Prediction of mixed-mode fracture based on an elasto–plastic energy balance criterion

The maximum energy release rate criterion, i.e., G _max criterion, is commonly used for crack propagation analysis. This fracture criterion is based on the elastic macroscopic strength of materials. In the present investigation, however, the G _max criterion has been modified in order to accommodate the consideration of plastic strain energy. This modified criterion is extended to study the fatigue crack growth characteristics of mixed-mode cracks. To predict crack propagation due to fatigue loads, a new elasto–plastic energy model is presented. This new model includes the effects of material properties such as strain hardening exponent n, yield strength σ _y , and fracture toughness and stress intensity factor ranges. The results obtained are compared with those obtained using the commonly employed crack growth law and the experimental data.     

Synthesis of Some Novel Imidazopyrazole and Pyrazolopyrimidine Derivatives

5‐Amino‐3‐anilino‐1H‐pyrazole‐4‐carbonitrile 1 was alkylated with various halo reagents under phase transfer conditions to give the corresponding imidazopyrazole derivatives 2a , 2b , 2c , 3 , 4 , 5 , 6 . Pyrazolo[1,5‐a] pyrimidine derivatives 11 , 12 , 13 , 14 were prepared by treating compound 1 with different dicarbonyl reagents, namely, diethymalonate, ethyl 3‐oxo‐3‐phenylpropanoate, pentane‐2,4‐dione or ethyl 3‐oxobutanoate.     

Determination of capsaicin and dihydrocapsaicin in Capsicum fruit samples using high performance liquid chromatography

The aim of the present study was to determine the content of capsaicin and dihydrocapsaicin in Capsicum samples collected from city markets in Riyadh (Saudi Arabia), calculate their pungency in Scoville heat units (SHU) and evaluate the average daily intake of capsaicin for the population of Riyadh. The investigated samples consisted of hot chillies, red chillies, green chillies, green peppers, red peppers and yellow peppers. Extraction of capsaicinoids was done using ethanol as solvent, while high performance liquid chromatography (HPLC) was used for separation, identification and quantitation of the components. The limit of detection (LOD) of the method was 0.09 and 0.10 μg/g for capsaicin and dihydrocapsaicin, respectively, while the limit of quantification (LOQ) was 0.30 and 0.36 μg/g for capsaicin and dihydrocapsaicin, respectively. Hot chillies showed the highest concentration of capsaicin (4249.0 ± 190.3 μg/g) and the highest pungency level (67984.60 SHU), whereas green peppers had the lowest detected concentration (1.0 ± 0.9 μg/g); green peppers, red peppers and yellow peppers were non pungent. The mean consumption of peppers for Riyadh city population was determined to be 15.5 g/person/day while the daily capsaicin intake was 7.584 mg/person/day.     

Knapsack problem with probability constraints

This paper is dedicated to a study of different extensions of the classical knapsack problem to the case when different elements of the problem formulation are subject to a degree of uncertainty described by random variables. This brings the knapsack problem into the realm of stochastic programming. Two different model formulations are proposed, based on the introduction of probability constraints. The first one is a static quadratic knapsack with a probability constraint on the capacity of the knapsack. The second one is a two-stage quadratic knapsack model, with recourse, where we introduce a probability constraint on the capacity of the knapsack in the second stage. As far as we know, this is the first time such a constraint has been used in a two-stage model. The solution techniques are based on the semidefinite relaxations. This allows for solving large instances, for which exact methods cannot be used. Numerical experiments on a set of randomly generated instances are discussed below.     

Synthesis,characterization, and biological activity of some aza‐uracil derivatives

Thiation of 1 by LR gave the corresponding 3,5‐dithioxo derivative 2 and the trimer 3 . Methylation of 1 afforded the S‐methyl derivative 4 . Compound 1 was fused with 6‐bromo‐2‐phenyl‐benzo[1,3‐d]oxazin‐4‐one ( 5 ) and gave 6 . Condensation of 1 with some acid derivatives 7a , 7b , 7c , 7d and/or 8a , 8b , 8c yielded thiadiazolo‐triazine derivatives 9a , 9b , 9c , 9d and 10a , 10b , 10c . Compounds 9a , 9c and 10c were hydrolyzed to furnish 11a , 11b , 11c Acetylation of 14 afforded mono‐ and diacetyl‐derivatives 15 and 16 . Benzoylation of 14 afforded mono‐ and dibezoyl‐derivatives 17 and 18 . 14 with some aromatic aldehydes yielded 9a , 9b , 9c . Reacting 14 with phenyl (iso‐ and/or isothio‐) cyanate gave the urea derivatives 20a , 20b . Thiation of 14 with P₄S₁₀ furnished 21 . The newly synthesized compounds were tested as antimicrobial agents. J. Heterocyclic Chem., (2011)     

Optimizing the thulium doped fiber amplifier (TDFA) gain and noise figure for S-band 16 × 10 Gb/s WDM systems

This paper aims to evaluate a comprehensive numerical model based on solving rate equations of a thulium-doped silica-based fiber amplifier. The pump power and thulium-doped fiber (TDF) length for single-pass thulium-doped fiber amplifiers (TDFA) are theoretically optimized to achieve the optimum gain and noise figure (NF) at the center of S-band region. The 1064 nm pump is used to provide both ground-state and excited state absorptions for amplification in the S-band region. The theoretical result is in agreement with the published experimental result.     

