Integral equation formulation for buoyancy-driven convection problems

An integral equation formulation for buoyancy-driven convection problems is developed and illustrated. Buoyancy-driven convection in a bounded cylindrical geometry with a free surface is studied for a range of aspect ratios and Nusselt numbers. The critical Rayleigh number, the nature of the cellular motion, and the heat transfer enhancement are computed using linear theory. Green's functions are used to convert the linear problem into linear Fredholm integral equations. Theorems are proved which establish the properties of the eigenvalues and eigenfunctions of the linear integral operator which appears in these equations.     

Plate-based diversity subset screening: an efficient paradigm for high throughput screening of a large screening file

The screening files of many large companies, including Pfizer, have grown considerably due to internal chemistry efforts, company mergers and acquisitions, external contracted synthesis, or compound purchase schemes. In order to screen the targets of interest in a cost-effective fashion, we devised an easy-to-assemble, plate-based diversity subset (PBDS) that represents almost the entire computed chemical space of the screening file whilst comprising only a fraction of the plates in the collection. In order to create this file, we developed new design principles for the quality assessment of screening plates: the Rule of 40 (Ro40) and a plate selection process that insured excellent coverage of both library chemistry and legacy chemistry space. This paper describes the rationale, design, construction, and performance of the PBDS, that has evolved into the standard paradigm for singleton (one compound per well) high-throughput screening in Pfizer since its introduction in 2006.     

Preface

<正>These two special issues of Acta Mathematica Scientia are dedicated to ProfessorJames Glimm on the occasion of his seventy-fifth birthday.     

Compactness of the Space of Minimal Hypersurfaces with Bounded Volume and <Emphasis Type="Italic">p</Emphasis>-th Jacobi Eigenvalue

Given a closed Riemannian manifold of dimension less than eight, we prove a compactness result for the space of closed, embedded minimal hypersurfaces satisfying a volume bound and a uniform lower bound on the first eigenvalue of the stability operator. When the latter assumption is replaced by a uniform lower bound on the p-th Jacobi eigenvalue for \(p\ge 2\) one gains strong convergence to a smooth limit submanifold away from at most \(p-1\) points.     

Improved Identification and Relative Quantification of Sites of Peptide and Protein Oxidation for Hydroxyl Radical Footprinting

Protein oxidation is typically associated with oxidative stress and aging and affects protein function in normal and pathological processes. Additionally, deliberate oxidative labeling is used to probe protein structure and protein–ligand interactions in hydroxyl radical protein footprinting (HRPF). Oxidation often occurs at multiple sites, leading to mixtures of oxidation isomers that differ only by the site of modification. We utilized sets of synthetic, isomeric “oxidized” peptides to test and compare the ability of electron-transfer dissociation (ETD) and collision-induced dissociation (CID), as well as nano-ultra high performance liquid chromatography (nanoUPLC) separation, to quantitate oxidation isomers with one oxidation at multiple adjacent sites in mixtures of peptides. Tandem mass spectrometry by ETD generates fragment ion ratios that accurately report on relative oxidative modification extent on specific sites, regardless of the charge state of the precursor ion. Conversely, CID was found to generate quantitative MS/MS product ions only at the higher precursor charge state. Oxidized isomers having multiple sites of oxidation in each of two peptide sequences in HRPF product of protein Robo-1 Ig1-2, a protein involved in nervous system axon guidance, were also identified and the oxidation extent at each residue was quantified by ETD without prior liquid chromatography (LC) separation. ETD has proven to be a reliable technique for simultaneous identification and relative quantification of a variety of functionally different oxidation isomers, and is a valuable tool for the study of oxidative stress, as well as for improving spatial resolution for HRPF studies.

Investigating the consistency of woodwind instrument manufacturing by comparing five nominally identical oboes

For large-scale woodwind instrument makers, producing instruments with exactly the same playing characteristics is a constant aim. This paper explores manufacturing consistency by comparing five Howarth S10 student model oboes. Psychophysical testing involving nine musicians is carried out to investigate perceived differences in the playing properties of the two Howarth oboes believed to be most dissimilar. Further testing, involving one musician and combinations of the five oboes, provides information regarding the relative playabilities of the instruments at specific pitches. Meanwhile, input impedance measurements are made on the five oboes for fingerings throughout the playing range and their bore profiles are measured. The main findings are (1) the two instruments used in the preliminary psychophysical testing are perceived as identical by most of the musicians, although differences are identified by two players when playing the note F6 and by one player when playing in the lowest register, (2) a variation in the playability of F6 across the five oboes is due to differences in the elevation of the C key, and (3) variations in the playing properties in the lowest register are related to input impedance differences,which, in turn, appear to be at least partly due to bore profile differences.     

Test of sum rules in nucleon transfer reactions

The quantitative consistency of nucleon transfer reactions as a probe of the occupancy of valence orbits in nuclei is tested. Neutron-adding, neutron-removal, and proton-adding transfer reactions were measured on the four stable even Ni isotopes, with particular attention to the cross section determinations. The data were analyzed consistently in terms of the distorted wave Born approximation to yield spectroscopic factors. Valence-orbit occupancies were extracted, utilizing the Macfarlane-French sum rules. The deduced occupancies are consistent with the changing number of valence neutrons, as are the vacancies for protons, both at the level of <5%. While there has been some debate regarding the true "observability" of spectroscopic factors, the present results indicate that empirically they yield self-consistent results.     

Chaos,transport and mesh convergence for fluid mixing

Chaotic mixing of distinct fluids produces a convoluted structure to the interface separating these fluids. For miscible fluids （as considered here）, this interface is defined as a 50% mass concentration isosurface. For shock wave induced （Richtmyer-Meshkov） instabilities, we find the interface to be increasingly complex as the computational mesh is refined. This interfacial chaos is cut off by viscosity, or by the computational mesh if the Kolmogorov scale is small relative to the mesh. In a regime of converged interface statistics, we then examine mixing, i.e. concentration statistics, regularized by mass diffusion. For Schmidt numbers significantly larger than unity, typical of a liquid or dense plasma, additional mesh refinement is normally needed to overcome numerical mass diffusion and to achieve a converged solution of the mixing problem. However, with the benefit of front tracking and with an algorithm that allows limited interface diffusion, we can assure convergence uniformly in the Schmidt number. We show that different solutions result from variation of the Schmidt number. We propose subgrid viscosity and mass diffusion parameterizations which might allow converged solutions at realistic grid levels.     

Untersuchung von Milch

Ohne Zusammenfassung