Improving photochemical indicators for attributing ozone sensitivities in source apportionment analysis.

Comprehensive Air Quality Model with extensions (CAMx)-Decoupled Direct Method (DDM) simulations of first-order ozone (O3) sensitivity to nitrogen oxides (NOx) and volatile organic compounds (VOCs) emissions were performed and combined with modelled [Formula: see text] ratios to obtain a range of thresholds for determining O3-sensitivity regimes for different areas of China. Utilising the new threshold ranges for photochemical indicators, the method for determining O3 formation in the Ozone Source Apportionment Technology (OSAT) module within CAMx was improved by a dynamically varied threshold of [Formula: see text] ratio. The O3 concentration contributions in the newly added transition regime were apportioned to NOx and VOCs emissions in proportion to the relationship between the [Formula: see text] ratio and first-order O3 sensitivity. The source contributions of O3 concentrations from different emission sectors from June to September 2019 were compared using the original and improved CAMx-OSAT. The results showed that the O3 concentration contributions changed significantly in the NOx-limited regime, with a maximum decrease of 21.89%, while the contributions increased by up to 7.57% in the VOC-limited regime, and were within 15 µg/m3 in the transition regime. The modified OSAT module enabled a more sophisticated attribution of O3 to precursor emissions and may have far-reaching implications for informing O3 pollution control policy.

Health effects of future dioxins emission mitigation from Chinese municipal solid waste incinerators.

Dioxins (including 2,3,7,8-tetrachlorodibenzo-p-dioxin, as Group 1 Carcinogen) in the atmosphere mainly originate from incomplete combustion during municipal solid waste (MSW) incineration. To significantly reduce dioxins emission from the MSW incineration industry, China has promulgated a set of ambitious plans regulating MSW-related pollution; however, the emission reduction potentials and concomitant environmental and health impacts associated with the implementation of these programs on a national scale remain unknown. Here, we use real measurements from official environmental impact assessment systems and continuous emissions monitoring systems (covering 96.6% of national MSW incinerators) to estimate unit-level dioxins emission and concomitant environmental and health impacts. We find that in 2018, 99.3% and 66.7% of Chinese incinerators met such concentration and temperature standards, respectively, controlling the total emissions to 19.6 g toxic equivalency quantity and maintaining carcinogenic and noncarcinogenic risks significantly below safety levels nationwide. Fully achieving both current standards and future regulations will reduce emissions and health risks by 67.7% and 62.6%, respectively, with waste sorting program contributing the majority. This study reveals substantial benefits from curbing MSW-related dioxins pollution and underscores the promise of ongoing management.

Formation processes and source contributions of ground-level ozone in urban and suburban Beijing using the WRF-CMAQ modelling system.

Beijing faces the challenge of high levels of ozone (O3) pollution. In this study, the Weather Research and Forecasting model and Community Multiscale Air Quality model (CMAQ) were used to simulate atmospheric O3 concentrations in Beijing. To investigate the formation mechanisms and source contributions of O3 pollution in different regions of Beijing, process analysis and the integrated source apportionment method within the CMAQ were applied to O3 concentrations in the summer of 2018. The process analysis results showed that vertical diffusion was the major contributor to O3 concentrations at all receptor sites in Beijing, at > 65.94 µg/(m3·hr). Gas-phase chemical reactions consumed a significant amount of O3 in urban and inner suburban areas (> -5.57 µg/(m3·hr)), while near-surface chemical reactions made positive contributions in outer suburban areas (> 4.72 µg/(m3·hr)). The O3 formation chemical reactions indicated that NO titration, which removes O3 at night-time, mainly occurred in urban areas. The weaker chemical reactions occurring near the surface in outer suburbs suggested that suburban-area O3 was produced in the upper atmospheric layers and was transported vertically to the lower layers. The O3 source apportionment results showed that boundary contributions were the dominant contributor to O3 pollution in Beijing (> 40%). The contribution of non-local emissions to O3 levels was significantly greater in the outer suburbs than in urban and inner suburban areas due to topography. This study increases the understanding of the complex processes of O3 formation in different areas of Beijing and informs the implementation of O3 control plans.

