In the title compound, C(11)H(14)N(2)O(5)S, the amide O atom acts as a hydrogen-bond acceptor from a carboxyl-ate O atom and a secondary amino N atom. In addition, one of the sulfonyl O atoms and the carbonyl O atom of the carboxyl group also form hydrogen bonds with the primary amido N atom. These intermolecular hydrogen-bonding inter-actions give rise to a layer structure, with the layers par...

COVER ARTICLE Skolnick et al. Why not consider a spherical protein? Implications of backbone hydrogen bonding for protein structure and function The intrinsic ability of protein structures to exhibit the geometric features required for molecular function in the absence of evolution is examined in the context of three systems: the reference set of real, single domain protein structures, a librar...

A series of silylated 2-aminopyrimidines Me(4−n)Si(NHpyr)n (Me = methyl, NHpyr pyrimid-2-ylamino, n 1, 2, 3, 4), i.e., compounds and 4, respectively, was prepared from a the respective chlorosilanes Me(4−n)SiCln 2-aminopyrimidine. Triethylamine used as sacrificial base. Compounds 4 are solid at room temperature. They were analyzed using 1H, 13C, 29Si NMR, Raman spectroscopy, their molecular str...

The PM3 semiempirical quantum-mechanical method was found to systematically describe intermolecular hydrogen bonding in small polar molecules. PM3 shows charge transfer from the donor to acceptor molecules on the order of 0.02-0.06 units of charge when strong hydrogen bonds are formed. The PM3 method is predictive; calculated hydrogen bond energies with an absolute magnitude greater than 2 kcal...

Small molecules with dithieno[3,2-b;2',3'-d]thiophene as central building block and octyl cyanoacetate and octyl cyanoacetamide as different terminal building blocks have been designed and synthesized. The amide containing small molecule can form intermolecular hydrogen bonding between N-H...O = C of the amide group. The photovoltaic properties and active layer morphologies of the two molecules...

The interaction of human serum albumin with Ethyl 2-[2-(dimethylamino)-4-(4-nitrophenyl)- 1,3-thiazole-5-yl]-2-oxoacetate was investigated by using isothermal titration UV-visible spectrophotometry in tris-buffer, pH 7.4. According to these results, it was found that there are a set of 4 binding sites for this ligand on HSA with positive cooperativity in the binding process. This thiazole deriv...

Madder (Rubia tinctorum L.) has been exploited as a dye throughout history. The roots of the plant are very rich in the highly coloured glycosidic compounds ruberythric acid and lucidin primeveroside, alongside the corresponding aglycons which can be readily formed by deglycosylation, particularly during extraction. Supported by (1)H and (13)C NMR data, the conclusive X-ray crystal structure of...