Characteristics and Risk Factors for Pediatric Sepsis.

OBJECTIVE: Sepsis is considered a major cause of health loss in children and had high mortality and morbidity. Currently, there is no reliable model for predicting the prognosis of pediatric patients with sepsis. This study aimed to analyze the clinical characteristics of sepsis in children and assess the risk factors associated with poor prognosis in pediatric sepsis patients to identify timely interventions and improve their outcomes. METHODS: This study analyzed the clinical indicators and laboratory results of septic patients hospitalized in the Pediatric Intensive Care Unit of Tongji Hospital, Tongji Medical College, Huazhong University of Science and Technology, China, from January 1, 2019, to December 31, 2021. Risk factors for sepsis were identified by logistic regression analyses. RESULTS: A total of 355 children with sepsis were enrolled, with 333 children (93.8%) in the good prognosis group, and 22 children (6.2%) in the poor prognosis group. Among them, there were 255 patients (71.8%) in the sepsis group, and 100 patients (28.2%) in the severe sepsis group. The length of hospital stay in the poor prognosis group was longer than that in the good prognosis group (P<0.01). The levels of interleukin 1ß (IL-1ß) in the poor prognosis group were higher than those in the good prognosis group (P>0.05), and the platelet (PLT), albumin (ALB), and hemoglobin (Hb) levels were lower in the poor prognosis group (P<0.01). The IL-8 levels in the severe sepsis group were higher than those in the sepsis group (P<0.05). Multiple logistic regression analysis suggested that lower Hb levels, ALB levels, peak PLT counts, and higher IL-1ß levels were independent risk factors for poor prognosis in children with sepsis. CONCLUSION: Lower Hb, ALB, and PLT counts and elevated IL-1ß are independent risk factors for poor prognosis in children with sepsis.

Microecological characteristics of water bodies/sediments and microbial remediation strategies after 50 years of pollution exposure in ammunition destruction sites in China.

The effects of long-term ammunition pollution on microecological characteristics were analyzed to formulate microbial remediation strategies. Specifically, the response of enzyme systems, N/O stable isotopes, ion networks, and microbial community structure/function levels were analyzed in long-term (50 years) ammunition-contaminated water/sediments from a contamination site, and a compound bacterial agent capable of efficiently degrading trinitrotoluene (TNT) while tolerating many heavy metals was selected to remediate the ammunition-contaminated soil. The basic physical and chemical properties of the water/sediment (pH (up: 0.57-0.64), nitrate (up: 1.31-4.28 times), nitrite (up: 1.51-5.03 times), and ammonium (up: 7.06-70.93 times)) were changed significantly, and the significant differences in stable isotope ratios of N and O (nitrate nitrogen) confirmed the degradability of TNT by indigenous microorganisms exposed to long-term pollution. Heavy metals, such as Pb, Zn, Cu, Cd, Cs, and Sb, have synergistic toxic effects in ammunition-contaminated sites, and significantly decreased the microbial diversity and richness in the core pollution area. However, long-term exposure in the edge pollution area induced microorganisms to use TNT as a carbon and nitrogen sources for life activities and growth and development. The Bacteroidales microbial group was significantly inhibited by ammunition contamination, whereas microorganisms such as Proteobacteria, Acidobacteriota, and Comamonadaceae gradually adapted to this environmental stress by regulating their development and stress responses. Ammunition pollution significantly affected DNA replication and gene regulation in the microecological genetic networks and increased the risk to human health. Mg and K were significantly involved in the internal mechanism of microbial transport, enrichment, and metabolism of TNT. Nine strains of TNT-utilizing microbes were screened for efficient TNT degradation and tolerance to typical heavy metals (copper, zinc and lead) found in contaminated sites, and a compound bacterial agent prepared for effective repair of ammunition-contaminated soil significantly improved the soil ecological environment.

Arsenic species in soil profiles from chemical weapons (CWs) burial sites of China: Contamination characteristics, degradation process and migration mechanism.