Modeling of spatial and temporal variations of ozone-NOx-VOC sensitivity based on photochemical indicators in China.

Comprehensive air quality model with extensions (CAMx)-decoupled direct method (DDM) was used to simulate ozone-NOx-VOCs sensitivity of for May-November in 2016-2018 in China. Based on the relationship between the simulated ozone (O3) sensitivity values and the ratio of formaldehyde (HCHO) to NO2 (FNR) and the ratio of production rate of hydrogen peroxide (H2O2) to production rate of nitric acid (HNO3) ( [Formula: see text] ), the localized range of FNR and [Formula: see text] thresholds in different regions in China were obtained. The overall simulated FNR values are about 1.640-2.520, and [Formula: see text] values are about 0.540-0.830 for the transition regime. Model simulated O3 sensitivities or region specific FNR or [Formula: see text] thresholds should be applied to ensure the accurate local O3 sensitivity regimes. Using the tropospheric column FNR values from ozone monitoring instrument (OMI) satellite data as an indicator with the simulated threshold values, the spatial distributions of O3 formation regimes in China are determined. The O3 sensitivity regimes from eastern to central China are gradually from VOC-limited, transition to NOx-limited spatially, and moving toward to transition or NOx-limited regime from 2005 to 2019 temporally.

Heavy haze pollution during the COVID-19 lockdown in the Beijing-Tianjin-Hebei region, China.

To investigate the characteristics of particulate matter with an aerodynamic diameter less than 2.5 µm (PM2.5) and its chemical compositions in the Beijing-Tianjin-Hebei (BTH) region of China during the novel coronavirus disease (COVID-19) lockdown, the ground-based data of PM2.5, trace gases, water-soluble inorganic ions, and organic and elemental carbon were analyzed in three typical cities (Beijing, Tianjin, and Baoding) in the BTH region of China from 5-15 February 2020. The PM2.5 source apportionment was established by combining the weather research and forecasting model and comprehensive air quality model with extensions (WRF-CAMx). The results showed that the maximum daily PM2.5 concentration reached the heavy pollution level (>150 µg/m3) in the above three cities. The sum concentration of SO42-, NO3- and NH4+ played a dominant position in PM2.5 chemical compositions of Beijing, Tianjin, and Baoding; secondary transformation of gaseous pollutants contributed significantly to PM2.5 generation, and the secondary transformation was enhanced as the increased PM2.5 concentrations. The results of WRF-CAMx showed obviously inter-transport of PM2.5 in the BTH region; the contribution of transportation source decreased significantly than previous reports in Beijing, Tianjin, and Baoding during the COVID-19 lockdown; but the contribution of industrial and residential emission sources increased significantly with the increase of PM2.5 concentration, and industry emission sources contributed the most to PM2.5 concentrations. Therefore, control policies should be devoted to reducing industrial emissions and regional joint control strategies to mitigate haze pollution.

Bioelectrochemical remediation of Cr(VI)/Cd(II)-contaminated soil in bipolar membrane microbial fuel cells.

Heavy-metal contaminated soils post great environmental and health concerns. In this study, Cr and Cd which are frequently observed in contaminated soils, were selected as representatives of hazardous heavy metals because of their different redox potentials and electric charges. Cr(VI)-, Cd(II)-, Cr(VI)/Cd(II)-contaminated soils were remediated in two-chamber air-cathode MFCs, in order to investigate the remediation of soil contaminated by single heavy metal and mixed heavy metals. Four ion exchange membranes (IEMs) were first evaluated to find out that bipolar membrane (BPM) was able to well maintain pH in both anolyte and catholyte, which was beneficial to support biological metabolism and heavy metal removal. It was also found that heavy metal ions (Cr, Cd or Cr/Cd) could migrate toward the cathode forming a concentration gradient under the weak electric field. The interaction between negatively charged Cr and positively charged Cd had no major effect to hinder each other on the migration, suggesting that the reduction reaction and electric field should be the main motivation for metal ion migration. The remediation performance of mixed heavy metal contaminated soil was superior to that of single heavy metal contaminated soil, for the possible reason of smaller internal resistance under mixed heavy metal condition.

