Proton-transfer-reaction mass spectrometry (PTR-MS) allows the detection of a large number of trace gases in air through proton-transfer reaction with H3O+ reagent ions and detection by a mass spectrometer. Measurement sensitivities can be experimentally determined using calibration gases or calculated using the rate constant for the proton-transfer reaction, but rate constants have only been measured for a subset of compounds. Numerous theoretical approaches that describe the ion-molecule collision processes have shown how to accurately calculate capture collision rate constants between an ion and neutral molecules using the polarizability and permanent dipole moment of the molecule. Here we show that polarizability, dipole moment, and resulting capture rate constants for proton-transfer reactions of H3O+ with various different volatile organic compounds (VOCs) can be obtained using the molecular mass, elemental composition, and functionality of VOCs. The polarizabilities of a class of VOCs possessing a specific number of electronegative atoms were linearly correlated with their molecular mass. The dipole moments in a series of VOCs, in which VOCs contain a specific functional group and arbitrary residual hydrocarbon parts, can be approximated as a constant value. The capture rate constants calculated using polarizability and dipole moment, as estimated from molecular mass, elemental composition, and functional group, agreed within 10% with measured values for most VOCs. Those capture rate constants were applied to the calculation of the sensitivities of VOCs detected by our PTR-MS, taking into account the ion transmission efficiency and the degree of fragmentation of protonated VOCs observed in that instrument as well as chemical properties of the VOCs. The resulting calculated sensitivities agreed within 20-50% of those measured by PTR-MS, but several notable exceptions exist. This result shows that the neutral concentration of a VOC detected as a protonated molecule in PTR-MS can be approximated using only molecular mass, elemental composition, and functionality of the VOC. The present study is useful for all PTR-MS instruments regardless of the type of mass analyzer; however, the identification of elemental composition by high mass resolution instrumentation is important. (C) 2017 Elsevier B.V. All rights reserved.
Objective To understand the relationships between CDH13 (T-cadherin) genetic polymorphisms, adiponectin levels and ischemic stroke, and possible interactions between CDH13 polymorphisms and other risk factors. Methods We recruited 342 Chinese ischemic stroke sib pairs. We genotyped rs4783244 and rs7193788 on CDH13 using time-of-flight mass spectrometry genotyping technology and measured total and high-molecular weight (HMW) adiponectin levels. We investigated associations between SNPs and ischemic stroke, and interactions between SNPs and other risk factors using multi-level mixed-effects regression model. Results In individuals without ischemic stroke, CDH13 rs4783244 was associated with total adiponectin levels (per T: Coef = -0.257, P = 0.001). CDH13 rs7193788 was associated with total adiponectin levels (per A: Coef = -0.221, P = 0.001) and HMW adiponectin levels (per A: Coef = -0.163, P = 0.003). rs7193788 was significantly associated with ischemic stroke (GA/AA vs. GG: OR = 1.55, 95% CI: 1.07 to 2.24, P = 0.020) after Bonferroni correction (alpha = 0.025). There was an interaction between rs7193788 and diabetes (P = 0.036). Compared to diabetes-free individuals with rs7193788 GG genotype, diabetes patients with rs7193788 GA/AA genotypes had higher risks for ischemic stroke (OR = 2.64, 95% CI: 1.58-4.40, P < 0.001). Conclusion CDH13 genetic polymorphisms are associated with adiponectin levels and ischemic stroke. An interaction is found between CDH13 SNP and diabetes for ischemic stroke.
Cell-associated ARGs in wastewater treatment plants (WWTPs) has been concerned, however, cell-free ARGs in WWTPs was rarely studied. In this study, the abundances of four representative ARGs, sulII, tetC, blaPSE‑1,and ermB, in a large municipal WWTP were investigated in both cell-associated and cell-free fractions. Cell-associated ARGs was the dominant ARGs fraction in the raw wastewater. After biological treatment, sludge settling, membrane filtration, and disinfection, cell-associated ARGs were substantially reduced, though the ratios of ARG/16S rRNA gene were increased with disinfection. Cell-free ARGs persisted in the WWTP with a removal of 0.36 log to 2.68 logs, which was much lower than the removal of cell-associated ARGs (3.21 logs to 4.14 logs). Therefore, the abundance ratio of cell-free ARGs to cell-associated ARGs increased from 0.04−1.59% to 2.00−1895.08% along the treatment processes. After 25-day-storage, cell-free ARGs in both biological effluent and disinfection effluent increased by 0.14 log to 1.99 logs and 0.12 log to 1.77 logs respectively, reflecting the persistence and low decay rate of cell-free ARGs in the discharge water. Therefore, cell-free ARGs might be a kind of important but previously neglected pollutant from WWTPs, which added potential risks to the effluent receiving environments.
