The PM3 quantum-mechanical method is able to model the magic water clusters (H20),, and (H20)&+. Results indicate that the H30+ ion is tightly bound within the (H20),, cluster by multiple hydrogen bonds, causing deformation to the symmetric (HzO),, pentagonal dodecahedron structure. The structures, energetics, and hydrogen bond patterns of six local minima (H20)21H+ clusters are presented.

Interactions of porphyrin derivatives 5,10,15,20-tetrakis(N-methylpyridinium-4-yl)-21H,23H-porphyrin (TMPyP4) and 5,10,15,20-tetrakis(N-propylpyridinium-4-yl)-21H,23H-porphyrin (TPrPyP4) with human telomeric AG(3)(T(2)AG(3))(3) G-quadruplex DNAs in 150 mM K(+)-containing buffer in the presence or absence of 40% molecular crowding agent poly(ethylene glycol) (PEG 200) were studied by absorption ...

A series of new hexahydroquinoline and 1,4-dihydropyrimidine derivatives were synthesized. Condensation of 2-methyl- thiazole-4-carboxaldehyde (1) with 1,3-cyclohexanedione and alkyl 3- aminocrotonate afforded 4-(2-methyl-thiazol-4-yl)-hexahydroquinoline while condensation of aldehyde (1) with benzoyl acetone and thiourea gave 1,4-dihydropyrimidine derivatives. The stereochemistry of 1,4-dihydr...

The interactions of the ILPR sequence (ILPR = "insulin-linked polymorphic region") a2 [d(ACAG4TGTG4ACAG4TGTG4)] with [2.2.2]heptamethinecyanine derivatives 1a-e and with the already established quadruplex ligands coralyne (2), 3,3'-[2,6-pyridinediylbis(carbonylimino)]bis[1-methylquinolinium] (3), 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis[1-methylpyridinium] (4), naphtho[2,1-b:...

nano-sbcl5.sio2 and sbcl5.sio2 are bench-top catalysts which are reusable, readily available, versatile andefficient for promotion of many acid catalyzed organic reactions. these catalysts do not need specialprecautions for preparation, handling or storage, and they can be stored at an ambient temperature for monthswithout losing their catalytic activity. 4-dihydropyrimidin-2(1h)-ones(thiones) ...

We report herein the synthesis of a new biologically active 3,4-dihydropyrimidin-2(1H)-thione derivative (4) from 9-phenanthrenecarboxaldehyde, thiourea, and methyl acetoacetate by Biginelli reaction. The structure synthesized compound was investigated NMR spectroscopy, mass spectrometry, elemental analysis. Moreover, to gain insight into conformation crystal packing, novel dihydropyrimidine al...

two simple protocols for the synthesis of three-component condensation reaction of an aldehyde, β-ketoester and urea or thiourea to obtain the 3, 4-dihydropyrimidin-2(1h)-ones (thiones) using nano silica phosphoric acid are reported. short reaction times, high yields, reusability of catalyst and easy workup are some advantages of these protocols.

Three new metal coordination polymers, namely, [Co(DPP)2(H2O)2]·(BS)2·2H2O (1), [Co(DPP)2(H2O)2]·(ABS)2·2H2O (2) and [Co(DPP)2(MBS)2] (3) [DPP = 1,3-di(pyridin-4-yl)propane, BS = phenyl sulfonic acid, ABS = p-aminobenzene sulfonic acid, MBS = p-methylbenzene sulfonic acid] were obtained under hydrothermal conditions. Complexes 1-3 were structurally characterized using X-ray single-crystal diffr...

An N-halamine precursor 2-(3-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)ureido)ethyl methacrylate (SCMHBMA) was synthesized and grafted on cotton fabrics via atom transfer radical polymerization for antibacterial function after chlorination. The preparation chlorinated (Cotton-g-PSMA-Cl) were characterized with FTIR, XPS, SEM, TGA. properties of prepared Cotton-g-PSMA-Cl, including thermal prope...