Highly Selective Cyclotrimerization of Lithocholic Acid by DCC/DMAP Reagent

Synthesis of cyclolithocholates by using dicyclohexylcarboimide (DCC) and 4-dimethylaminopyridine (DMAP) is described. Cyclotrimerization is the principal reaction route for lithocholic acid system. These reaction conditions were less successful in the cyclization of 12-oxolithocholic acid

Highly Selective Cyclotrimerization of Lithocholic Acid by DCC/DMAP Reagent

Synthesis of cyclolithocholates by using dicyclohexylcarboimide (DCC) and 4-dimethylaminopyridine (DMAP) is described. Cyclotrimerization is the principal reaction route for lithocholic acid system. These reaction conditions were less successful in the cyclization of 12-oxolithocholic acid

After-Tax Asset Allocation

This paper discusses after-tax asset allocation for individual investors, investigates mean-variance optimization models, and applies asset location under the after-tax framework. We demonstrate how the traditional allocation approaches fail to take tax properly into consideration. Based on Reichenstein’s early after-tax asset allocation researches, we improve the adjustment for risks of portfolio, especially for fixed income, by choosing appropriate tax rate. Also we test Reichenstein’s and the adjusted models by changing parameters and inputs to evaluate the new model. We illustrate how taxes and saving vehicles affect mean variance optimization and conclude the individual investors should locate bonds in tax-deferred accounts and stocks in taxable accounts

Theoretical Treatment of Electron-Impact Ionization of Molecules

There is currently no reliable theory for calculating the fully differential cross section (FDCS) for low energy electron-impact ionization of molecules. All of the existing experimental FDCS data represent averages over all molecular orientations and this can be an important theoretical complication for calculations that are computer intensive. We have found that using an averaged molecular orbital is an accurate approximation for ionization of ground states. In this paper, we will describe the approximation, discuss its expected range of validity and show some FDCS results using the approximation for ionization of H2 and N

An Elementary Method for Calculating Orientation-Averaged Fully Differential Electron-Impact Ionization Cross Sections for Molecules

Currently there are no reliable theoretical approaches for calculating fully differential cross sections (FDCS) for low-energy electron-impact ionization of large molecules. We have recently introduced the distorted-wave impulse approximation as a first step in developing improved theoretical approaches. One significant obstacle to evaluating improved theoretical approaches which require significant computer resources lies in the fact that the existing experimental data require taking averages over all molecular orientations. To circumvent this problem, it has been proposed to approximate the orientation-average by using an orientation-averaged molecular orbital in the calculation of the FDCS. The theoretical justification and expected range of validity for the approximation is given in this paper. Examples are presented for electron-impact ionization of H2 and N2

Fully Differential Cross Sections for Low-Energy Electron-Impact Ionization of Nitrogen Molecules

Currently there is no accurate theoretical approach available for treating fully differential cross sections (FDCS) for low-energy electron-impact ionization of large molecules. For high incident energies, the plane wave impulse approximation (PWIA) generally yields good agreement with experimental data. In this paper, the distorted wave impulse approximation (DWIA) is used to calculate FDCS for low-energy electron-impact ionization of N2. To perform the necessary average over all molecular orientations, we propose an orientation average (OA) approximation. Although the DWIA results represent an improvement over the PWIA for intermediate energies, an improved theory is necessary for lower energies. However, the OA approximation will greatly simplify the evaluation of improved theories for lower energies

Distorted Wave Born and Three-Body Distorted Wave Born Approximation Calculations of the Fully Differential Cross Section for Electron-Impact Ionization of Nitrogen Molecules

Currently there are no reliable theoretical approaches for calculating fully differential cross sections (FDCSs) for low-energy electron-impact ionization of large molecules. We have recently proposed the orientation-averaged molecular orbital (OAMO) for calculating cross sections averaged over molecular orientations. In this paper, we use the OAMO to calculate distorted wave Born approximation (DWBA) and molecular three-body distorted wave (M3DW) Born approximation FDCS for electron-impact ionization of the nitrogen molecule. Both coplanar symmetric and asymmetric FDCSs are investigated in the energy range of 35.6-400 eV. by comparing with the experimental data, we found that the M3DW is reasonably accurate in this energy range. We also found that the postcollision interaction plays a sufficiently important role and that the DWBA is not reliable

Interference Effects for Low-Energy Electron-Impact Ionization of Nitrogen Molecules

Young\u27s double slit interference effects for low incident energy 75.6 eV electron impact ionization of N2 are investigated using the distorted-wave impulse approximation (DWIA) for both coplanar symmetric and asymmetric scattering. Although the DWIA does not predict observable interference effects for the coplanar symmetric case, it predicts some strong Young\u27s double-slit-type interference effects for the highly asymmetric scattering case. These effects are strong enough that they should be experimentally observable if one can make measurements in the backscattering region

Open Innovation Web-Based Platform for Evaluation of Water Quality Based on Big Data Analysis

There are many models presented that assess water quality. However, the applications of the models are limited due to the difficulty of preparing input data and interpreting model output. In this paper, we developed a Web-based platform to assist researchers in analyzing water quality. The data from sensors can be automatically imported to the platform according to the configured information of data structures. The platform also provides conventional methods and big data methods for the users to analyze water quality. Moreover, the users can choose the water quality parameters according to the water usage. The presented platform can show the model output in a text format and a graphic format, which allows for the analysis to be better understood by the user. The platform integrates the input, analysis, and output together well and brings great convenience to the research on water quality