A Green Protocol for Simple One‐pot Synthesis of New Pyrimidine Derivatives Both Microwave Irradiation and Conventional Heating: Reactions,Characterization, and Theoretical Calculations

In this research, 5‐benzoyl‐6‐phenyl‐4‐(4‐trifluoromethylphenyl)‐2‐{oxo and thioxo}‐3,4‐dihydro‐1H‐pyrimidines ( 1 , 2 ) were synthesized by using multicomponent cyclocondensation reaction under microwave irradiation and classical heating. Compounds 3 , 4 , 6 , 7 , and 8 obtained reactions of 5‐benzoyl‐6‐phenyl‐4‐(4‐trifluoromethylphenyl)‐2‐thioxo‐3,4‐dihydro‐1H‐pyrimidine ( 1 ) and acetic anhydride, diethyl 2‐bromomalonate, bromoacetic acid, 3‐bromopropionic acid, methyl iodide, respectively. Compound 4 was both acetylated and hydrolyzed in acetic acid to give compound 5 . The structures of all compounds were determined by using spectroscopic techniques like FT‐IR, ¹H/¹³C NMR, and elemental analyses, and the structures of compounds 1 and 3 were analyzed by X‐ray crystal analysis. In addition, the quantum chemical parameters and full geometry optimizations for all compounds were computed using density functional theory based on B3LYP and the 6‐31G (d, p) basis set.     

Preparation of a New Polymeric Surfactant for Emulsion Polymerization

The stability of polymeric dispersions is a property of practical importance and hence, the search for an optimized strategy to equip polymer dispersions with sufficient stability is a matter of continuous research during the last years. The kernel is to reach a sufficient stability, as it is required during polymerization, conditioning, or storage and to allow coagulation or coalescence of particles when it is needed, such as during separation of polymer from latex or during film formation. In this study, the emulsion homopolymerization system containing vinyl acetate, potassium persulfate, new polymeric surfactant, NaHCO₃ and water was studied in the classical glass emulsion polymerization reactor. The effects of new polymeric emulsifier on the physicochemical properties of obtained vinyl acetate latex properties were investigated depending on vinyl acetate percentage in homopolymerization.     

Hydromagnetic flow between two porous disks rotating about non-coincident axes

Hydromagnetic flow between two porous disks rotating with same angular velocity Ω about two noncoincident axes has been studied in the presence of a uniform transverse magnetic field. An exact solution of the governing equations has been obtained in a closed form. It is found that the primary velocity f/Ωl increases and the secondary velocity g/Ωl decreases with increase in either Reynolds number Re or the Hartman number M. It is also found that the torque at the disk η= 0 increases with increase in either M^2 or K^2. On the other hand there is no torque at the disk η= 1 for large M^2 and K^2. The heat transfer characteristic has also been studied on taking viscous and Joule dissipation into account. It is seen that the temperature increases with increase in either M^2 or K^2. It is found that the rate of heat transfer at the disk η= 0 increases with increase in either M or K. On the other hand the rate of heat transfer at the disk η= 1 increases with increase in K but decreases with increase in M.     

Volume Contents

Volume Contents

Volume Contents     

Identification of a spacewise dependent heat source

The inverse problem of determining the temperature of a heat conductor together with an unknown spacewise dependent heat source from measured final data or time-average temperature observation is studied. The weak solution theory is applied for calculating the gradient of the least-squares functional that is minimized. For the general case when the heat source is the product between a known function h(x,t)$h(x\text{,}t)$ and the unknown source function f(x)$f(x)$ new explicit formulae, derived via the solution of the corresponding adjoint problem, are obtained. Numerical results obtained using the conjugate gradient method are presented and discussed.     

A Bernoulli polynomial approach with residual correction for solving mixed linear Fredholm integro-differential-difference equations

In this study, an approximate method based on Bernoulli polynomials and collocation points has been presented to obtain the solution of higher order linear Fredholm integro-differential-difference equations with the mixed conditions. The method we have used consists of reducing the problem to a matrix equation which corresponds to a system of linear algebraic equations. The obtained matrix equation is based on the matrix forms of Bernoulli polynomials and their derivatives by means of collocations. The solutions are obtained as the truncated Bernoulli series which are defined in the interval [a,b]. To illustrate the method, it is applied to the initial and boundary values. Also error analysis and numerical examples are included to demonstrate the validity and applicability of the technique.     

