Improved ion optics for introduction of ions into a 9.4‐T Fourier transform ion cyclotron resonance mass spectrometer

Enhancements to the ion source and transfer optics of our 9.4 T Fourier transform ion cyclotron resonance (ICR) mass spectrometer have resulted in improved ion transmission efficiency for more sensitive mass measurement of complex mixtures at the MS and MS/MS levels. The tube lens/skimmer has been replaced by a dual ion funnel and the following octopole by a quadrupole for reduced ion cloud radial expansion before transmission into a mass‐selective quadrupole. The number of ions that reach the ICR cell is increased by an order of magnitude for the funnel/quadrupole relative to the tube lens/skimmer/octopole. Copyright © 2015 John Wiley & Sons, Ltd.     

Analysis of ethyl glucuronide and ethyl sulfate using aqueous normal‐phase chromatography with mass spectrometry

The use of aqueous normal‐phase chromatography is explored as a possible format for the analysis of the forensically significant compounds ethyl glucuronide and ethyl sulfate. Standard solutions of the two compounds are used to verify the retention capabilities of two stationary phases (diamond hydride and undecanoic acid). These results are then compared to data obtained on hair extracts to determine if any matrix effects exist with respect to both retention and peak shape. The undecanoic stationary phase is used for the establishment of calibration curves for quantitative analysis. These curves are utilized to determine the concentration of ethyl glucuronide in several hair samples tested.     

A Nanoscale Multiresponsive Luminescent Sensor Based on a Terbium(III) Metal–Organic Framework

A nanoscale terbium‐containing metal–organic framework ( nTbL ), with a layer‐like structure and [H₂NMe₂]⁺ cations located in the framework channels, was synthesized under hydrothermal conditions. The structure of the as‐prepared sample was systematically confirmed by powder XRD and elemental analysis; the morphology was characterized by field‐emission SEM and TEM. The photoluminescence studies revealed that rod‐like nTbL exhibited bright‐green emission, corresponding to ⁵D₄→⁷F_J (J=6–3) transitions of the Tb³⁺ ion under excitation. Further sensing measurements revealed that as‐prepared nTbL could be utilized as a multiresponsive luminescent sensor, which showed significant and exclusive detection ability for Fe³⁺ ions and phenylmethanol. These results highlight the practical applications of lanthanide‐containing metal–organic frameworks as fluorescent probes.     

Theoretical prediction of the host–guest interactions between novel photoresponsive nanorings and C60: A strategy for facile encapsulation and release of fullerene

A series of photoresponsive‐group‐containing nanorings hosts with 12～14 Å in diameter is designed by introducing different number of azo groups as the structural composition units. And the host–guest interactions between fullerene C₆₀ and those nanoring hosts were investigated theoretically at M06‐2X/6‐31G(d)//M06‐L/MIDI! and wB97X‐D/6‐31G(d) levels. Analysis on geometrical characteristics and host–guest binding energies revealed that the designed nanoring molecule (labeled as 7 ) which is composed by seven azo groups and seven phenyls is the most feasible host for encapsulation of C₆₀ guest among all candidates. Moreover, inferring from the simulated UV‐vis‐NIR spectroscopy, the C₆₀ guest could be facilely released from the cavity of the host 7 via configuration transformation between trans‐form and cis‐form of the host under the 563 nm photoirradiation. Additionally, the frontier orbital features, weak interaction regions, infrared, and NMR spectra of the C₆₀@7 host–guest complex have also been investigated theoretically. © 2015 Wiley Periodicals, Inc.     

Single nucleotide polymorphisms of mitochondrial DNA HVS‐I and HVS‐II in Chinese Bai ethnic group

For forensic and population genetic purposes, a total of 125 unrelated volunteers’ blood samples were collected from Chinese Bai ethnic minority group to analyze sequence variation of two hypervariable segments (HVS‐I and HVS‐II) in the mitochondrial DNA control region. Comparing the HVS‐I and HVS‐II sequences of the 125 Chinese Bais to the Anderson reference sequence, we found 86 polymorphic loci in HVS‐I and 40 in HVS‐II in mitochondrial DNA sequences of the Chinese Bai ethnic minority group, which defined 93 and 53 different haplotypes, respectively. Haplotype diversity and the mean pairwise differences were 0.992 ± 0.003 and 6.553 in HVS‐I, and 0.877 ± 0.027 and 2.407 in HVS‐II, respectively. We defined four macrohaplogroups R, M, N and D with the proportions ranging from 9.6% to 40.0%. With the analysis of the hypervariable domain from nucleotide 16 180–16 193 in HVS‐I, our study revealed new haplotypes of sequence variations. In addition, the Fst metric, phylogenetic tree, and principal component analysis demonstrated a close genetic relationship between the Bai group and Chinese Han populations from South China, Changsha, and Guangdong. The results support that the Bai group is a multiorigin ethnic minority that has merged with the Chinese Han population.     

