Efficient synthesis of ferrocenylenones by Friedel-Crafts acylation with EtAlCl2-Me3Al

Efficient synthesis of ferrocenylenones using a Friedel-Crafts acylation reaction is described. Acryloyl, methacryloyl, crotonoyl, cinnamoyl, and β-methylcrotonoyl chlorides react with ferrocene in the presence of a Lewis acid (EtAlCl₂ or EtAlCl₂-Me₃Al) to give the corresponding ferrocenylenones (acryloyl, methacryloyl, crotonoyl, cinnamoyl, and methylcrotonoylferrocenes) in good isolated yields. Besides ferrocenylenones, chloroactylferrocene is also synthesised by this method.     

Performing thermodynamic analysis by simulating the general characteristics of the two-spool turbojet engine suitable for drone and UAV propulsion

Journal of Thermal Analysis and Calorimetry - This study presents determining performance parameters as well as thermodynamic analysis through certain design parameters of a two-spool turbojet...     

Bifunctional polytetrahydrofuran initiator for sequential photochemical and thermal initiation

The polymerization of tetrahydrofuran was initiated with 4,4′-azobis(4-cyanovaleryl chloride) in conjunction with silver hexafluoroantimonate and the living polytetrahydrofuran (PTHF) was terminated with pyridinium N-oxide derivatives. The resulting PTHF-macroinitiator possesses both a thermally and photochemically labile group.     

The Measurement of Ultrashort Light Pulses—Simple Devices,Complex Pulses

We review the state of the art of ultrashort-light-pulse measurement using frequency-resolved-optical-gating (FROG). Recent developments have extended the state of the art considerably. FROG devices for measuring the intensity and phase of ultrashort laser pulses have become so simple that almost no alignment is required. In addition, such devices not only operate single shot, but they also yield the two most important spatio-temporal distortions, spatial chirp and pulse-front tilt. With other FROG variations, it is now possible to measure more general ultrashort light pulses (i.e., pulses much more complex than common laser pulses), with time-bandwidth products as large as several thousand and as weak as a few hundred photons, and despite other difficulties such as random absolute phase and poor spatial coherence.     

A note on adapting methods for continuous global optimization to the discrete case

In this note we show that various branch and bound methods for solving continuous global optimization problems can be readily adapted to the discrete case. As an illustration, we present an algorithm for minimizing a concave function over the integers contained in a compact polyhedron. Computational experience with this algorithm is reported.     

Eisenstein series and convolution sums

The Ramanujan Journal - We compute Fourier series expansions of weight 2 and weight 4 Eisenstein series at various cusps. Then we use results of these computations to give formulas for the...     

NeuroGenetic approach for combinatorial optimization: an exploratory analysis

Given the NP-Hard nature of many optimization problems, it is often impractical to obtain optimal solutions to large-scale problems in reasonable computing time. For this reason, heuristic and metaheuristic search approaches are used to obtain good solutions fast. However, these techniques often struggle to develop a good balance between local and global search. In this paper we propose a hybrid metaheuristic approach which we call the NeuroGenetic approach to search for good solutions for these large scale optimization problems by at least partially overcoming this challenge. The proposed NeuroGenetic approach combines the Augmented Neural Network (AugNN) and the Genetic Algorithm (GA) search approaches by interleaving the two. We chose these two approaches to hybridize, as they offer complementary advantages and disadvantages; GAs are very good at searching globally, while AugNNs are more proficient at searching locally. The proposed hybrid strategy capitalizes on the strong points of each approach while avoiding their shortcomings. In the paper we discuss the issues associated with the feasibility of hybridizing these two approaches and propose an interleaving algorithm. We also provide empirical evidence demonstrating the effectiveness of the proposed approach.     

An integrated approach for supplier selection in multi-item/multi-supplier environment

One of the important stages in supply chain management which regards all the activities from the purchasing of raw material to final delivery of the product is the supplier selection process. Since it is the first stage of the supply chain management, it is a critical process affecting the consecutive stages. It is simply desired to select the best supplier for a specific product. But since there are a lot of criteria and alternatives to be considered, numerous decision making models have been proposed to provide a solution to this problem. Within this study, an integrated approach including fuzzy Technique for Order Preference by Similarity to Ideal Solution (TOPSIS) and a mixed integer linear programming model is developed to select the best supplier in a multi-item/multi-supplier environment. The importance value of each supplier with respect to each product is obtained via fuzzy TOPSIS in the first stage. Then in the second stage, these values are used as an input in the mathematical model which determines the suppliers and the quantities of products to be provided from the related suppliers. So as to validate the proposed methodology, an application is performed in air filter sector.     

Supramolecular Arrangement and DFT analysis of Zinc(II) Schiff Bases: An Insight towards the Influence of Compartmental Ligands on Binding Interaction with Protein

We report, for the first time, a detailed crystallographic study of the supramolecular arrangement for a set of zinc(II) Schiff base complexes containing the ligand 2,6-bis((E)-((2-(dimethylamino)ethyl)imino)methyl)-4-R-phenol], where R=methyl/tert-butyl/chloro. The supramolecular study acts as a pre-screening tool for selecting the compartmental ligand R of the Schiff base for effective binding with a targeted protein, bovine serum albumin (BSA). The most stable hexagonal arrangement of the complex [Zn − Me] (R=Me) stabilises the ligand with the highest FMO energy gap (ΔE=4.22 eV) and lowest number of conformations during binding with BSA. In contrast, formation of unstable 3D columnar vertebra for [Zn − Cl] (R=Cl) tend to activate the system with lowest FMO gap (3.75 eV) with highest spontaneity factor in molecular docking. Molecular docking analyses reported in terms of 2D LigPlot+ identified site A, a cleft of domains IB, IIIA and IIIB, as the most probable protein binding site of BSA. Arg144, Glu424, Ser428, Ile455 and Lys114 form the most probable interactions irrespective of the type of compartmental ligands R of the Schiff base whereas Arg185, Glu519, His145, Ile522 act as the differentiating residues with ΔG=−7.3 kcal mol⁻¹.