Ab initio study of atropisomers of derivatives of 1,8-di-pyridine 9H-fluorene, dibenzo[b,d]furan, 9H-carbazole and dibenzo[b,d]thiophene

Ab initio calculation at HF/6-31G^* and MP2/6-31G^* levels of theory for geometry optimization of some syn- and anti-1,8-di-pyridine 9H-fluorene, dibenzo[b,d]furan, 9H-carbazole and Dibenzo[b,d]thiophene are reported. The rotational barrier energy, heat of formation and Gibbs energy are determined for the conversion of the anti-(syn) to the syn (anti)-isomers at 25 °C in the gas phase. The models are chosen as isomers of 9H-fluorene, dibenzo[b,d]furan, 9H-carbazole and dibenzo[b,d]thiophene as scaffold with pyridine as module. Results obtained show that (at equilibrium) for most of atropisomers the syn- is favored over the anti-isomer. Moreover, the ground state structures show that the modules are not parallel to each other but are tilted away in order to increase separation and there by minimize electrostatic repulsion. In atropisomers of 9H-carbazole the isomers are showing an attraction due to the presence of nitrogen atom. Influence of the position of nitrogen atom on the magnitude of the rotational barriers in these atropisomers is also studied.     

Efficient Synthesis of Novel Coumarin‐3‐carboxamides (=2‐Oxo‐2H‐1‐benzopyran‐3‐carboxamides) Containing Lipophilic Spacers

The novel coumarin‐3‐carboxamides (=2‐oxo‐2H‐1‐benzopyran‐3‐carboxamides) 5a – 5g containing lipophilic spacers were synthesized through the Ugi‐four‐component reaction (Scheme 1). The reactions of aromatic aldehydes 1 , 4,4′‐oxybis[benzenamine] or 4,4′‐methylenebis[benzenamine] as diamine 2 , coumarin‐3‐carboxylic acid (=2‐oxo‐2H‐benzopyran‐3‐carboxylic acid; 3 ), and alkyl isocyanides 4 lead to the desired substituted coumarin‐3‐carboxamides 5a – 5g at room temperature with high bond‐forming efficiency. These novel coumarin derivatives exhibit brilliant fluorescence at 544 nm in CHCl₃.     

Prime virtually semisimple modules and rings

Abstract

We show that the multiplication algebra of a nondegenerate Jordan algebra is a semiprime algebra.     

Design of fractional robust adaptive intelligent controller for uncertain fractional-order chaotic systems based on active control technique

In this paper, a robust fractional-order adaptive intelligent controller is proposed for stabilization of uncertain fractional-order chaotic systems. The intelligent neuro-fuzzy network is used to estimate unknown dynamics of system, while the neuro-fuzzy network parameters as well as the upper bounds of the model uncertainties, disturbances and approximation errors are adaptively estimated via separate adaptive rules. An SMC scheme, with a fractional-order sliding surface, is employed, as the controller to improve the velocity and performance of the proposed control system and to eliminate the unknown but bounded uncertainties, external disturbances and approximation errors. The Lyapunov stability theorem has been also employed to show the stability of the closed-loop system, robustness against uncertainties, external disturbances and approximation errors, while the control signal remains bounded. Explanatory examples and simulation results are given to confirm the effectiveness of the proposed procedure, which consent well with the analytical results.     

Characterization of Iran electricity market indices with pay-as-bid payment mechanism

Market data analysis in Iran’s electricity market as a market with a pay-as-bid payment mechanism has been considered in this paper. The analysis procedure includes both predictability and correlation analysis of the most important load and price indices. The experimental data from Iran’s electricity market has been employed in its real size which is long enough to take properties such as non-stationarity of the market into account. For predictability, the characteristics of the hourly accepted Weighted Average Price (WAP) as the topmost price index of this market is analyzed. The analysis tools are time series analysis methods such as power spectral density analysis, phase space reconstruction and test of surrogates, the fractional dimension and the slope of integral sums and the recurrence plots. The results indicate a deterministic, un-stationary and seasonal behavior in addition to unstable periodic orbits and even chaotic behavior in WAP time series. These observations imply just short-term predictability of WAP behavior. The interactive behavior of WAP with the hourly required load (RL) is also considered. For this interaction analysis, in addition to the common correlation methods, cross and joint recurrence plot are also employed. The joint behavioral analysis represents an un-stationary mimic correlation between WAP and RL.     

Simplicial orders and chordality

Chordal clutters in the sense of Bigdeli et al. (J Comb Theory Ser A 145:129–149, 2017) and Morales et al. (Ann Fac Sci Toulouse Sér 6 23(4):877–891, 2014) are defined via simplicial orders. Their circuit ideal has a linear resolution, independent of the characteristic of the base field. We show that any Betti sequence of an ideal with linear resolution appears as the Betti sequence of the circuit ideal of such a chordal clutter. Associated with any simplicial order is a sequence of integers which we call the \(\lambda \)-sequence of the chordal clutter. All possible \(\lambda \)-sequences are characterized. They are intimately related to the Hilbert function of a suitable standard graded K-algebra attached to the chordal clutter. By the \(\lambda \)-sequence of a chordal clutter, we determine other numerical invariants of the circuit ideal, such as the \(\mathbf h \)-vector and the Betti numbers.     

Oxidation of o‐phenylenediamine to 2,3‐diaminophenazine in the presence of cubic ferrites MFe2O4 (M = Mn,Co, Ni,Zn) and the application in colorimetric detection of H2O2

Metal ferrites nanocrystallites, MFe₂O₄ (M = Mn, Co, Ni, Zn) were prepared by coprecipitation method and characterized by a combination of physico‐chemical and spectroscopic techniques. MFe₂O₄ nanoparticles having particle size in the range 10–35 nm were tested as catalysts in the oxidation of o‐phenylenediamine (OPD) to 2,3–diaminophenazine (DAP) using hydrogen peroxide as oxidant at room temperature. Kinetic data was collected for the catalytic oxidation of OPD to DAP by monitoring the UV–vis absorbance at 415 nm and fit well to the Michaelis–Menten model yielding kinetic parameters K_m (Michaelis–Menten constant) and V_max (maximum rate of reaction). MnFe₂O₄ nanoparticles provide the highest catalytic activity in the oxidation of OPD to DAP at room temperature. A colorimetric method was developed based on the MnFe₂O₄/OPD system for the detection of H₂O₂ in reaction solution. The method has a detection limit of 30 μM for H₂O₂ and wide linear range.