Transient-state transport in some finite systems. Part I. A simple (two-stage) cascade

Some formal theory of transport in and through a simple (two-stage) cascade is presented. The treatment relates to a constant diffusion coefficient with solution or sorption obeying Henry's law. Detailed consideration is given to the time-dependence of the pressure of diffusant in the intermediate volume of the cascade. Time-lags associated with transport through the cascade have been evaluated and some of their properties indicated. The separation of binary gas mixtures is considered.     

Re-entrant magnetic behaviour in amorphous Fe-rich Fe100−x Zr x alloys

We report results of⁵⁷Fe Mössbauer measurements on the magnetically concentrated re-entrant amorphous Fe₁₀₀?xZr _x alloys (8≤x≤12) which give convincing evidence for a microscopic origin of the low-temperature magnetization anomaly atT _f<T _c. This is shown by an anomalous increase in the magnetic hyperfine field and in the relative intensities of the (?m=0)-Mössbauer lines belowT _f upon cooling. No evidence was found for an antiferromagnetic phase. The shape of the hyperfine-field distribution atT=4.2 K in zero external field and in a field of 3 T is unchanged, indicating homogeneous behaviour of all Fe moments near saturation. Ferromagnetic order is not long-ranged, but determined by exchange-coupled magnetic clusters. The cluster moment nearT _c is found to decrease strongly with increasing Fe content and extrapolates to zero atx≈96.     

Clarification of the limit of detection in chromatography

Summary Current problems with the limit of detection (LOD) concept in chromatography are reviewed. They include the confusion of the LOD with other separate, distinct concepts in trace analysis such as the minimum detectability (MD); the use of arbitrary, unjustified models for the calculation of the LOD; the use of concentration units instead of units of amount; and the failure to account for differences in chromatographic conditions when comparing LODS.Solutions to these LOD problems are discussed. Two models are proposed for calculating the chromatographic LOD. A new concept, the standardized chromatographic LOD, is introduced to account for differences in chromatographic bandwidths of experimentally measured LODs. The standardized chromatographic LOD is shown to be a more reliable parameter than the conventional (non-standardized) chromatographic LOD.This paper is published as a discussion mateiral. We welcome comments from our readers.     

Ligand-passivated Eu:Y2O3 nanocrystals as a phosphor for white light emitting diodes

Eu(III)-doped Y(2)O(3) nanocrystals are prepared by microwave synthetic methods as spherical 6.4 ± 1.5 nm nanocrystals with a cubic crystal structure. The surface of the nanocrystal is passivated by acetylacetonate (acac) and HDA on the Y exposed facet of the nanocrystal. The presence of acac on the nanocrystal surface gives rise to a strong S(0) → S(1) (π → π*, acac) and acac → Ln(3+) ligand to metal charge transfer (LMCT) transitions at 270 and 370 nm, respectively, in the Eu:Y(2)O(3) nanocrystal. Excitation into the S(0) → S(1) (π → π*) or acac → Ln(3+) LMCT transition leads to the production of white light emission arising from efficient intramolecular energy transfer to the Y(2)O(3) oxygen vacancies and the Eu(III) Judd-Ofelt f-f transitions. The acac passivant is thermally stable below 400 °C, and its presence is evidenced by UV-vis absorption, FT-IR, and NMR measurements. The presence of the low-lying acac levels allows UV LED pumping of the solid phosphor, leading to high quantum efficiency (～19%) when pumped at 370 nm, high-quality white light color rendering (CIE coordinates 0.33 and 0.35), a high scotopic-to-photopic ratio (S/P = 2.21), and thermal stability. In a LED lighting package luminosities of 100 lm W(-1) were obtained, which are competitive with current commercial lighting technology. The use of the passivant to funnel energy to the lanthanide emitter via a molecular antenna effect represents a new paradigm for designing phosphors for LED-pumped white light.     

Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries

The synthesis and diversification of a densely functionalized azetidine ring system to gain access to a wide variety of fused, bridged, and spirocyclic ring systems is described. The in vitro physicochemical and pharmacokinetic properties of representative library members are measured in order to evaluate the use of these scaffolds for the generation of lead-like molecules to be used in targeting the central nervous system. The solid-phase synthesis of a 1976-membered library of spirocyclic azetidines is also described.     

Synthesis of calcineurin-resistant derivatives of FK506 and selection of compensatory receptors

We used olefin metathesis to synthesize C40 derivatives of FK506 and measured their ability, when complexed to FKBP12, to inhibit calcineurin's phosphatase activity. We identified modular dimerization domains (CABs) containing segments of the calcineurin A and B polypeptides. These CABs respond to FK506 both when overexpressed in mammalian cells and in yeast or mammalian three-hybrid assays. Using chemical genetic selection, we identified compensatory mutant CABs that respond to a calcineurin-resistant FK506 derivative at concentrations well below the response threshold for CABs containing only wild-type calcineurin sequence. These reagents provide a small molecule-protein combination orthogonal to existing dimerizer systems and may be used with existing systems to increase the complexity of induced-proximity experiments. This new use of the "bump-hole" strategy protects target cells from complications arising from the inhibition of endogenous calcineurin.     

Avionics reliability analysis

The U.S. Air Force is developing an Integrated Communications, Navigation, and Identification Avionics (aviation electronics) system with the acronym ICNIA for use in tactical aircraft. Designers of ICNIA as well as the Air Force need to be informed of the reliability of proposed designs. Hence, the Air Force contracted The Analytic Sciences Corporation (TASC) to develop a model of the ICNIA system and to develop algorithms for determining various system performance measures such as the system reliability. TASC developed the ICNIA model and developed a software package called MIREM to analyze ICNIA systems. Unfortunately, due to the complexity of ICNIA, the developers of MIREM were forced to incorporate several approximations in MIREM. In the report by Foley [2], we showed that these approximations can perform poorly in some artificially constructed examples. Their accuracy on realistic examples is unknown. We have developed and implemented two algorithms for analyzing ICNIA. The algorithms do not use any approximations and are computationally feasible on realistic sized examples. It is recommended that MIREM be modified to use the algorithms described in this paper.     

Segmental dynamics of polymers in nanoscopic confinements,as probed by simulations of polymer/layered-silicate nanocomposites

In this paper we review molecular modeling investigations of polymer/layered-silicate intercalates, as model systems to explore polymers in nanoscopically confined spaces. The atomic-scale picture, as revealed by computer simulations, is presented in the context of salient results from a wide range of experimental techniques. This approach provides insights into how polymeric segmental dynamics are affected by severe geometric constraints. Focusing on intercalated systems, i.e. polystyrene (PS) in 2 nm wide slit-pores and polyethylene-oxide (PEO) in 1 nm wide slit-pores, a very rich picture for the segmental dynamics is unveiled, despite the topological constraints imposed by the confining solid surfaces. On a local scale, intercalated polymers exhibit a very wide distribution of segmental relaxation times (ranging from ultra-fast to ultra-slow, over a wide range of temperatures). In both cases (PS and PEO), the segmental relaxations originate from the confinement-induced local density variations. Additionally, where there exist special interactions between the polymer and the confining surfaces (e.g., PEO) more molecular mechanisms are identified.Received: 1 January 2003, Published online: 14 October 2003PACS: 83.10.Rs Computer simulation of molecular and particle dynamics - 81.07.Nb Molecular nanostructures - 81.07.Pr Organic-inorganic hybrid nanostructures     

Search for the formation of new particles in pp reactions near 3 GeV

Using the multiparticle spectrometer facility (MPS) at BNL, we have set upper limits on the formation of a meson state in the mass range 2.99–3.14 GeV from proton-anti-proton annihilations. The upper limits are, in terms of the cross section integrated over the width, 18 MeV · μb for the final state $\text{γ}\text{γ}\text{, 18}\text{MeV}\text{·}\text{for K}{}^0\text{K}{}^{01}\text{(890) +}\text{c.c.}$, and 2 MeV · μb for K_SK_L.