On the absolute configuration of 1-cyclopropylethan-1-amine

We observed a discrepancy between the reported specific rotation for the enantiomers of 1-cyclopropylethan-1-amine and the values for commercial material. Analyses by VCD of the free amine, by NMR analysis of the derived (S)-O-methylmandelamides and an X-ray crystal structure of one of the mandelamides defined the specific rotation for each enantiomer.     

Modified Schwarz–Christoffel mappings using approximate curve factors

The Schwarz–Christoffel mapping from the upper half-plane to a polygonal region in the complex plane is an integral of a product with several factors, where each factor corresponds to a certain vertex in the polygon. Different modifications of the Schwarz–Christoffel mapping in which factors are replaced with the so-called curve factors to achieve polygons with rounded corners are known since long times. Among other requisites, the arguments of a curve factor and its correspondent scl factor must be equal outside some closed interval on the real axis.In this paper, the term approximate curve factor is defined such that many of the already known curve factors are included as special cases. Additionally, by alleviating the requisite on the argument from exact to asymptotic equality, new types of curve factors are introduced. While traditional curve factors have a C¹ regularity, C^∞ regular approximate curve factors can be constructed, resulting in smooth boundary curves when used in conformal mappings.Applications include modelling of wave scattering in waveguides. When using approximate curve factors in modified Schwarz–Christoffel mappings, numerical conformal mappings can be constructed that preserve two important properties in the waveguides. First, the direction of the boundary curve can be well controlled, especially towards infinity, where the application requires two straight parallel walls. Second, a smooth (C^∞) boundary curve can be achieved.     

Ordering arc-reversal operations when eliminating variables in lazy AR propagation

This paper considers the problem of ordering arc-reversal operations and breaking ties in cost measures when eliminating variables in Lazy AR Propagation (LPAR). In particular, the paper presents the BreakTies algorithm for breaking ties in cost measures when selecting the next arc to reverse in a variable elimination operation. BreakTies is based upon using a sequence of cost measures instead of randomly selecting an arc to reverse when multiple arcs share the same cost. The paper reports on an experimental evaluation of LPAR for belief update in Bayesian networks considering six sequences of five cost measures for breaking ties using BreakTies. The experimental results show that using BreakTies to select the next arc to reverse in a variable elimination operation can improve performance of LPAR.     

Aripiprazole?Montmorillonite: A New Organic–Inorganic Nanohybrid Material for Biomedical Applications

Poor aqueous solubility and the unpleasant taste of aripiprazole (APZ) have been recurring problems, owing to its low bioavailability and low patient tolerance, respectively. Herein, we prepared a nanohybrid system that was based on a bentonite clay material, montmorillonite (MMT), which could both mask the taste and enhance the solubility of APZ (i.e., APZ‐MMT). To further improve the efficacy of this taste masking and drug solubility, APZ‐MMT was also coated with a cationic polymer, polyvinylacetal diethylamino acetate (AEA). In vitro dissolution tests at neutral pH showed that the amount of drug that was released from the AEA‐coated APZ‐MMT was greatly suppressed (<1 %) for the first 3 min, thus suggesting that AEA‐coated APZ‐MMT has strong potential for the taste masking of APZ. Notably, in simulated gastric juice at pH 1.2, the total percentage of APZ that was released within the first 2 h increased up to 95 % for AEA‐coated APZ‐MMT. Furthermore, this in vitro release profile was also similar to that of Abilify®, a commercially available medication. In vivo experiments by using Sprague–Dawley rats were also performed to compare the pharmacokinetics of AEA‐coated APZ‐MMT and Abilify®. AEA‐coated APZ‐MMT exhibited about 20 % higher systemic exposure of APZ and its metabolite, dehydro‐APZ, compared with Abilify®. Therefore, a new MMT‐based nanovehicle, which is coated with a cationic polymer, can act as a promising delivery system for both taste masking and for enhancing the bioavailability of APZ.     

Integrated pulsed amperometry for the analysis of organic compounds

Integrated pulsed amperometric detection (IPAD) was applied for the detection of organic compounds for flow injection analysis. The pulse waveform used in the integrated pulsed amperometry consisted of three steps: detection potential, oxidation potential, and adsorption potential. The pulse waveform was applied to the working electrode as the analyte flowed through the electrochemical cell. Unlike ordinary pulsed amperometry, a faradaic current was integrated over the duration period of the detection potential in the IPAD. Therefore, the total charge was measured by integrating the current after the detection potential was applied. The current for the initial 10 ms, after applying the detection potential, was excluded from the integration due to a large charging current at the initial period. Compared with pulsed amperometry, integrated pulsed amperometry provides a better signal-to-noise ratio and a lower detection limit. This method was applied to the quantitative analysis of thiourea as a representative analyte of organosulfur compounds in a flow injection analysis.