On the generation of circuits and minimal forbidden sets

We present several complexity results related to generation and counting of all circuits of an independence system. Our motivation to study these problems is their relevance in the solution of resource constrained scheduling problems, where an independence system arises as the subsets of jobs that may be scheduled simultaneously. We are interested in the circuits of this system, the so-called minimal forbidden sets, which are minimal subsets of jobs that must not be scheduled simultaneously. As a consequence of the complexity results for general independence systems, we obtain several complexity results in the context of resource constrained scheduling. On that account, we propose and analyze a simple backtracking algorithm that generates all minimal forbidden sets for such problems. The performance of this algorithm, in comparison to a previously suggested divide-and-conquer approach, is evaluated empirically using instances from the project scheduling library PSPLIB.Acknowledgement We appreciate the input of two anonymous referees. Particularly the deep remarks of one of them greatly improved our understanding of several issues; he also suggested the simplified Example 1. We thank Marc Pfetsch and Alexander Grigoriev for several enlightening discussions. Marc Pfetsch also pointed us to the paper [15]. Parts of this work were done while the authors were PhD students at the Technische Universität Berlin, Germany, where Frederik Stork was supported by DFG grant Mo 446/3-3, and Marc Uetz was supported by bmb+f grant 03-MO7TU1-3 and GIF grant I 246-304.02/97.     

Lead isotopic analysis of infant bone tissue dating from the Roman era via multicollector ICP–mass spectrometry

Archaeological samples originating from a cemetery of a Roman settlement, Pretorium Agrippinae (1st–3rd century A.D.), excavated near Valkenburg (The Netherlands) have been subjected to Pb isotopic analysis. The set of samples analysed consisted of infant bone tissue and possible sources of bone lead, such as the surrounding soil, garum, and lead objects (e.g., water pipes). After sample digestion with quantitative Pb recovery and subsequent quantitative and pure isolation of lead, the Pb isotopic composition was determined via multicollector ICP–mass spectrometry. The Pb isotope ratio results allowed distinction of three groups: bone, soil, and lead objects + garum. The ²⁰⁸Pb/²⁰⁶Pb ratio ranges were between 2.059 and 2.081 for the soils, between 2.067 and 2.085 for the bones, and between 2.087 and 2.088 for the lead objects. The garum sample is characterised by a ²⁰⁸Pb/²⁰⁶Pb ratio of 2.085. The bone group is situated on the mixing line between the soil and lead object groups, allowing the statement that diagenesis is not the main cause of the Pb found in the bones.      

Confining the Sol-Gel Reaction at the Water/Oil Interface: Creating Compartmentalized Enzymatic Nano-Organelles for Artificial Cells

Living organisms compartmentalize their catalytic reactions in membranes for increased efficiency and selectivity. To mimic the organelles of eukaryotic cells, we develop a mild approach for in situ encapsulating enzymes in aqueous-core silica nanocapsules. In order to confine the sol-gel reaction at the water/oil interface of miniemulsion, we introduce an aminosilane to the silica precursors, which serves as both catalyst and an amphiphilic anchor that electrostatically assembles with negatively charged hydrolyzed alkoxysilanes at the interface. The semi-permeable shell protects enzymes from proteolytic attack, and allows the transport of reactants and products. The enzyme-carrying nanocapsules, as synthetic nano-organelles, are able to perform cascade reactions when enveloped in a polymer vesicle, mimicking the hierarchically compartmentalized reactions in eukaryotic cells. This in situ encapsulation approach provides a versatile platform for the delivery of biomacromolecules.     

LC–MS–MS Study of the Pharmacokinetics of a 9-β-Dihydro-9,10-O-acetal Derivative of Docetaxel in Rats and Beagle Dogs

SHR110008 is a representative 9-β-dihydro-9,10-O-acetal taxane with greater anticancer activity and less toxicity than docetaxel. To support a preclinical study of its pharmacokinetics and to predict the effect of 9-β-dihydro-9,10-O-acetal modification on its pharmacokinetic properties, we have developed a sensitive and rapid liquid chromatographic–tandem mass spectrometric method for quantitative analysis of SHR110008 in rat and dog plasma. Plasma was extracted with ethyl acetate. The analytes were separated on a 150 × 4.6 mm i.d., 5 μm particle, reversed-phase C₁₈ column with 90:10 (v/v) methanol–0.1% formic acid as mobile phase at a flow rate of 0.3 mL min^?1. Detection was performed by triple-quadrupole tandem mass spectrometry in selected reaction monitoring (SRM) mode with an electrospray ionization source. The precursor-to-product ion transition m/z 933 → 142 was used. The method was validated for accuracy and precision, and linearity in the two matrices was good. Lower limits of quantification (LLOQ) in rat and dog plasma were 5 and 2 ng mL^?1, respectively. There were no stability-related problems in the procedure for analysis of SHR110008. The method was successfully used in a preclinical study of the pharmacokinetics of SHR110008 in rats and beagle dogs. The pharmacokinetics of SHR110008 were non-linear in rats and dogs. The elimination half-life ranged from 5.18 to 7.32 h for the rats and from 6.42 to 8.42 h for the dogs.     