A Spectrophotometric Method for the Determination of Buclizine Hydrochloride Using the Charge-Transfer Spectrum of Buclizine-Iodine Complex

Abstract

A simple and sensitive spectrophotometric method is described for the determination of buclizine hydrochloride in bulk and tablets form. The method is based on the formation of charge-transfer complex between buclizine, as n-donor, and iodine, as Δ acceptor, which measured spectrophotometrically at 295 and 355 nm. A Job's plot indicated a 1:1 complex between the drug and iodine and Beer's law was obeyed in a concentration range of 4–30 μg ml^?1. A more detailed investigation of the complex was made with respect to its association constant and the free energy change. The method is simple and sensitive and has been applied successfully to the analysis of laboratory-made tablets without any interference from the tablet excipients. To validate the method, the results obtained were compared statistically with a newly developed uv-derivative spectrophotometric method. The charge-transfer method was favored due to its higher sensitivity, cheap coast and available equipments.     

Comparative Study of Carbon Paste,Screen Printed,and PVC Potentiometric Sensors Based on Copper‐sulphamethazine Schiff Base Complex for Determination of Iodide – Experimental and Theoretical Approaches

New poly vinyl chloride (PVC) membrane, carbon paste (CP), and screen printed (SP) electrodes are constructed for iodide sensing. They are based on copper (II)‐sulphamethazine Schiff base complex as suitable carrier. Mechanism was proved by FT‐IR and UV‐Vis spectroscopy. Computational study involving binding energies calculations at DFT/B3LYP level of theory confirmed the proposed mechanism and agreed the observed selectivity pattern. Responses are near‐Nernstian (?55.0, ?51.0 mV/concentration decade) for PVC, and SP electrodes, and super‐Nernstian (?61.2 mV/concentration decade) for the CP electrode. Lower limit of detection (3.2×10^?6 mol L^?1) and improved selectivity over the highly interfering thiocyanate were obtained in comparison with the previously reported Schiff base complexes‐based iodide sensors.     

Use of pi-acceptors for spectrophotometric determination of dicyclomine hydrochloride

Simple, rapid, accurate, and sensitive spectrophotometric methods are described for the determination of dicyclomine hydrochloride. The methods are based on the reaction of this drug as an n-electron donor with 2,3-dichloro-5,6-dicyano-p-benzoqunione (DDQ), p-chloranilic acid (p-CA), and chloranil (CL) as pi-acceptors to give highly colored complex species. The colored products are measured spectrophotometrically at 456, 530, and 650 nm for DDQ, p-CA, and CL, respectively. Optimization of the different experimental conditions were studied. Beer's law was obeyed in concentration ranges of 20-100, 50-250, and 80-600 microg/mL for DDQ, pCA, and CL, respectively. Colored complexes are produced in organic solvents and are stable for at least 1 h. The methods were applied to Spasmorest antispasmotic tablets and ampoules with good accuracy and precision.     

Divalent manganese,cobalt, copper and cadmium complexes of (Z)‐N‐benzoyl‐N′‐(1H‐1,2,4‐triazol‐3‐yl)carbamimidothioic acid: Preparation,characterization, computational and biological studies

In this work, (Z)‐N‐benzoyl‐N′‐(1H‐1,2,4‐triazol‐3‐yl)carbamimidothioic acid and its Mn(II), Co(II), Cu(II) and Cd(II) complexes were introduced for the first time. This carbonyl thiourea ligand was prepared by the reaction of 1H‐1,2,4‐triazol‐3‐amine with benzoyl isothiocyanate. The structural elucidation of these compounds was performed using elemental analysis and spectral and magnetic measurements. Octahedral structures of all complexes, except Cd(II) complex with a tetrahedral geometry, were confirmed by applying DFT structural optimization. The thermal decomposition behaviour of metal complexes of carbonyl thiourea ligand is discussed. The calculation of kinetic parameters for prepared complexes (E_a, A, ΔH*, ΔS* and ΔG*) of all thermal degradation stages has been evaluated using two comparable approaches. Antimicrobial and ABTS‐antioxidant studies indicated potent activity of Cd(II) complex compared with the other investigated compounds. The cytotoxic activity of the prepared compounds was investigated in vitro. The results indicated potent activity of Mn(II) complex against both HePG2 (liver carcinoma) and MCF‐7 (breast carcinoma) cancer cells.