization, the state variables of two drive systems synchronize with different state variables of two response systems simultaneously. Based on the stability of fractional‐order chaotic systems, the multi‐switching combination–combination synchronization of four fractional‐order non‐identical systems has been investigated. For the synchronization of four non‐identical fractional‐order chaotic systems, suitable controllers have been designed. Theoretical analysis and numerical results are presented to demonstrate the validity and feasibility of the applied method. Copyright © 2017 John Wiley & Sons, Ltd.