Microbial Mineralization of Montmorillonite in Low-Permeability Oil Reservoirs for Microbial Enhanced Oil Recovery.

Microbial mineralization (corrosion, decomposition, and weathering) has been investigated for its role in the extraction and recovery of metals from ores. Here we report our application of biomineralization for the microbial enhanced oil recovery in low-permeability oil reservoirs. It aimed to reveal the etching mechanism of the four Fe(III)-reducing microbial strains under anaerobic growth conditions on Ca-montmorillonite. The mineralogical characterization of Ca-montmorillonite was performed by Fourier transform infrared spectroscopy, X-ray powder diffraction, scanning electron microscopy, and energy-dispersive spectrometry. Results showed that the microbial strains could efficiently reduce Fe(III) at an optimal rate of 71%, alter the crystal lattice structure of the lamella to promote interlayer cation exchange, and efficiently inhibit Ca-montmorillonite swelling at a rate of 48.9%.IMPORTANCE Microbial mineralization is ubiquitous in the natural environment. Microbes in low-permeability reservoirs are able to facilitate alteration of the structure and phase of the Fe-poor minerals by reducing Fe(III) and inhibiting clay swelling, which is still poorly studied. This study aimed to reveal the interaction mechanism between Fe(III)-reducing bacterial strains and Ca-montmorillonite under anaerobic conditions and to investigate the extent and rates of Fe(III) reduction and phase changes with their activities. Application of Fe(III)-reducing bacteria will provide a new way to inhibit clay swelling, to elevate reservoir permeability, and to reduce pore throat resistance after water flooding for enhanced oil recovery in low-permeability reservoirs.

Mixed random walks with a trap in scale-free networks including nearest-neighbor and next-nearest-neighbor jumps.

Random walks including non-nearest-neighbor jumps appear in many real situations such as the diffusion of adatoms and have found numerous applications including PageRank search algorithm; however, related theoretical results are much less for this dynamical process. In this paper, we present a study of mixed random walks in a family of fractal scale-free networks, where both nearest-neighbor and next-nearest-neighbor jumps are included. We focus on trapping problem in the network family, which is a particular case of random walks with a perfect trap fixed at the central high-degree node. We derive analytical expressions for the average trapping time (ATT), a quantitative indicator measuring the efficiency of the trapping process, by using two different methods, the results of which are consistent with each other. Furthermore, we analytically determine all the eigenvalues and their multiplicities for the fundamental matrix characterizing the dynamical process. Our results show that although next-nearest-neighbor jumps have no effect on the leading scaling of the trapping efficiency, they can strongly affect the prefactor of ATT, providing insight into better understanding of random-walk process in complex systems.

Spectrum of walk matrix for Koch network and its application.

Various structural and dynamical properties of a network are encoded in the eigenvalues of walk matrix describing random walks on the network. In this paper, we study the spectra of walk matrix of the Koch network, which displays the prominent scale-free and small-world features. Utilizing the particular architecture of the network, we obtain all the eigenvalues and their corresponding multiplicities. Based on the link between the eigenvalues of walk matrix and random target access time defined as the expected time for a walker going from an arbitrary node to another one selected randomly according to the steady-state distribution, we then derive an explicit solution to the random target access time for random walks on the Koch network. Finally, we corroborate our computation for the eigenvalues by enumerating spanning trees in the Koch network, using the connection governing eigenvalues and spanning trees, where a spanning tree of a network is a subgraph of the network, that is, a tree containing all the nodes.

Anomalous behavior of trapping in extended dendrimers with a perfect trap.

Compact and extended dendrimers are two important classes of dendritic polymers. The impact of the underlying structure of compact dendrimers on dynamical processes has been much studied, yet the relation between the dynamical and structural properties of extended dendrimers remains not well understood. In this paper, we study the trapping problem in extended dendrimers with generation-dependent segment lengths, which is different from that of compact dendrimers where the length of the linear segments is fixed. We first consider a particular case that the deep trap is located at the central node, and derive an exact formula for the average trapping time (ATT) defined as the average of the source-to-trap mean first passage time over all starting points. Then, using the obtained result we deduce a closed-form expression for the ATT to an arbitrary trap node, based on which we further obtain an explicit solution to the ATT corresponding to the trapping issue with the trap uniformly distributed in the polymer systems. We show that the trap location has a substantial influence on the trapping efficiency measured by the ATT, which increases with the shortest distance from the trap to the central node, a phenomenon similar to that for compact dendrimers. In contrast to this resemblance, the leading terms of ATTs for the three trapping problems differ drastically between extended and compact dendrimers, with the trapping processes in the extended dendrimers being less efficient than in compact dendrimers.