The leakage of low and intermediate level radioactive wastes from cementitious barriers at disposal sites can pose long-term environmental threats. In this study, cementitious materials were modified with hematite nanoparticles at 1.0%, 3.0%, and 5.0% by mass to enhance uranium immobilization for the first time. After curing the specimens for 28 days, leaching experiments were carried out at 90 °C up to 28 days. The leached uranium and sodium ions in solutions were quantified, and the effects of hematite nanoparticles on the physicochemical and mechanical properties of cementitious materials were studied. The experimental results revealed that the addition of 1.0%, 3.0% and 5.0% hematite nanoparticles all significantly reduced uranium leaching, which is partially due to uranium adsorption onto hematite nanoparticles. Interestingly, the slowest uranium leaching was found in the specimens with 1.0% hematite nanoparticles. The leaching results were complemented by isothermal calorimetry measurements, mercury intrusion porosimetry, chemical analysis, and compression tests, which showed that hematite nanoparticles increased the cement hydration rate and degree, affected cementitious material pore structure development, decreased leachability, and increased compressive strength. These effects were found to be the strongest in specimens containing 1.0% hematite nanoparticles. This study provides new insights into the modification of cementitious materials with hematite nanoparticles for enhanced cement hydration and uranium immobilization. It suggests an economical strategy for the long-term disposal of low and intermediate level radioactive wastes.
Knowledge of particle number size distribution (PND) and new particle formation (NPF) events in Southern China is essential for mitigation strategies related to submicron particles and their effects on regional air quality, haze, and human health. In this study, seven field measurement campaigns were conducted from December 2013 to May 2015 using a scanning mobility particle sizer (SMPS) at four sites in Southern China, including three urban sites and one background site. Particles were measured in the size range of 15-615 nm, and the median particle number concentrations (PNCs) were found to vary in the range of 0.3 x 10(4)-2.2 x 10(4) cm(-3) at the urban sites and were approximately 0.2 x 10(4) cm(-3) at the background site. The peak diameters at the different sites varied largely from 22 to 102 nm. The PNCs in the Aitken mode (25-100 nm) at the urban sites were up to 10 times higher than they were at the background site, indicating large primary emissions from traffic at the urban sites. The diurnal variations of PNCs were significantly influenced by both rush hour traffic at the urbansites and NPF events. The frequencies of NPF events at the different siteswere 0%-30%, with the highest frequency occurring at an urban site during autumn. With higher SO2 concentrations and higher ambient temperatures being necessary, NPF at the urban site was found to bemore influenced by atmospheric oxidizing capability, while NPF at the background site was limited by the condensation sink. This study provides a unique dataset of particle number and size information in various environments in Southern China, which can help understand the sources, formation, and the climate forcing of aerosols in this quickly developing region, as well as help constrain and validate NPF modeling. (C) 2016 The Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences. Published by Elsevier B.V.
This is primarily an expository paper surveying up-to-date known results on the spectral theory of 1-Laplacian on graphs and its applications to the Cheeger cut, maxcut and multi-cut problems. The structure of eigenspace, nodal domains, multiplicities of eigenvalues, and algorithms for graph cuts are collected.
Biomass burning emits large amounts of both trace gases and particles into the atmosphere. It plays a profound role in regional air quality and climate change. In the present study, an intensive campaign was carried out at an urban site in Beijing, China, in June 2014, which covered the winter wheat harvest season over the North China Plain (NCP). Meanwhile, two evident biomass-burning events were observed. A clear burst in ultrafine particles (below 100 nm in diameter, PM1) and subsequent particle growth took place during the events. With the growth of the ultrafine particles, the organic fraction of PM1 increased significantly. The ratio of oxygen to carbon (O:C), which had an average value of 0.23 +/- 0.04, did not show an obvious enhancement, indicating that a significant chemical aging process of the biomass-burning aerosols was not observed during the course of events. This finding might have been due to the fact that the biomass-burning events occurred in the late afternoon and grewduring the nighttime, which is associated with a low atmospheric oxidation capacity. On average, organics and black carbon (BC) were dominant in the biomass-burning aerosols, accounting for 60 +/- 10% and 18 +/- 3% of PM1. The high organic and BC fractions led to a significant suppression of particle hygroscopicity. Comparisons among hygroscopicity tandem differential mobility analyzer (HTDMA)-derived, cloud condensation nuclei counter (CCNc)-derived, and aerosol mass spectrometer-based hygroscopicity parameter (kappa) values were consistent. The mean. values of biomass-burning aerosols derived from both HTDMA and CCNc measurements were approximately 0.1, regardless of the particle size, indicating that the biomass-burning aerosols were less active. The burst in particle count during the biomass-burning events resulted in an increased number of cloud condensation nuclei (CCN) at supersaturation (SS)= 0.2-0.8%. (C) 2016 Elsevier B.V. All rights reserved.
We propose a Chern-Simons field theoretical description of the fractional quantum Hall effect in 1+4 dimensions. It suggests that composite fermions reside on a momentum manifold with a nonzero Chern number. Based on derivations from microscopic wave functions, we further show that the momentum manifold has a uniformly distributed Berry curvature. As a result, composite fermions do not follow the ordinary Newtonian dynamics as commonly believed, but the more general symplectic one. For a Landau level with the particle-hole symmetry, the theory correctly predicts its Hall conductance at half-filling as well as the symmetry between an electron filling fraction and its hole counterpart.
We derive the phonon dynamics of magnetic metals in the presence of strong spin-orbit coupling. We show that both a dissipationless viscosity and a dissipative viscosity arise in the dynamics. While the dissipationless viscosity splits the dispersion of left-handed and right-handed circularly polarized phonons, the dissipative viscosity damps them differently, inducing circular phonon dichroism. The effect offers a new degree of manipulation of phonons, i.e., the control of the phonon polarization. We investigate the effect in Weyl semimetals. We find that there exists strong circular phonon dichroism in Weyl semimetals breaking both the time-reversal and the inversion symmetry, making them potential materials for realizing the acoustic circular polarizer.