In this study, soil profiles and pore water from Japanese abandoned arsenic-containing chemical weapons (CWs) burial sites in Dunhua, China were analyzed to understand the distribution of arsenic (As) contamination, degradation, and migration processes. Results of As species analysis showed that the As-containing agents underwent degradation with an average rate of 87.55 ± 0.13%, producing inorganic pentavalent arsenic (As5+) and organic arsenic such as 2-chlorovinylarsonic acid (CVAOA), triphenylarsenic (TPA), and phenylarsine oxide (PAO). Organic arsenic pollutants accounted for 1.27-18.20% of soil As. In the vertical profiles, total As concentrations peaked at about 40-60 cm burial depth, and the surface agricultural soil exhibited moderate to heavy contamination level, whereas the contamination level was insignificant below 1 m, reflecting As migration was relatively limited throughout the soil profile. Sequential extraction showed Fe/Al-bound As was the predominant fraction, and poorly-crystalline Fe minerals adsorbed 33.23-73.13% of soil As. Oxygen-susceptible surface soil formed poorly-crystalline Fe3+ minerals, greatly reducing downward migration of arsenic. However, the reduction of oxidizing conditions below 2 m soil depth may promote As activity and require attention.

Case report: Genetic analysis of a novel intronic inversion variant in the SPTB gene associated with hereditary spherocytosis.

Background: Hereditary spherocytosis (HS) is a congenital haemolytic anaemia attributed to dysregulation or abnormal quantities of erythrocyte membrane proteins. Currently, the most common erythrocytic gene, spectrin ß (SPTB), variants are located in exons and give rise to mRNA defects. However, the genetic characteristics and pathogenic mechanisms of SPTB intronic variants are not completely understood. This study aimed to analyse a rare intronic inversion variant in the SPTB gene associated with HS, and explore the impact of the variant on SPTB mRNA splicing. Method: The clinical manifestations of the patient were summarised and analysed for spherocytosis phenotype diagnosis. The pathogenic variant was identified in the proband using targeted next-generation and Sanger sequencing. RNA sequencing was performed to analyse whether SPTB gene splicing and expression were affected. Results: Targeted next-generation sequencing identified a novel disease-associated intronic inversion variant of the SPTB gene in the proband. The inversion variant was located between intron 19 and 20, and contained the entire exon 20 and partial sequences of adjacent introns. Sanger sequencing confirmed that the intronic inversion variant only appeared in the genome of the proband, not in his parents. RNA sequencing revealed that the variant could result in the skipping of exon 20 and reduced expression of SPTB mRNA. Conclusion: This study identifies a rare intronic inversion variant in the SPTB gene associated with hereditary spherocytosis. The pathogenic variant can lead to exon 20 skipping and decreased SPTB gene expression. This finding has not been previously reported in any literature. This study can expand the intronic variant spectrum of the SPTB gene, deepen our understanding of HS pathogenesis, and contribute to the genetic diagnosis and clinical management of patients.

Oxygen-insensitive nitroreductase bacteria-mediated degradation of TNT and proteomic analysis.

2,4,6-trinitrotoluene (TNT) is a nitroaromatic compound that causes soil and groundwater pollution during manufacture, transportation, and use, posing significant environmental and safety hazards. In this study, a TNT-degrading strain, Bacillus cereus strain T4, was screened and isolated from TNT-contaminated soil to explore its degradation characteristics and proteomic response to TNT. The results showed that after inoculation with the bacteria for 4 h, the TNT degradation rate reached 100% and was transformed into 2-amino-4,6-dinitrotoluene (2-ADNT), 4-amino-2,6-dinitrotoluene (4-ADNT), 2,4-diamino-6-nitrotoluene (2,4-DANT), and 2,6-diamino-4-nitrotoluene (2,6-DANT), accompanied by the accumulation of nitrite and ammonium ions. Through proteomic sequencing, we identified 999 differentially expressed proteins (482 upregulated, 517 downregulated), mainly enriched in the pentose phosphate, glycolysis/gluconeogenesis, and amino acid metabolism pathways. In addition, the significant upregulation of nitroreductase and N-ethylmaleimide reductase was closely related to TNT denitration and confirmed that the strain T4 converted TNT into intermediate metabolites such as 2-ADNT and 4-ADNT. Therefore, Bacillus cereus strain T4 has the potential to degrade TNT and has a high tolerance to intermediate products, which may effectively degrade nitroaromatic pollutants such as TNT in situ remediation in combination with other bacterial communities.