Exact calculations of first-passage properties on the pseudofractal scale-free web.

In this paper, we consider discrete time random walks on the pseudofractal scale-free web (PSFW) and we study analytically the related first passage properties. First, we classify the nodes of the PSFW into different levels and propose a method to derive the generation function of the first passage probability from an arbitrary starting node to the absorbing domain, which is located at one or more nodes of low-level (i.e., nodes with large degree). Then, we calculate exactly the first passage probability, the survival probability, the mean, and the variance of first passage time by using the generating functions as a tool. Finally, for some illustrative examples corresponding to given choices of starting node and absorbing domain, we derive exact and explicit results for such first passage properties. The method we propose can as well address the cases where the absorbing domain is located at one or more nodes of high-level on the PSFW, and it can also be used to calculate the first passage properties on other networks with self-similar structure, such as (u, v) flowers and recursive scale-free trees.

Interaction of heavy metals and pyrene on their fates in soil and tall fescue (Festuca arundinacea).

90-Day growth chamber experiments were performed to investigate the interactive effect of pyrene and heavy metals (Cu, Cd, and Pb) on the growth of tall fescue and its uptake, accumulation, and dissipation of heavy metals and pyrene. Results show that plant growth and phytomass production were impacted by the interaction of heavy metals and pyrene. They were significantly decreased with heavy metal additions (100-2000 mg/kg), but they were only slightly declined with pyrene spiked up to 100 mg/kg. The addition of a moderate dosage of pyrene (100 mg/kg) lessened heavy metal toxicity to plants, resulting in enhanced plant growth and increased metal accumulation in plant tissues, thus improving heavy metal removal by plants. In contrast, heavy metals always reduced both plant growth and pyrene dissipation in soils. The chemical forms of Cu, Cd, and Pb in plant organs varied with metal species and pyrene addition. The dissipation and mineralization of pyrene tended to decline in both planted soil and unplanted soils with the presence of heavy metals, whereas they were enhanced with planting. The results demonstrate the complex interactive effects of organic pollutants and heavy metals on phytoremediation in soils. It can be concluded that, to a certain extent, tall fescue may be useful for phytoremediation of pyrene-heavy metal-contaminated sites. Further work is needed to enhance methods for phytoremediation of heavy metal-organics co-contaminated soil.

Maximal entropy random walk improves efficiency of trapping in dendrimers.

We use maximal entropy random walk (MERW) to study the trapping problem in dendrimers modeled by Cayley trees with a deep trap fixed at the central node. We derive an explicit expression for the mean first passage time from any node to the trap, as well as an exact formula for the average trapping time (ATT), which is the average of the source-to-trap mean first passage time over all non-trap starting nodes. Based on the obtained closed-form solution for ATT, we further deduce an upper bound for the leading behavior of ATT, which is the fourth power of ln N, where N is the system size. This upper bound is much smaller than the ATT of trapping depicted by unbiased random walk in Cayley trees, the leading scaling of which is a linear function of N. These results show that MERW can substantially enhance the efficiency of trapping performed in dendrimers.

The clinical and genetic characteristics of maternally inherited diabetes and deafness (MIDD) with mitochondrial m.3243A > G mutation: A 10-year follow-up observation study and literature review.