Clifford Theory for Glider Representations

Classical Clifford theory studies the decomposition of simple G-modules into simple H-modules for some normal subgroup H ? G. In this paper we deal with chains of normal subgroups 1?G ₁?· · ·?G _d = G, which allow to consider fragments and in particular glider representations. These are given by a descending chain of vector spaces over some field K and relate different representations of the groups appearing in the chain. Picking some normal subgroup H ? G one obtains a normal subchain and one can construct an induced fragment structure. Moreover, a notion of irreducibility of fragments is introduced, which completes the list of ingredients to perform a Clifford theory.     

Improved determination of isolated trans isomers in edible oils by Fourier transform infrared spectroscopy using spectral reconstitution

A substantially more sensitive and accurate alternative to the single-bounce attenuated total reflectance (SB-ATR) Fourier transform infrared spectroscopic method of AOAC/American Oil Chemists' Society (AOCS) was developed for determination of isolated trans isomers, based on transmission measurements using a technique called spectral reconstitution (SR). The method involves the 1:1.5 dilution of an oil with odorless mineral spirits (OMS) containing a spectral marker. The resulting reduction in sample viscosity facilitates the use of a transmission flow cell, with the spectral marker serving to determine the precise dilution ratio. This allows the spectral contributions of the OMS to be eliminated and a facsimile of the neat oil spectrum to be mathematically reconstituted. The transmission-SR (T-SR) procedure was initially evaluated relative to SB-ATR to track changes in the trans content of mixtures of unhydrogenated canola and a highly hydrogenated sunflower oil (0-30% trans). The results indicated that the T-SR procedure had the potential to serve as the basis of an accurate quantitative method. A subsequent T-SR calibration based on the spectral ratioing principle of the SB-ATR AOACIAOCS method was developed by gravimetrically adding trielaidin (0-4%) to extra virgin olive oil (EVO), producing an excellent linear response with a standard deviation (SD) of < 0.04% trans. Subsequent comparison of SB-ATR and T-SR calibrations developed for 5 oils of different types, each spiked with low levels of trielaidin (0-1.2% trans), clearly indicated that SB-ATR was signal-limited, whereas the T-SR procedure performed well. The EVO calibration was subsequently used to predict the added trans content of these spiked oils, after the spectrum of the corresponding unspiked oil had been ratioed out. The resulting plot of predicted versus added trans was linear, with a slope of 1.02 and an overall SD of <0.05% trans. When the spectra of these oils were ratioed against the spectrum of EVO, the trans predictions for some of the oils were offset by 2-3 percentage points, emphasizing the need for the appropriate trans-free reference oil to perform accurate analyses. If the latter condition is met, then T-SR provides a very simple technique, with the potential for automation, for analysis of oils by transmission spectroscopy, with approximately 20x the sensitivity of the AOAC/AOCS SB-ATR method.     

Stroboscopic XMCD-PEEM imaging of standing and propagating spinwave modes in permalloy thin-film structures

Using synchrotron-based stroboscopic photoemission electron microscopy with X-ray circular dichroism as contrast method, we have investigated the high-frequency response of permalloy thin-film structures. Standing precessional modes have been studied in rectangular elements (16 × 32 μm², 10 nm thick) with a high time resolution of about 15 ps in the low-α mode of BESSY. With increasing amplitude of the applied magnetic AC field the particle is driven from an initial symmetric Landau flux-closure state into an asymmetric state and finally into a single-domain state magnetized perpendicular to the applied field H_AC. The electromagnetic microwave field thus can induces a net magnetization in a small particle. This behaviour is a result of the constant throughput of energy (open system) that allows for an increase of local order, contrary to the usual increase on entropy in closed systems. A propagating spinwave in an ultrathin elliptical particle (semi axes 6 × 12 μm², 3 nm thick) was observed in a snapshot series with 25 ps time increment. The phase front of the spinwave with large precessional angle (bright contrast) propagates with a velocity of 8100 m/s, i.e. much faster than typical domain wall velocities in permalloy.     

Plumbonacrite Identified by X‐ray Powder Diffraction Tomography as a Missing Link during Degradation of Red Lead in a Van Gogh Painting

Red lead, a semiconductor pigment used by artists since antiquity, is known to undergo several discoloration phenomena. These transformations are either described as darkening of the pigment caused by the formation of either plattnerite (β‐PbO₂) or galena (PbS) or as whitening by which red lead is converted into anglesite (PbSO₄) or (hydro)cerussite (2 PbCO₃?Pb(OH)₂; PbCO₃). X‐ray powder diffraction tomography, a powerful analytical method that allows visualization of the internal distribution of different crystalline compounds in complex samples, was used to investigate a microscopic paint sample from a Van Gogh painting. A very rare lead mineral, plumbonacrite (3 PbCO₃? Pb(OH)₂?PbO), was revealed to be present. This is the first reported occurrence of this compound in a painting dating from before the mid 20th century. It constitutes the missing link between on the one hand the photoinduced reduction of red lead and on the other hand (hydro)cerussite, and thus sheds new light on the whitening of red lead.     

Poly(phosphoester)s: A New Platform for Degradable Polymers

Poly(phosphoester)s (PPEs) play an important role in nature. They structure and determine life in the form of deoxy‐ and ribonucleic acid (DNA and RNA), and, as pyrophosphates, they store up chemical energy in organisms. Polymer chemistry, however, is dominated by the nondegradable polyolefins and degradable poly(carboxylic ester)s (PCEs) that are produced on a large scale today. Recent studies have illustrated the potential of PPEs for future applications beyond flame retardancy, and provided a coherent vision to implement this classic biopolymer in modern applications that demand biocompatibility and degradability as well as the possibility to adjust the properties to individual needs.