Synthesis,biological evaluation and molecular docking study of dihydropyrimidine derivatives as potential anticancer agents

A series of dihydropyrimidine analogues were prepared via one-pot Biginelli three-component condensation reaction and characterized by NMR, FT-IR, MS spectra, and element analysis. Subsequently, they were screened for in vitro anticancer effect. These analogues revealed good cytotoxic activity against three human cancer cell lines including MCF-7, HepG-2, and A549. Among these analogues, compounds 4d and 4h were the most potent against three cell lines. Cell viability assays indicated 4a and 4c had lower cytotoxicity. In vitro cytotoxicity study on all synthesized compounds demonstrated that introduction of electron withdrawing substituents on C4 position of phenyl ring of dihydropyrimidine contributed to the antiproliferative potency. Moreover, in silico molecular docking results stipulated a sign of good correlation between experimental activity and calculated binding affinity. It proved 4d and 4h as the strongest compounds. Binding modes of analogues proposed the involvement of hydrophobic interactions and hydrogen bonds with Eg5 active site. Structure activity relationship studies indicated that incorporating electron withdrawing substituents on C4 position of phenyl ring of dihydropyrimidine are important for this biological activity.     

The experimental/numerical investigation of variations in strip speed,water shower pattern and water temperature on high-temperature strip cooling rate in hot strip mill

Journal of Thermal Analysis and Calorimetry - Hot-rolled strips are cooled on the run-out table to achieve the customer-required mechanical properties. Cooling reduces the oxidation, which can...     

Fibrous nanosilica spheres KCC-1@NH2 as highly effective and easily retrievable catalyst for the synthesis of chromenes

Research on Chemical Intermediates - A three-component reaction of naphthalene-1,5-diol, malononitrile and aromatic aldehydes has been achieved in the presence of fibrous nanosilica spheres...     

Copper chromite decorated on nitrogen-doped graphene aerogel as an efficient catalyst for thermal decomposition of ammonium perchlorate particles

Journal of Thermal Analysis and Calorimetry - The present study reports numerical simulations of water-based Al2O3 nanofluid flowing in a 2D channel with a heated wall-mounted obstacle. The...     

l‐Proline‐functionalized Fe3O4 nanoparticles as a novel magnetic chiral catalyst for the direct asymmetric Mannich reaction

l ‐Proline has been successfully anchored on the surface of magnetic nanoparticles and characterized using powder X‐ray diffraction, scanning electron microscopy, vibrating sample magnetometry and Fourier transform infrared spectroscopy. These nanoparticles as a chiral catalyst have been employed to promote the direct asymmetric Mannich reaction. The corresponding products are obtained in high yields with high level of diastereoselectivity (up to 99:1 dr) in the presence of Fe₃O₄– l ‐proline. Also this heterogeneous catalyst can be recovered easily and reused many times without significant loss of its catalytic activity. Copyright © 2015 John Wiley & Sons, Ltd.     

On-line packed magnetic in-tube solid phase microextraction of acidic drugs such as naproxen and indomethacin by using Fe<Subscript>3</Subscript>O<Subscript>4</Subscript>@SiO<Subscript>2</Subscript>@layered double hydroxide nanoparticles with high anion exchange capacity

The authors describe a 3-component nanoparticle system composed of a silica-coated magnetite (Fe₃O₄) core and a layered double (Cu-Cr) hydroxide nanoplatelet shell. The sorbent has a high anion exchange capacity for extraction anionic species. A simple online system, referred to as "on-line packed magnetic-in-tube solid phase microextraction" was designed. The nanoparticles were placed in a stainless steel cartridge via dry packing. The cartridge was then applied to the preconcentration acidic drugs including naproxen and indomethacin from urine and plasma. Extraction and desorption times, pH values of the sample solution and flow rates of sample solution and eluent were optimized. Analytes were then quantified by HPLC with UV detection. Under optimal conditions, the limits of detection range from 70 to 800 ng L^?1, with linear responses from 0.1–500 μg L^?1 (water samples), 0.6–500 μg L^?1 (spiked urine), and 0.9–500 μg L^?1 (spiked plasma). The inter- and intra-assay precisions (RSDs, for n?=?5) are in the range of 2.2–5.4%, 2.8–4.9%, and 2.0–5.2% at concentration levels of 5, 25 and 50 μg L^?1, respectively. The method was applied to the analysis of the drugs in spiked human urine and plasma, and good results were achieved.