Maternally inherited diabetes and deafness (MIDD) is often caused by the m.3243A > G mutation in mitochondrial DNA. Unfortunately, the characteristics of MIDD, especially long-term outcomes and heteroplasmic changes, have not been well described previously. The purpose of this study was to describe the clinical and genetic features of a family with MIDD after 10 years of follow-up.A 33-year-old male patient with typical characteristics of MIDD, including early-onset diabetes, deafness, and low body mass index, was admitted to our department. Further investigation revealed that the vast majority of his maternal relatives suffered from diabetes with or without deafness. A detailed family history was then requested from the patient and a pedigree was constructed. The patient suspected of MIDD was screened for mutations using whole mitochondrial DNA sequencing. Candidate pathogenic variants were then validated in other family members through Sanger sequencing. The patient was diagnosed with MIDD, with inherited m.3243A > G mutation in the mitochondrially encoded tRNA leucine 1 (MT-TL1) gene, after 10 years of symptom onset. The patient was then treated with insulin and coenzyme Q10 to improve mitochondrial function. During the follow-up period, his fasting blood glucose and HbA1c levels were improved and the incidence of diabetic ketoacidosis was significantly reduced. Our findings indicate that whole mitochondrial DNA sequencing should be considered for patients suspected of MIDD to improve the efficiency of diagnosis and prognosis.

Controlling the efficiency of trapping in treelike fractals.

Efficiently controlling the trapping process, especially the trapping efficiency, is central in the study of trap problem in complex systems, since it is a fundamental mechanism for diverse other dynamic processes. Thus, it is of theoretical and practical significance to study the control technique for trapping problem. In this paper, we study the trapping problem in a family of proposed directed fractals with a deep trap at a central node. The directed fractals are a generalization of previous undirected fractals by introducing the directed edge weights dominated by a parameter. We characterize all the eigenvalues and their degeneracies for an associated matrix governing the trapping process. The eigenvalues are provided through an exact recursive relation deduced from the self-similar structure of the fractals. We also obtain the expressions for the smallest eigenvalue and the mean first-passage time (MFPT) as a measure of trapping efficiency, which is the expected time for the walker to first visit the trap. The MFPT is evaluated according to the proved fact that it is approximately equal to reciprocal of the smallest eigenvalue. We show that the MFPT is controlled by the weight parameter by modifying which the MFPT can scale superlinealy, linearly, or sublinearly with the system size. Thus, this work paves a way to delicately controlling the trapping process in the fractals.

Random walks in unweighted and weighted modular scale-free networks with a perfect trap.

Designing optimal structure favorable to diffusion and effectively controlling the trapping process are crucial in the study of trapping problem--random walks with a single trap. In this paper, we study the trapping problem occurring on unweighted and weighted networks, respectively. The networks under consideration display the striking scale-free, small-world, and modular properties, as observed in diverse real-world systems. For binary networks, we concentrate on three cases of trapping problems with the trap located at a peripheral node, a neighbor of the root with the least connectivity, and a farthest node, respectively. For weighted networks with edge weights controlled by a parameter, we also study three trapping problems, in which the trap is placed separately at the root, a neighbor of the root with the least degree, and a farthest node. For all the trapping problems, we obtain the analytical formulas for the average trapping time (ATT) measuring the efficiency of the trapping process, as well as the leading scaling of ATT. We show that for all the trapping problems in the binary networks with a trap located at different nodes, the dominating scalings of ATT reach the possible minimum scalings, implying that the networks have optimal structure that is advantageous to efficient trapping. Furthermore, we show that for trapping in the weighted networks, the ATT is controlled by the weight parameter, through modifying which, the ATT can behave superlinearly, linearly, sublinearly, or logarithmically with the system size. This work could help improving the design of systems with efficient trapping process and offers new insight into control of trapping in complex systems.

Laplacian spectra of recursive treelike small-world polymer networks: analytical solutions and applications.

A central issue in the study of polymer physics is to understand the relation between the geometrical properties of macromolecules and various dynamics, most of which are encoded in the Laplacian spectra of a related graph describing the macrostructural structure. In this paper, we introduce a family of treelike polymer networks with a parameter, which has the same size as the Vicsek fractals modeling regular hyperbranched polymers. We study some relevant properties of the networks and show that they have an exponentially decaying degree distribution and exhibit the small-world behavior. We then study the Laplacian eigenvalues and their corresponding eigenvectors of the networks under consideration, with both quantities being determined through the recursive relations deduced from the network structure. Using the obtained recursive relations we can find all the eigenvalues and eigenvectors for the networks with any size. Finally, as some applications, we use the eigenvalues to study analytically or semi-analytically three dynamical processes occurring in the networks, including random walks, relaxation dynamics in the framework of generalized Gaussian structure, as well as the fluorescence depolarization under quasiresonant energy transfer. Moreover, we compare the results with those corresponding to Vicsek fractals, and show that the dynamics differ greatly for the two network families, which thus enables us to distinguish between them.

