Synthesis of New Pyrimidine,Quinazoline and Diazatricyclo Derivatives by Multicomponent Reaction and Evaluation of Their Biological Activity

Abstract

A series of new pyrimidine and quinazoline derivatives was synthesized by a Biginelli-like reaction of urea/thiourea, aldehyde, and ketone in the presence of hydrochloric acid as a catalyst. In a similar way, some novel diazatricyclo derivatives were obtained via a Biginelli-like reaction followed by an intramolecular Michael-type addition. The yields of products were reasonable after recrystallization from ethanol. All newly synthesized compounds were characterized using IR and NMR (¹H and ¹³C) spectroscopy and elemental analysis. The antibacterial activity of these compounds was investigated against Staphylococcus aureus (RTCC, 1885), and Escherichia Coli (ATCC, 35922).

Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.     

Synthesis of α-aminonitriles using silica-bonded N-propylpiperazine sulfamic acid as a recyclable catalyst

<正>α-Aminonitriles were synthesized via a one-pot three-component condensation of aldehydes,amines,and trimethylsilyl cyanide using silica-bonded N-propylpiperazine sulfamic acid(SBPPSA) as a recyclable solid acid at room temperature.SBPPSA showed much the same efficiency when used in consecutive reaction runs.     

硅胶键合N-丙基二乙烯氨基磺酸作为可回收固体酸催化剂催化合成α-氨基腈(英文)

Silica-bonded N-propyl diethylenetriamine sulfamic acid (SBPDSA) is employed as a recyclable catalyst to synthesize α-aminonitriles. These syntheses involved one-pot condensation of an aldehyde, an amine, and trimethylsilyl cyanide under mild reaction conditions at room temperature. SBPDSA was recycled seven times in the condensation of benzaldehyde, aniline, and trimethylsilyl cyanide without reduction of its catalytic activity.     

Develop dissipative particle dynamics method to study the fluid flow and heat transfer of Ar and O2 flows in the micro- and nanochannels with precise atomic arrangement versus molecular dynamics approach

Fluid atomic behavior is an important factor for industrial applications. Computer simulations based on simple models predict Poiseuille flow for these atomic structures with the presence of external force. In this work, we describe the dynamical properties of Ar and O₂ flows with precise atomic arrangement via dissipative particle dynamics (DPD) and molecular dynamics (MD) simulation approaches. In these methods, each model is represented by using Large-scale Atomic/Molecular Massively Parallel Simulator package. Simulation results show that maximum rate for velocity of Ar flow in platinum and copper microchannels is 0.100 (unit less)/0.091 Å ps^?1 and 0.121 (unit less)/0.105 Å ps^?1 by using DPD/MD approach. This atomic parameter changes to 0.111 (unit less)/0.102 Å ps^?1 and 0.125 (unit less)/0.108 Å ps^?1 for O₂ fluid with mentioned approaches. By decreasing the microchannel size, the maximum rate of velocity reaches to 0.101 (unit less)/0.099 Å ps^?1 and maximum temperature rate decreases to 485 (unit less)/440 K with DPD/MD approaches. These calculated parameters can be used in industrial application designing for some processes such as heat transfer in structures. It was seen that the developed DPD approach was able to simulate the fluid flow and heat transfer of various types of fluids at micro- and nanoscales with suitable accuracy versus MD.

     

Prioritization of medical equipment for maintenance decisions

Clinical engineering departments in hospitals are responsible for establishing and regulating a Medical Equipment Management Program to ensure that medical devices are safe and reliable. In order to mitigate functional failures, significant and critical devices should be identified and prioritized. In this paper, we present a multi-criteria decision-making model to prioritize medical devices according to their criticality. Devices with lower criticality scores can be assigned a lower priority in a maintenance management program. However, those with higher scores should be investigated in detail to find the reasons for their higher criticality, and appropriate actions, such as ‘preventive maintenance’, ‘user training’, ‘redesigning the device’, etc, should be taken. In this paper,we also describe how individual score values obtained for each criterion can be used to establish guidelines for appropriate maintenance strategies for different classes of devices. The information of 26 different medical devices is extracted from a hospital's maintenance management system to illustrate an application of the proposed model.     

Nonlinear vibration mitigation of a flexible rotor shaft carrying a longitudinally dispositioned unbalanced rigid disc

Nonlinear Dynamics - This study is dedicated to investigate the nonlinear dynamics of a system composed of a flexible rotor shaft carrying a longitudinally dispositioned unbalanced rigid disc. The...     

Monodisperse silica nanoparticles coated with gold nanoparticles as a sorbent for the extraction of phenol and dihydroxybenzenes from water samples based on dispersive micro‐solid‐phase extraction: Response surface methodology

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Shape control of nanostructured TiO2 using a Schiff base ligand via sol–gel hydrothermal method

Employing a Schiff base ligand in a hydrothermal sol–gel method for preparation of TiO₂ nanostructures was studied. The as-prepared products were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectrum, electron dispersive X-ray spectroscopy and ultraviolet–visible spectroscopy. It is shown that in the controlled reaction conditions, a Schiff base ligand containing hard atoms is capable of driving the growth mechanism in a way that anisotropic shapes of TiO₂ nanostructures are formed. Considering the structure of the Schiff base ligand, the possible growth mechanism of TiO₂ nanostructures is proposed. The optical studied as well as calculated molecular orbital structure of ligand by density functional theory is done.     

An efficient electrochemical synthesis of diamino-o-benzoquinone: mechanistic and kinetic evaluation of the reaction of azide ion with o-benzoquinone

An efficient method for the synthesis of diamino-o-benzoquinone based on the Michael reaction of electrochemically generated o-benzoquinone with azide ion is described, as well as an estimation of the homogeneous rate constant (k(obs)) of the reaction of o-benzoquinone with azide ion by the digital-simulation method.     

Extraction of phenolic compounds from environmental water samples using oil-in-water emulsions

A fast, sensitive and simple oil-in-water emulsion (OWE) method was developed for extraction of four phenolic pollutants in environmental water samples followed by gas chromatography and flame ionization detection. In this method, the density of a binary organic solvent (one heavier and one lighter than the sample) was balanced with the density of the sample solution. A stable emulsion was formed at room temperature under vigorous stirring using a Teflon-coated magnetic stirring bar. After addition of 10 µL of the heavier organic solvent and centrifugation, phase separation occurred. The influence of several important parameters on the extraction efficiency of phenolic compounds was evaluated. Under optimized experimental conditions, the calibration graphs were linear in the concentration range 0.025–20 mg L^?1 with coefficients of determination more than 0.9994. The limits of detection and quantification were in the range 19.2–76.0 and 64.1–251.0 μg L^?1, respectively. Intra-day and inter-day precisions were less than 5.0 %. The procedure was used for the determination of phenolic compounds in spiked water samples with good results. Recoveries range from 96.5 to 103.0%, and relative standard deviations are <2.5% (for n?=?3).