Electron density of states at the edge of the valence band of Cd0.88Fe0.12Se—A photoemission yield study

The electronic structures of Cd_0.88Fe_0.12Se and CdSe have been investigated by photoemission yield spectroscopy (PYS) in the photon energy range from 5 to 12 eV. The () surfaces were obtained by cleavage under ultrahigh vacuum (UHV) conditions. An Fe-related emission appeared at 0.58 eV above the valence band edge. The freshly cleaved surface of Cd_0.88Fe_0.12Se interacted with ambient atmosphere more strongly than CdSe crystal. Leaving the sample in an UHV chamber at room temperature enabled us to identify surface related features and to observe decrease of the ionization energy E_i, energy threshold E_d and the crystal affinity χ due to change of the surface conditions. Effective density of states, derived from the experimental spectra of Cd_0.88Fe_0.12Se exhibits, in contrast with CdSe, a surface-related feature degenerated with the bulk valence band.     

Synthesizing Strained Azatriseptane Frameworks

Embedding seven-membered rings into polycyclic aromatic molecules is attractive as they can exert an influence on molecular conformation that ultimately changes the solubility and π-electronics. The considerations in designing and synthesizing a highly strained azatriseptane framework are discussed herein. We employ a twofold macrocyclization strategy to form the [7,7,7]-system and through scoping various strategies identify that the Friedel–Crafts approach is the key. In addition to the successes presented here, the synthetic limitations we have identified highlight the key challenges in forming triseptane frameworks and pave the way for second-generation analogues that may have various applications in optical and electronic organic materials.     

A Convenient Approach to Simultaneous Analysis of a Pharmaceutical Drug and Its Counter-Ion by CE Using Dual-Opposite End Injection and Contactless Conductivity Detection

Capillary electrophoresis (CE) coupled to a capacitively coupled contactless conductivity detector (C⁴D) was used for the determination in a single analysis of a pharmaceutical drug and its counter-ion. Dual-opposite end injection (DOI) was used to introduce hydrodynamically the analytes at each end of the capillary. No modification of the commercial apparatus is required. After applying the voltage, the cations and anions migrate from each end of the capillary in opposite directions toward the detector placed near the cathode outlet. The electrophoretic conditions were initially developed with three test drugs (chlorpheniramine maleate, metoprolol tartrate, clomiphene citrate) and then applied to two Vinca alkaloids (catharanthine sulfate, vinorelbine ditartrate). The 10 mM histidine–50 mM acetic acid buffer (pH 4.1)–methanol 90:10 (v/v) electrolyte was suitable for the analysis of these high or medium mobile anions by CE–C⁴D due to its low conductivity background and high buffer capacity. Finally, the CE procedure developed was successfully validated for catharanthine sulfate. The method developed herein is fast (<10 min) and accurate (repeatability on migration time < 0.6% and peak areas < 1.3%, n = 6).

     

Mesoporous γ‐Iron Oxide Nanoparticles for Magnetically Triggered Release of Doxorubicin and Hyperthermia Treatment

Mesoporous iron‐oxide nanoparticles (mNPs) were prepared by using a modified nanocasting approach with mesoporous carbon as a hard template. mNPs were first loaded with doxorubicin (Dox), an anticancer drug, and then coated with the thermosensitive polymer Pluronic F108 to prevent the leakage of Dox molecules from the pores that would otherwise occur under physiological conditions. The Dox‐loaded, Pluronic F108‐coated system (Dox@F108‐mNPs) was stable at room temperature and physiological pH and released its Dox cargo slowly under acidic conditions or in a sudden burst with magnetic heating. No significant toxicity was observed in vitro when Dox@F108‐mNPs were incubated with noncancerous cells, a result consistent with the minimal internalization of the particles that occurs with normal cells. On the other hand, the drug‐loaded particles significantly reduced the viability of cervical cancer cells (HeLa, IC₅₀=0.70 μm ), wild‐type ovarian cancer cells (A2780, IC₅₀=0.50 μm ) and Dox‐resistant ovarian cancer cells (A2780/AD, IC₅₀=0.53 μm ). In addition, the treatment of HeLa cells with both Dox@F108‐mNPs and subsequent alternating magnetic‐field‐induced hyperthermia was significantly more effective at reducing cell viability than either Dox or Dox@F108‐mNP treatment alone. Thus, Dox@F108‐mNPs constitute a novel soft/hard hybrid nanocarrier system that is highly stable under physiological conditions, temperature‐responsive, and has chemo‐ and thermotherapeutic modes of action.     

Network deployment of radiation detectors with?physics-based detection probability calculations

We describe a model for deploying radiation detectors on a transportation network consisting of two adversaries: a nuclear-material smuggler and an interdictor. The interdictor first installs the detectors. These installations are transparent to the smuggler, and are made under an uncertain threat scenario, which specifies the smuggler??s origin and destination, the nature of the material being smuggled, the manner in which it is shielded, and the mechanism by which the smuggler selects a route. The interdictor??s goal is to minimize the probability the smuggler evades detection. The performance of the detection equipment depends on the material being sensed, geometric attenuation, shielding, cargo and container type, background, time allotted for sensing and a number of other factors. Using a stochastic radiation transport code (MCNPX), we estimate detection probabilities for a specific set of such parameters, and inform the interdiction model with these estimates.     

New development in in-capillary electrophoresis techniques for kinetic and inhibition study of enzymes

Enzymes are often quantified by measuring their biological activity. Capillary electrophoresis is gaining its position in this field due to the ongoing trend to miniaturize biochemical assays.     

Isospin breaking in low-energy charged pion–kaon elastic scattering

We use chiral perturbation theory to evaluate the scattering amplitude for the process at leading and next-to-leading orders in the chiral counting and in the presence of isospin breaking effects. We also discuss the influence of the latter on the combination of the -wave scattering lengths which is relevant for the 2S–2P energy level shift of atoms. Received: 19 November 2001 / Revised version: 21 December 2001 / Published online: 5 April 2002     

An iterated-tabu-search heuristic for a variant of the partial set covering problem

In this paper, we propose a heuristic algorithm to solve a new variant of the partial set covering problem. In this variant, each element $e_i$ has a gain $g_i$ (i.e., a positive profit), each set $s_j$ has a cost $c_j$ (i.e., a negative profit), and each set $s_j$ is part of a unique group $G_k$ that has a fixed cost $f_k$ (i.e., a negative profit). The objective is to maximize profit and it is not necessary to cover all of the elements. We present an industrial application of the model and propose a hybrid heuristic algorithm to solve it; the proposed algorithm is an iterated-local-search algorithm that uses two levels of perturbations and a tabu-search heuristic. Whereas the first level of perturbation diversifies the search around the current local optimum, the second level of perturbation performs long jumps in the search space to help escape from local optima with large basins of attraction. The proposed algorithm is evaluated on thirty real-world problems and compared to a memetic algorithm. Computational results show that most of the solutions found by ITS are either optimal or very close to optimality.