Evaluation of the LTQ-Orbitrap mass spectrometer for the analysis of polymerase chain reaction products

We have investigated the potential and robustness of the off‐line coupling of polymerase chain reaction (PCR) with electrospray ionization mass spectrometry (ESI‐MS), for further applications in the screening of single‐nucleotide polymorphisms (SNPs). This was based on recently reported data demonstrating that anion‐exchange solid‐phase extraction was the most efficient technique for efficiently desalting PCR products, with a recovery of ～70%. Results showed that this purification approach efficiently removes almost all the chemicals commonly added to PCR buffers. ESI‐MS analysis of a model 114‐bp PCR product performed on the LTQ‐Orbitrap instrument demonstrated that detection limits in the nM range along with an average mass measurement uncertainty of 9.15 ± 7.11 ppm can be routinely obtained using an external calibration. The PCR/ESI‐MS platform was able to detect just a few copies of a targeted oligonucleotide. However, it was shown that if two PCR products are present in a mixture in a ratio higher than 10 to 1, the lower abundance one might not be reproducibly detected. Applications to SNPs demonstrated that an LTQ‐Orbitrap with a resolution of 30 000 (at m/z 400) easily identified a single (A ? G) switch, i.e. a 16 Da difference, in binary mixtures of ～ 35 kDa PCR products. Complementary experiments also showed that the combination of endonucleases and ESI‐MS could be used to confirm base composition and sequence, and thus to screen for unknown polymorphisms in specific sequences. For example, a single (T ? A) switch (9 Da mass difference) was successfully identified in a 114‐bp PCR product. Copyright © 2010 John Wiley & Sons, Ltd.     

Convex hull: A new method to determine the separation space used and to optimize operating conditions for comprehensive two-dimensional gas chromatography

It is important to develop methods of optimizing the selection of column sets and operating conditions for comprehensive two-dimensional gas chromatography. A new method for the calculation of the percentage of separation space used was developed using Delaunay's triangulation algorithms (convex hull). This approach was compared with an existing method and showed better precision and accuracy. It was successfully applied to the selection of the most convenient column set and the geometrical parameters of second column for the analysis of 49 target compounds in wastewater.     

Solution of the Schrödinger equation for two <Emphasis Type="Italic">q</Emphasis>-deformed potentials by the SWKB method

In this study, the supersymmetric Wentzel-Kramers-Brillouin (SWKB) approximation method has been discussed in detail. The entire bound state energy eigenvalues and the ground state wave function of the q-deformed potentials such as Pöschl-Teller and Rosen-Morse potentials have been obtained by SWKB approximation. We have shown that our results are in complete agreement with the results obtained by E?rifes et al. (Physica Scripta 59:90–94, 1999; Physica Scripta 60:195–198, 1999).     

A Note on Well-posed Problems

A recent result by Ricceri [Ri] states that a ${C^{1,1}_{loc}}$ function ${f : X \to {\mathbb R}}$ , where X is a Hilbert space, attains its minimum on any small closed ball around a point where its derivative does not vanish, and that the unique minimum point belongs to the boundary of the ball. The proof is based on a saddle-point theorem. We show that the result, which we extend to Banach spaces having a norm with modulus of convexity of power type 2, can be obtained by means of a purely variational argument.     

Failure of the Ingard-Myers boundary condition for a lined duct: an experimental investigation

This paper deals with experimental investigation of the lined wall boundary condition in flow duct applications such as aircraft engine systems or automobile mufflers. A first experiment, based on a microphone array located in the liner test section, is carried out in order to extract the axial wavenumbers with the help of an "high-accurate" singular value decomposition Prony-like algorithm. The experimental axial wavenumbers are then used to provide the lined wall impedance for both downstream and upstream acoustic propagation by means of a straightforward impedance education method involving the classical Ingard-Myers boundary condition. The results show that the Ingard-Myers boundary condition fails to predict with accuracy the acoustic behavior in a lined duct with flow. An effective lined wall impedance, valid whatever the direction of acoustic propagation, can be suitably found from experimental axial wavenumbers and a modified version of the Ingard-Myers condition with the form inspired from a previous theoretical study [Aure?gan et al., J. Acoust. Soc. Am. 109, 59-64 (2001)]. In a second experiment, the scattering matrix of the liner test section is measured and is then compared to the predicted scattering matrix using the multimodal approach and the lined wall impedances previously deduced. A large discrepancy is observed between the measured and the predicted scattering coefficients that confirms the poor accuracy provided from the Ingard-Myers boundary condition widely used in lined duct applications.     

A Generalized Grothendieck Inequality and Nonlocal Correlations that Require High Entanglement

Suppose that Alice and Bob make local two-outcome measurements on a shared entangled quantum state. We show that, for all positive integers d, there exist correlations that can only be reproduced if the local Hilbert-space dimension is at least d. This establishes that the amount of entanglement required to maximally violate a Bell inequality must depend on the number of measurement settings, not just the number of measurement outcomes. We prove this result by establishing a lower bound on a new generalization of Grothendieck’s constant.     

Numerical modeling of transient two-dimensional viscoelastic waves

This paper deals with the numerical modeling of transient mechanical waves in linear viscoelastic solids. Dissipation mechanisms are described using the generalized Zener model. No time convolutions are required thanks to the introduction of memory variables that satisfy local-in-time differential equations. By appropriately choosing the relaxation parameters, it is possible to accurately describe a large range of materials, such as solids with constant quality factors. The evolution equations satisfied by the velocity, the stress, and the memory variables are written in the form of a first-order system of PDEs with a source term. This system is solved by splitting it into two parts: the propagative part is discretized explicitly, using a fourth-order ADER scheme on a Cartesian grid, and the diffusive part is then solved exactly. Jump conditions along the interfaces are discretized by applying an immersed interface method. Numerical experiments of wave propagation in viscoelastic and fluid media show the efficiency of this numerical modeling for dealing with challenging problems, such as multiple scattering configurations.     

Nanosecond dynamics of ferroelectric/dielectric superlattices

The nanosecond response of a PbTiO(3)/SrTiO(3) ferroelectric/dielectric superlattice to applied electric fields is closely linked to the dynamics of striped domains of the remnant polarization. The intensity of domain satellite reflections observed with time-resolved x-ray microdiffraction decays in 5-100 ns depending on the magnitude of the electric field. The piezoelectric response of the superlattice within stripe domains is strongly suppressed due to electromechanical clamping between adjacent regions of opposite polarization. Regions of the superlattice that have been switched into a uniform polarization state by the applied electric field, however, exhibit piezoelectricity during the course of the switching process. We propose a switching model different from previous models of the switching of superlattices, based instead on a spatially heterogeneous transformation between striped and uniform polarization states.