Study of measuring methods on spatial resolution of a GEM imaging detector

In this paper, the limitations of the common method measuring intrinsic spatial resolution of the GEM imaging detector are presented. Through theoretical analysis and experimental verification, we have improved the common method to avoid these limitations. Using these improved methods, a more precise measurement of intrinsic spatial resolutions are obtained.     

Desulfurization of phosphorothioate oligonucleotides via the sulfur‐by‐oxygen replacement induced by the hydroxyl radical during negative electrospray ionization mass spectrometry

While the occurrence of desulfurization of phosphorothioate oligonucleotides in solution is well established, this study represents the first attempt to investigate the basis of the unexpected desulfurization via the net sulfur‐by‐oxygen (S‐O) replacement during negative electrospray ionization (ESI). The current work, facilitated by quantitative mass deconvolution, demonstrates that considerable desulfurization can take place even under common negative ESI operating conditions. The extent of desulfurization is dependent on the molar phosphorothioate oligonucleotide‐to‐hydroxyl radical ratio, which is consistent with the corona discharge‐induced origin of the hydroxyl radical leading to the S‐O replacement. This hypothesis is supported by the fact that an increase of the high‐performance liquid chromatography (HPLC) flow rate and the on‐column concentration of a phosphorothioate oligonucleotide, as well as a decrease of the electrospray voltage reduce the degree of desulfurization. Comparative LC‐tandem mass spectrometry (MS/MS) sequencing of a phosphorothioate oligonucleotide and its corresponding desulfurization product revealed evidence that the S‐O replacement occurs at multiple phosphorothioate internucleotide linkage sites. In practice, the most convenient and effective strategy for minimizing this P = O artifact is to increase the LC flow rate and the on‐column concentration of phosphorothioate oligonucleotides. Another approach to mitigate possible detrimental effects of the undesired desulfurization is to operate the ESI source at a very low electrospray voltage to diminish the corona discharge; however this will significantly compromise sensitivity when analyzing the low‐level P = O impurities in phosphorothioate oligonucleotides. Copyright © 2012 John Wiley & Sons, Ltd.     

镁铁水滑石的制备及其对小球藻油脂合成生物柴油的催化性能

用改良尿素法制备了镁铁水滑石(MgFe-LDH),对其在小球藻油脂合成生物柴油反应中的催化性能进行了研究。利用XRD、FT-IR、SEM及FT-IR拟合、去卷积分析等技术对所制备的MgFe-LDH进行了表征,考察了pH值、Mg/Fe摩尔比、反应温度和时间对其结构和性能的影响。结果表明,Mg/Fe摩尔比为3或4、pH值为9.5,在110 ℃条件下反应10 h,所制备的MgFe-LDH(Mg3Fe或Mg4Fe)结晶度最高,粒径均匀,结构规整。与Mg/Fe摩尔比为2的MgFe-LDH(Mg2Fe)相比,Mg3Fe或Mg4Fe在完全分解焙烧时,其层板结构保持稳定,具有较高的晶体结晶度、较多的催化活性位和较高的催化活性。以Mg3Fe金属氧化物为催化剂,在醇/油摩尔比为6时反应1.5 h,生物柴油产率可达87％;该催化剂循环使用3次,仍具一定催化活性。     

Temporal large-eddy simulation: theory and implementation

Large-eddy simulation (LES) has relied almost exclusively on spatial filtering to separate resolved and unresolved scales. For many reasons, temporal filtering may be more natural, particularly for flows of engineering interest. The paper develops the theory of temporal LES (TLES) and provides a demonstration of the concept by simulations of viscous Burger’s flow and incompressible plane-channel flow. The latter is accomplished by adapting the approximate deconvolution model (ADM) of Stolz and Adams (Phys. Fluids 11:1699, 1999) to causal, time-domain filtering. The temporal variant of the ADM is termed the TADM.      

