Practical and Scalable Synthesis of Ethyl (R)-Piperidine-3-acetate

A practical and scalable synthesis of ethyl (R)-piperidine-3-acetate was achieved from commercially available 3-pyridylacetic acid in 76% overall yield. The practical synthesis was demonstrated on 100-g scale. One-pot reductive N-ethylation of the pyridinium salt with acetonitrile gave an N-ethyl piperidine derivative.     

On actions of Drinfel'd doubles on finite dimensional algebras

Let q be an nth root of unity for $n>2$ and let $T_n(q)$ be the Taft (Hopf) algebra of dimension $n^2$. In 2001, Susan Montgomery and Hans-Jürgen Schneider classified all non-trivial $T_n(q)$-module algebra structures on an n-dimensional associative algebra A. They further showed that each such module structure extends uniquely to make A a module algebra over the Drinfel'd double of $T_n(q)$. We explore what it is about the Taft algebras that leads to this uniqueness, by examining actions of (the Drinfel'd double of) Hopf algebras H “close” to the Taft algebras on finite-dimensional algebras analogous to A above. Such Hopf algebras H include the Sweedler (Hopf) algebra of dimension 4, bosonizations of quantum linear spaces, and the Frobenius–Lusztig kernel $u_q({\mathfrak{sl}}_2)$.     

On nonlinear boundary value problem corresponding to N-dimensional inverse spectral problem

We establish a relationship between an inverse optimization spectral problem for the N-dimensional Schrödinger equation $?\mathrm{\Delta }?+q(x)?=\lambda ?$ and a solution of the nonlinear boundary value problem $?\mathrm{\Delta }u+q(x)u=\lambda u?u^{\gamma ?1},u>0,u{|}_{?\mathrm{\Omega }}=0$. Using this relationship, we find an exact solution for the inverse optimization spectral problem, investigate its stability and obtain new results on the existence and uniqueness of the solution for the nonlinear boundary value problem.     

Free boundary problem for a fully nonlinear and degenerate parabolic equation in an angular domain

This paper concerns with the problem of how to running an insurance company to maximize his total discounted expected dividends. In our model, the dividend rate is limited in $[0,M]$ and the company is allowed to transfer any proportion of risk by reinsuring. So there are two strategies which we call dividend strategy and reinsurance strategy. The objective function and the corresponding optimal two strategies are the solution and the two free boundaries of the following Barenblatt parabolic equation

$v_t?\underset{0\le a\le 1}{\max }?(\frac{1}{2}{a}^2{\sigma }^2{v}_{xx}+a\mu v_x)+cv?\underset{0\le l\le M}{\max }?[(1?v_x)l]=0$

under certain boundary conditions on an angular domain

$Q_T=\{(x,t)|0<x<Mt,0<t\le T\}.$

The main effort is to analyze the properties of the solution and the free boundaries to show the optimal decision for the insurance company.     

Stereoselective analysis of flecainide enantiomers using reversed‐phase liquid chromatography for assessing CYP2D6 activity

Stereoselective analyses of flecainide enantiomers were performed using reversed‐phase high‐performance liquid chromatography (HPLC) equipped with a polysaccharide‐based chiral column (Chiralpak AS‐RH) and fluorescence detector. Excitation and emission wavelengths were set at 300 and 370 nm, respectively. Flecainide enantiomers in serum and urine were extracted using diethyl ether. The mobile phase solution, comprising 0.1 m potassium hexafluorophosphate and acetonitrile (65:35, v/v), was pumped at a flow rate of 0.5 mL/min. The recoveries of flecainide enantiomers were greater than 94%, with the coefficients of variation (CVs) <6%. The calibration curves of flecainide enantiomers in serum and urine were linear in the concentration range 5–500 ng/mL and 0.75–15 µg/mL (r > 0.999), respectively. CVs in intra‐day and inter‐day assays were 1.8–5.8 and 3.4–7.5%, respectively. In a pharmacokinetic study, the ratios of (S)‐ to (R)‐flecainide (S/R ratio) in the area under the curve and the amount of flecainide enantiomers excreted in urine were lower in a subject carrying CYP2D6*10/*10 than in subjects carrying CYP2D6*1/*2. The S/R ratio of trough serum flecainide concentration ranged from 0.79 to 1.16 in patients receiving oral flecainide. The present HPLC method can be used to assess hepatic flecainide metabolism in a pharmacokinetic study and therapeutic drug monitoring. Copyright © 2014 John Wiley & Sons, Ltd.     

Theoretical investigation into coordination and selectivity of uranyl-unilateral benzotriazole salophens (X = O/S) for R/S-triadimefons

The design of new uranyl-ligands (uranyl-Ls) is of great significance for the separation and utilization of uranium. In this paper, the triazole group was introduced into uranyl-salophen (uranyl-S) to form new asymmetric uranyl-unilateral benzotriazole salophen (uranyl-UBS); we further replaced two oxygen atoms of uranyl-UBS with two sulfur atoms to generate uranyl-unilateral benzotriazole thio-salophen (uranyl-UBTS) as a new receptor. Then, we comprehensively explored coordination models of uranyl-UBS and uranyl-UBTS with R/S-triadimefons (R/S-TDFs) enantiomers as the guests using density functional theory calculations at the B3LYP//RECP/6-311G** level; we then investigated enantioselectivity recognition of the new receptors to the guests R/S-TDFs. The results indicated that the uranium atoms of the receptors uranyl-S, uranyl-UBS and uranyl-UBTS could coordinate with the carbonyl oxygens in guests R/S-TDFs to form complexes of guest-receptors R/S-TDFs-uranyl-Ls that exhibited two stable V-shaped structures with quite different properties. It was found that the coordination ability to the guests R/S-TDFs is uranyl-UBTS > uranyl-UBS > uranyl-S, while the enantioselectivity for the guests is uranyl-UBTS > uranyl-S > uranyl-UBS and, when the receptor is the same, R-TDF has stronger coordination ability than S-TDF. These results provide information and theoretical supports for the experiments of asymmetric uranyl-UBS with R/S-TDFs, and produce a reference for further exploring the coordination characteristics of asymmetric uranyl-salophen with the triazole derivatives.     

BAMLSS: Bayesian Additive Models for Location,Scale, and Shape (and Beyond)

Bayesian analysis provides a convenient setting for the estimation of complex generalized additive regression models (GAMs). Since computational power has tremendously increased in the past decade, it is now possible to tackle complicated inferential problems, for example, with Markov chain Monte Carlo simulation, on virtually any modern computer. This is one of the reasons why Bayesian methods have become increasingly popular, leading to a number of highly specialized and optimized estimation engines and with attention shifting from conditional mean models to probabilistic distributional models capturing location, scale, shape (and other aspects) of the response distribution. To embed many different approaches suggested in literature and software, a unified modeling architecture for distributional GAMs is established that exploits distributions, estimation techniques (posterior mode or posterior mean), and model terms (fixed, random, smooth, spatial,…). It is shown that within this framework implementing algorithms for complex regression problems, as well as the integration of already existing software, is relatively straightforward. The usefulness is emphasized with two complex and computationally demanding application case studies: a large daily precipitation climatology, as well as a Cox model for continuous time with space-time interactions. Supplementary material for this article is available online.