Two new phenylethanoid glycosides integrifoliosides A (2) and B (3), along with a known phenylethanoid glycoside alyssonoside (1) and a flavone glucoside chrysoeriol-7-O-beta-D-glucopyranoside (4) were isolated from the aerial parts of Phlomis integrifolia. The structures of the new compounds were identified as 3,4-dihydroxy-beta-phenylethoxy-O-beta-D-apiofuranosyl-(1 --> 4)-alpha-L-rhamnopyran...

Electron-energy-loss spectra recorded for monolayer amounts of Li adsorbed on Cu~111! show a loss peak associated with Li vibrations perpendicular to the substrate. The loss energy shifts from 38 meV at low coverage to 43 meV at 0.3 ML and remains constant for coverages between 0.3 and 0.5 ML. The loss intensity passes a maximum at a Li coverage of 0.15 ML and gradually decreases such that it i...

Fast Fourier transform (FFT) correlation methods of protein-protein docking, combined with the clustering of low energy conformations, can find a number of local minima on the energy surface. For most complexes, the locations of the near-native structures can be constrained to the 30 largest clusters, each surrounding a local minimum. However, no reliable further discrimination can be obtained ...

Algorithms are presented for maximally efficient computation of the crystallographic fast Fourier transform (FFT). The approach is applicable to all 230 space groups and allows reduction of both the computation time and the memory usage by a factor equal to the number of symmetry operators. The central idea is a recursive reduction of the problem to a series of transforms on grids with no speci...

We describe the isolation by reversed-phase h.p.l.c. of a number of products of the degradation of insulin by insulin proteinase and their direct analysis by fast atom bombardment mass spectrometry (f.a.b.-m.s.). Various semisynthetically labelled insulins were used, including [[2H2]GlyA1]insulin and [18O]LysB29]insulin. The results obtained confirm and extend the results obtained by non-mass-s...

Short-range repulsion within intermolecular force fields is conventionally described by either Lennard-Jones (A/r(12)) or Born-Mayer (A exp(-Br)) forms. Despite their widespread use, these simple functional forms are often unable to describe the interaction energy accurately over a broad range of intermolecular distances, thus creating challenges in the development of ab initio force fields and...

Progress has been made in the development and application of mechanism-based pharmacodynamic models for describing the drug-specific and physiological factors influencing the time course of responses to the diverse actions of drugs. However, the biological variability in biosignals and the complexity of pharmacological systems often complicate or preclude the direct application of traditional s...