Deconvolution Method for Determination of the Nitrogen Content in Cellulose Carbamates

Cellulose carbamate (CC) is a derivative of cellulose. It can be turned into synthetic fiber in high quality with the existing viscose facilities1. CC was first reported by Hill and Jacobsen2. Since the 80's, numerous papers and patents about study on CC have been reported3-9. The studies on the synthesis of CC and the manufactures of fibers prevailed in these reports. But there were quite few reports about the characterization and the properties of CC10. Elemental analysis and FTIR mea…     

Using the Transfer Function of an Isoperibolic Reaction Calorimeter for Thermo-kinetic Analysis

It is an aim of the present work to determine the chemical heat flow rate of a reaction without explicitly solving the heat balance equations. Therefore, it is necessary to calculate the heat flow rate directly from the temperature course of an experimentally determined reaction. For this transformation the transfer function of the calorimeter is needed 1 . An isoperibol reaction calorimeter was used for the experiments. With different calibrations and gained transfer functions, it is shown that the chemical heat flow rate can be determined from the temperature course of a reaction. The evaluation is fast and easy to use, which improves automation and prevents possible input errors.     

Optimization of thin film solid phase microextraction and data deconvolution methods for accurate characterization of organic compounds in produced water

The continued rise in the extraction of unconventional oil and gas across the globe poses many questions about how to manage these relatively new waste‐streams. Produced water, the primary waste by‐product, contains a diverse number of anthropogenic additives together with the numerous hydrocarbons extracted from the well. Due to potential environmental hazards, it is critical to characterize the chemical composition of this type of waste before proper disposal or remediation/reuse. In this work, a thin film solid phase microextraction approach was developed and optimized to characterize produced water. The thin film device consisted of hydrophilic‐lipophilic balance particles embedded in polydimethylsiloxane and immobilized on a carbon mesh surface. These devices were chosen to provide broad extraction coverage and high reusability. Various parameters were evaluated to ensure reproducible results while minimizing analyte loss. This optimized protocol, consisting of a 15 min extraction followed by a short (3 s) rinsing step, enabled the reproducible analysis of produced water without any sample pretreatment. Extraction efficiency was suitable for both produced water additives and hydrocarbons. The developed approach was able to tentatively identify a total of 201 compounds from produced water samples, by using one‐dimensional gas chromatography hyphenated to mass spectrometry and data deconvolution.     

Bootstrap bandwidth selection in kernel density estimation from a contaminated sample

In this paper we consider kernel estimation of a density when the data are contaminated by random noise. More specifically we deal with the problem of how to choose the bandwidth parameter in practice. A theoretical optimal bandwidth is defined as the minimizer of the mean integrated squared error. We propose a bootstrap procedure to estimate this optimal bandwidth, and show its consistency. These results remain valid for the case of no measurement error, and hence also summarize part of the theory of bootstrap bandwidth selection in ordinary kernel density estimation. The finite sample performance of the proposed bootstrap selection procedure is demonstrated with a simulation study. An application to a real data example illustrates the use of the method. This research was supported by ‘Projet d’Actions de Recherche Concertées’ (No. 98/03-217) from the Belgian government. Financial support from the IAP research network nr P5/24 of the Belgian State (Federal Office for Scientific, Technical and Cultural Affairs) is also gratefully acknowledged.     

A deconvolution‐based fourth‐order finite volume method for incompressible flows on non‐uniform grids

This paper is concerned with the development of a new high‐order finite volume method for the numerical simulation of highly convective unsteady incompressible flows on non‐uniform grids. Specifically, both a high‐order fluxes integration and the implicit deconvolution of the volume‐averaged field are considered. This way, the numerical solution effectively stands for a fourth‐order approximation of the point‐wise one. Moreover, the procedure is developed in the framework of a projection method for the pressure–velocity decoupling, while originally deriving proper high‐order intermediate boundary conditions. The entire numerical procedure is discussed in detail, giving particular attention to the consistent discretization of the deconvolution operation. The present method is also cast in the framework of approximate deconvolution modelling for large‐eddy simulation. The overall high accuracy of the method, both in time and space, is demonstrated. Finally, as a model of real flow computation, a two‐dimensional time‐evolving mixing layer is simulated, with and without sub‐grid scales modelling. Copyright © 2003 John Wiley & Sons, Ltd.     

Analysis of the probability distribution method for spectrum decomposition

The probability distribution method provides a new way for spectrum deconvolution, that is especially applicable in the case of poor counting statistics. Here it has been compared with the conventional least-squares curve-fitting method. A large number of spectrum regions of a few channels were generated to simulate a spectrum containing a low intensity peak on low background, and were evaluated by both methods, to establish which method provides an unbiased estimate of the peak area in the cases examined, and on what conditions.