Diffusion-weighted imaging evaluation of subtle cerebral microstructural changes in intrauterine fetal hydrocephalus

OBJECTIVE: Hydrocephalus is an important etiological factor in neurological decline. With the advent of fetal ultrasound, fetal hydrocephalus is now more frequently detected than in the past. Ultrasonography (USG) provides information on general morphology, but microstructural changes that may play a prognostic role are beyond the resolution of that technique. These changes may theoretically be revealed by diffusion-weighted magnetic resonance imaging (DW-MRI). In this study, our preliminary findings of DW-MRI on the hydrocephalic fetuses are presented. MATERIALS AND METHODS: Twelve fetuses with fetal USG diagnosis of hydrocephalus were investigated using a 1.5-T MR scanner. In addition to conventional techniques, DWI was performed. It was obtained using a single-shot echo-planar imaging sequence (TR/TE: 4393/81 ms; slice thickness: 5 mm; interslice gap: 1 mm; FOV: 230 mm; matrix size: 128x256; b values: 0 and 1000 s/mm2). Apparent diffusion coefficient (ADC) values were measured in the white matter of the periventricular frontal and occipital lobes, basal ganglia, thalamus, centrum semiovale and cerebrospinal fluid in the lateral ventricle. These values were compared with the normal prenatal ADC values from a radiological study published in the literature. RESULTS: All fetuses had moderate or severe bilateral supratentorial ventricular dilatation that was compatible with hydrocephalus. On conventional T1- and T2-weighted imaging, cerebral parenchyma had normal signal pattern and ADC values were significantly lower than those reported for fetuses with normal brain. These values were lower in hydrocephalic fetuses with statistical significance (P<.05-.01). CONCLUSION: DWI is a sensitive technique to investigate cerebral microstructure. The reduction in cerebral blood flow and alterations in cerebral energy metabolism in cases with hydrocephalus have been shown before. Changes in cerebral blood flow and energy metabolism, as a consequence of cerebral compression, may occur in hydrocephalus. Elevated ventricular pressure may cause cerebral ischemia. The anaerobic glycolysis seen in the hydrocephalic brain tissue by increasing the lactate concentration and intracellular fluid flux may be the reason for the reduced ADC values in hydrocephalic fetuses. However, long-term prospective trials on the correlation of ADC values and neurological outcome are necessary to exploit the full benefit of that novel technique.     

Near-IR single fluorophore quenching system based on phthalocyanine (Pc) aggregation and its application for monitoring inhibitor/activator action on a therapeutic target: L1-EN

Controlled H-aggregation of single Pc-labeled oligonucleotides is utilized as a fluorescence quenching system to discern changes in enzyme activity for the discovery of inhibitors for Long Interspersed Element 1 endonuclease (L1-EN), which is involved in genome instability and implicated in many different diseases.     

Synthesis and Characterization of a New Dioxime and Its Heterotrinuclear BF2 + Capped Complexes

ω‐Isonitrosoacetophenone 1 Uçan, H. ? and Mirzao?lu, R. 1990. Synth. React. Inorg. Met.‐Org. Chem., 20: 437[Taylor & Francis Online], [Web of Science ®] , [Google Scholar], phenylglyoxime 2 Burakevich, J. V., Lore, A. M. and Volpp, G. P. 1971. J. Org. Chem., 36: 1[Crossref], [Web of Science ®] , [Google Scholar], chlorophenylglyoxime 1 Uçan, H. ? and Mirzao?lu, R. 1990. Synth. React. Inorg. Met.‐Org. Chem., 20: 437[Taylor & Francis Online], [Web of Science ®] , [Google Scholar], dopaminophenylglyoxime 3 Uysal, ?., Co?kun, A., Koç, Z. E., Uçan, M. and Uçan, H. ?. 2007. R. J. Coord. Chem., 33: 351–357. [Crossref] , [Google Scholar] and [(salen/saloph)Fe]₂O 4 Kopel, P., Sindelar, Z. and Klicka, R. 1998. Trans. Met. Chem., 23: 139[Web of Science ®] , [Google Scholar] have been synthesized as described in the literature procedure. [Fe(III)(salen/saloph)dopaminophenylglyoxime)] (starting complexes) have been synthesized from dopaminophenylglyoxime and tetradentate schiff bases which contain dinuclear Fe(III) oxygen‐bridges N,N′‐bis(salicylidene)ethylenediamine (salenH₂) and bis(salicylidene)‐o‐phenylenediamine (salophH₂). The new heterotrinuclear complexes have been obtained from starting complexes and Co(II), Ni(II), Cu(II) salts. Then, heterotrinuclear vic‐dioxime complexes containing BF₂ ⁺ capped have been synthesized. The complexes have been characterized as low‐spin distorted octahedral Fe(III) bridged by o‐hydroxyphenolic groups. The o‐hydroxyphenolic groups play a role as bridges for weak antiferromagnetic intramolecular exchange. The structure of dioxime and its complexes were identified by using elemental analysis, ICP‐AES, ¹H‐NMR and IR spectral data.     

A resource investment problem with time/resource trade-offs

In this study, we consider a Resource Investment Problem with time/resource trade-offs in project networks. We assume that there is a single renewable resource and the processing requirement of an activity can be reduced by investing extra resources. Our aim is to minimize the maximum resource usage, hence, the total amount invested for the single resource, while meeting the pre-specified deadline. We formulate the problem as a mixed integer linear model and find optimal solutions for small-sized problem instances. For large-sized problem instances, we propose a heuristic solution procedure. We develop several lower bounds and use them to evaluate the performance of our heuristic procedure. The results of our computational experiments have revealed the satisfactory behaviour of our optimality properties, lower bounds and heuristic procedure.