Spatial-vertical variations of energetic compounds and microbial community response in soils from an ammunition demolition site in China.

Ammunition-related activities have caused severe energetic compound (EC) contamination and pose serious risks to ecosystems. However, little is known regarding the spatial-vertical variations of ECs or their migration in soils at ammunition demolition sites. Although the toxic effect of some ECs to microorganisms have been reported through laboratory simulations, the responses of indigenous microbial communities to ammunition demolition activities are unclear. In this study, the spatial-vertical variations of ECs in 117 topsoil samples and three soil profiles from a typical ammunition demolition site in China were studied. Heavy contamination of ECs was concentrated in the top soils of the work platforms, and ECs were also detected in the surrounding area and nearby farmland. ECs showed different migration characteristics in the 0-100 cm soil layer of the different soil profiles. Demolition activities and surface runoff play critical roles in the spatial-vertical variations and migration of ECs. These findings suggest that ECs are able to migrate from the topsoil to the subsoil and from the core demolition area to further ecosystems. The work platforms exhibited lower microbial diversity and different microbiota compositions compared to the surrounding areas and farmlands. Using the random forest analysis, pH and 1,3,5-trinitrobenzene (TNB) were characterized as the most important factors affecting microbial diversity. Network analysis revealed that Desulfosporosinus was highly sensitive to ECs and may be a unique indicator of EC contamination. These findings provide key information in understanding EC migration characteristics in soils and the potential threats to indigenous soil microorganisms in ammunition demolition sites.

[Distribution Characteristics and Pollution Assessment of Heavy Metals in Soils of a Testing Range].

Heavy metal pollution in testing ranges is one of the most widely concerning environmental problems. The ammunition static detonation test area, the bomb falling area, and the living area of a testing range in Jilin were selected as the study objects. The contents of heavy metals (As, Cd, Cr, Cu, Ni, Pb, and Zn) in 112 topsoil samples and two soil profiles were analyzed, and their distribution characteristics and sources were analyzed in detail. After that, the pollution degree and potential ecological risk of heavy metals were investigated using multiple pollution index assessment methods. The results showed that the average contents of As, Cd, Cu, Ni, and Zn in the soil of the ammunition static detonation test area were higher than the soil background values in Jilin province, and the contents of Cu, Zn, As, and Cd showed strong spatial heterogeneity. The average concentrations of As, Cd, and Ni in the soil of the bomb falling area exceeded their background values. The average contents of As and Cd in the soil of the living area were higher than the background values, and the variation coefficients of Pb, Cd, Zn, and Cr were relatively high, indicating that they may have been affected by human activities. In different test areas, the contents of As, Cr, Cu, Ni, and Zn in the soil samples were significantly different (P<0.05). The ammunition static detonation test area was more strongly affected by the test activities than the bomb falling area, and the heavy metal contents in the surface layer of the soil profile were significantly higher. There was no obvious vertical migration of heavy metals in the soil profiles. The results of multivariate statistics and source identification analysis using absolute principal component score-multiple linear regression (APCS-MLR) showed that Zn, Pb, and Cd were mainly affected by pollution sources related to test activities; Cr and Ni were mainly affected by natural sources of soil forming materials; and the sources of As and Cu were more complicated. The geo-accumulation index showed that Cd in the three areas and Ni in the bomb falling area belonged to pollution level 1 (uncontaminated to moderately contaminated). The Nemerow comprehensive pollution index showed that the pollution levels among the different functional areas were:living area>ammunition static detonation test area>bomb falling area, and the three functional areas were slightly polluted. The potential ecological risk index showed that the study area was at moderate ecological risk level, and Cd was considered to be the main soil pollution factor.