Influence of trap location on the efficiency of trapping in dendrimers and regular hyperbranched polymers.

The trapping process in polymer systems constitutes a fundamental mechanism for various other dynamical processes taking place in these systems. In this paper, we study the trapping problem in two representative polymer networks, Cayley trees and Vicsek fractals, which separately model dendrimers and regular hyperbranched polymers. Our goal is to explore the impact of trap location on the efficiency of trapping in these two important polymer systems, with the efficiency being measured by the average trapping time (ATT) that is the average of source-to-trap mean first-passage time over every staring point in the whole networks. For Cayley trees, we derive an exact analytic formula for the ATT to an arbitrary trap node, based on which we further obtain the explicit expression of ATT for the case that the trap is uniformly distributed. For Vicsek fractals, we provide the closed-form solution for ATT to a peripheral node farthest from the central node, as well as the numerical solutions for the case when the trap is placed on other nodes. Moreover, we derive the exact formula for the ATT corresponding to the trapping problem when the trap has a uniform distribution over all nodes. Our results show that the influence of trap location on the trapping efficiency is completely different for the two polymer networks. In Cayley trees, the leading scaling of ATT increases with the shortest distance between the trap and the central node, implying that trap's position has an essential impact on the trapping efficiency; while in Vicsek fractals, the effect of location of the trap is negligible, since the dominant behavior of ATT is identical, respective of the location where the trap is placed. We also present that for all cases of trapping problems being studied, the trapping process is more efficient in Cayley trees than in Vicsek fractals. We demonstrate that all differences related to trapping in the two polymer systems are rooted in their underlying topological structures.

Optimal scale-free network with a minimum scaling of transport efficiency for random walks with a perfect trap.

Average trapping time (ATT) is central in the trapping problem since it is a key indicator characterizing the efficiency of the problem. Previous research has provided the scaling of a lower bound of the ATT for random walks in general networks with a deep trap. However, it is still not well understood in which networks this minimal scaling can be reached. Particularly, explicit quantitative results for ATT in such networks, even in a specific network, are lacking, in spite that such networks shed light on the design for optimal networks with the highest trapping efficiency. In this paper, we study the trapping problem taking place on a hierarchical scale-free network with a perfect trap. We focus on four representative cases with the immobile trap located at the root, a peripheral node, a neighbor of the root with a single connectivity, and a farthest node from the root, respectively. For all the four cases, we obtain the closed-form formulas for the ATT, as well as its leading scalings. We show that for all the four cases of trapping problems, the dominating scalings of ATT can reach the predicted minimum scalings. This work deepens the understanding of behavior of trapping in scale-free networks, and is helpful for designing networks with the most efficient transport process.

Eigenvalues of normalized Laplacian matrices of fractal trees and dendrimers: analytical results and applications.

The eigenvalues of the normalized Laplacian matrix of a network play an important role in its structural and dynamical aspects associated with the network. In this paper, we study the spectra and their applications of normalized Laplacian matrices of a family of fractal trees and dendrimers modeled by Cayley trees, both of which are built in an iterative way. For the fractal trees, we apply the spectral decimation approach to determine analytically all the eigenvalues and their corresponding multiplicities, with the eigenvalues provided by a recursive relation governing the eigenvalues of networks at two successive generations. For Cayley trees, we show that all their eigenvalues can be obtained by computing the roots of several small-degree polynomials defined recursively. By using the relation between normalized Laplacian spectra and eigentime identity, we derive the explicit solution to the eigentime identity for random walks on the two treelike networks, the leading scalings of which follow quite different behaviors. In addition, we corroborate the obtained eigenvalues and their degeneracies through the link between them and the number of spanning trees.