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Graphical abstract Fe₃O₄@SiO₂@CuCr-LDH magnetic nanoparticles were synthesized and packed in to a stainless steel column. The column was applied to solid phase microextraction of acidic drugs from biological samples.

     

Sonication-assisted preparation of a nanocomposite consisting of reduced graphene oxide and CdSe quantum dots,and its application to simultaneous voltammetric determination of ascorbic acid,dopamine and uric acid

Microchimica Acta - Accurate detection of temperature and oxygen concentration at the cellular level is important in tumor diagnosis. Multifunctional nanocomposites are described that consist of...     

Extraction and separation of zirconium from hafnium by using nano-structured supramolecular solvent microextraction method

In the present study, a simple versatile extraction method based on supramolecular solvent microextraction followed by inductively coupled plasma atomic emission spectrometry was developed for the extraction, separation and determination of zirconium (Zr) from hafnium (Hf). Zr and Hf were complexed with bis(2,4,4-trimethylpentyl) phosphinic acid, to obtain hydrophobic complex, and extracted into supramolecular solvent phase. The effective parameters on the supramolecular solvent microextraction efficiency were studied and optimized by using two different optimization methods: one variable at a time and central composite design. Under the optimum conditions, the linear range of 0.3–200.0 and 2.0–200.0 µg L^?1, detection limits (S/N = 3) of 0.1 and 0.6 µg L^?1, and precisions (n = 5) of 3.2–4.9% and 3.0–5.1% were obtained for Zr and Hf, respectively. Finally, the proposed method has been successfully applied for the extraction and separation of these cations in zirconium ore sample.     

4-(4′-Diamino-di-phenyl)-sulfone supported on hollow magnetic mesoporous Fe3O4@SiO2 NPs: As a reusable and efficient catalyst for the synthesis of ethyl 2-amino-5,10-dihydro-5,10-dioxo-4-phenyl-4H benzo[g]chromene-3-carboxylates

4-(4′-diamino-di-phenyl)-sulfone supported on hollow magnetic mesoporous (HMMS) Fe₃O₄@SiO₂ NPs has been used as a novel and efficient catalyst in the preparation of ethyl 2-amino-5,10-dihydro-5,10-dioxo-4-phenyl-4H benzo[g]chromene-3-carboxylates by a simple one-pot three-component reaction of aldehydes, ethyl cyanoacetate and 2-hydroxynaphthalene-1,4-dione under reflux conditions in ethanol. Wide range of products, excellent yields in short times, reusability of the catalyst, low catalyst loading and environmental benignity are some of the important features of this protocol.     

KAl(SO4)2 · 12H2O (alum) a reusable catalyst for the synthesis of some 4-substituted coumarins via Pechmann reaction under solvent-free conditions

A simple, efficient, and practical procedure for the Pechmann condensation using KAl(SO₄)₂ · 12H₂O (alum) as a non-toxic, reusable, inexpensive, and easily available catalyst is described under solvent-free condition at 65°C. These improved reaction conditions allow the preparation of a wide variety of some new substituted coumarins in high yields (86–96%) and purity under mild reaction conditions. Compared to the classical Pechmann condensation, this new method consistently has the advantage of high yields. Correspondence: Ali A. Mohammadi, Department of Chemistry, Shahid Beheshti University, P.O. Box 19839-4716, Tehran, Iran.