Hydrothermal synthesis of peony-like CuO micro/nanostructures for high-performance lithium-ion battery anodes

The peony-like CuO micro/nanostructures were fabricated by a facile hydrothermal approach. The peonylike CuO micro/nanostructures about 3-5 μm in diameter were assembled by CuO nanoplates. These CuO nanoplates, as the building block, were self-assembled into multilayer structures under the action of ethidene diamine, and then grew into uniform peony-like CuO architecture. The novel peony-like CuO micro/nanostructures exhibit a high cycling stability and improved rate capability. The peony-like CuO micro/nanostructures electrodes show a high reversible capacity of 456 mAh/g after 200 cycles, much higher than that of the commercial CuO nanocrystals at a current 0.1 C. The excellent electrochemical performance of peony-like CuO micro/nanostructures might be ascribed to the unique assembly structure, which not only provide large electrode/electrolyte contact area to accelerate the lithiation reaction, but also the interval between the multilayer structures of CuO nanoplates electrode could provide enough interior space to accommodate the volume change during Li~+ insertion and de-insertion process.     

Certain properties related to well posedness of switching diffusions

This work is devoted to switching diffusions that have two components (a continuous component and a discrete component). Different from the so-called Markovian switching diffusions, in the setup, the discrete component (the switching) depends on the continuous component (the diffusion process). The objective of this paper is to provide a number of properties related to the well posedness. First, the differentiability with respect to initial data of the continuous component is established. Then, further properties including uniform continuity with respect to initial data, and smoothness of certain functionals are obtained. Moreover, Feller property is obtained under only local Lipschitz continuity. Finally, an example of Lotka–Volterra model under regime switching is provided as an illustration.     

Algorithm of Barrier Objective Penalty Function

In this paper, an algorithm of barrier objective penalty function for inequality constrained optimization is studied and a conception–the stability of barrier objective penalty function is presented. It is proved that an approximate optimal solution may be obtained by solving a barrier objective penalty function for inequality constrained optimization problem when the barrier objective penalty function is stable. Under some conditions, the stability of barrier objective penalty function is proved for convex programming. Specially, the logarithmic barrier function of convex programming is stable. Based on the barrier objective penalty function, an algorithm is developed for finding an approximate optimal solution to an inequality constrained optimization problem and its convergence is also proved under some conditions. Finally, numerical experiments show that the barrier objective penalty function algorithm has better convergence than the classical barrier function algorithm.     

Adaptive Fourier decomposition‐based Dirac type time‐frequency distribution

The Dirac‐type time‐frequency distribution (TFD), regarded as ideal TFD, has long been desired. It, until the present time, cannot be implemented, due to the fact that there has been no appropriate representation of signals leading to such TFD. Instead, people have been developing other types of TFD, including the Wigner and the windowed Fourier transform types. This paper promotes a practical passage leading to a Dirac‐type TFD. Based on the proposed function decomposition method, viz., adaptive Fourier decomposition, we establish a rigorous and practical Dirac‐type TFD theory. We do follow the route of analytic signal representation of signals founded and developed by Garbo, Ville, Cohen, Boashash, Picinbono, and others. The difference, however, is that our treatment is theoretically throughout and rigorous. To well illustrate the new theory and the related TFD, we include several examples and experiments of which some are in comparison with the most commonly used TFDs. Copyright © 2016 John Wiley & Sons, Ltd.     

Hybrid projection methods for equilibrium problems with non‐Lipschitz type bifunctions

Based on the extended extragradient‐like method and the linesearch technique, we propose three projection methods for finding a common solution of a finite family of equilibrium problems. The linesearch used in the proposed algorithms has allowed to reduce some conditions imposed on equilibrium bifunctions. The strongly convergent theorems are established without the Lipschitz‐type condition of bifunctions. The paper also helps in the design and analysis of practical algorithms and gives us a generalization of some previously known problems. Copyright © 2017 John Wiley & Sons, Ltd.