Variations of microbiota in three types of typical military contaminated sites: Diversities, structures, influence factors, and co-occurrence patterns.

Contamination with energetic compounds (ECs) is common in military sites and poses a great risk to the environment and human health. However, its effects on the soil bacterial communities remain unclear. This study assessed the variations of bacterial communities, co-occurrence patterns, and their influence factors in three types of typical military-contaminated sites (artillery range, military-industrial site, and ammunition destruction site). The results showed that the most polluted sites were ammunition destruction sites, followed by military-industrial sites, whereas pollution in the artillery ranges was minimal. The average concentrations of ECs including 2,4,6-trinitrotoluene (TNT), hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) in the study sites ranged 120-1.67 × 105, 20-7.20 × 104, and 180-2.38 × 105 µg/kg, respectively. Bacterial diversity and community structure in military-industrial and ammunition destruction sites were significantly changed, but not in artillery ranges. TNT, pH, and soil moisture are the critical factors affecting bacterial communities in contaminated military sites. Co-occurrence network analysis indicated that the pressure of ECs affected bacterial interactions and microbiota function. Our findings provide new insights into the variations in bacterial communities in EC-contaminated military sites and references for the bioremediation of ECs.

Arsenic and heavy metals at Japanese abandoned chemical weapons site in China: distribution characterization, source identification and contamination risk assessment.

As-containing chemical weapons (CWs) and their degraded products pose a great threat to the environment and to human health. In this study, concentration and distribution characteristics, source identification, and health risk assessments were determined for As, Cr, Ni, Cu, Zn, Cd and Pb in environmental samples from Lianhuapao (LHP), a typical site of Japanese abandoned chemical weapons (JACWs) in China. The results show that the concentration levels of As, Cr and Ni in the LHP soils are abnormally high, with 69.57%, 83.33% and 91.67%, respectively, of the total sample exceeding the risk screening values for soil contamination of agricultural land. As levels in water samples were generally within safety limits, with the exception of perched water in the core contamination area. In the study area, none of the dominant plant species were enriched with As, except for the Pteris vittata L. Pentavalent arsenic was found to be the predominant arsenic species in the topsoil and water samples. Source identification using statistical approaches indicated that the concentrations of As, Pb, Cu, Cd and Zn are likely influenced by JACWs, while Cr and Ni levels may be related to the natural weathering process. The total concentrations of As, Cr and Ni showed a significant degree of contamination, but only As displayed high potential ecological risk. The calculated indexes of health risk evaluation strongly indicate an unacceptable carcinogenic risk (1E-04) to children, and higher non-carcinogenic risk, relative to that of adults. Our data indicate that the health risk from the resulting As contamination is still a cause for concern, although the JACWs were excavated decades ago from these soils.

Tuning solvent-solute interactions enable visual colorimetric detection of nitro-aromatic explosives.

The Janowski reaction is a critical reaction for visual colorimetric detection of nitro-aromatic explosives. However, the solvent effect is still not well explored. Herein, we report the solvent-dependent activity of the Janowski reaction between 2,4-dinitrotoluene (DNT)/2,4,6-trinitrotoluene (TNT) and NaOH. Four common solvents are studied. It is found that acetone with high donor number and low polarity is able to readily dissolve the product of Janowski reaction (Meisenheimer complexes) via Lewis acid-base interactions and solvation rules, facilitating the Janowski reactions between DNT/TNT and NaOH. Based on the color change of the Janowski reactions within acetone, a visual colorimetric assay is established. The present assay can detect DNT and TNT with a detection limit of 1.4 µM and 1.2 µM, which allows for naked-eye detection. In addition, this assay is highly selective and applicable to DNT/TNT detection in soil samples. Our work reveals the solvent effect on the Janowski reaction, providing a simple and rapid method for detection of nitro-aromatic explosives.

Study on the composition and distribution characteristics of As in As-containing agent contaminated soil.

In recent years, China and Japan are cooperating in the destruction of the Japanese army abandoned chemical weapons in China (JACWs). During the long-term burial of JACWs, As-containing agents leaked into the environment due to the corrosion of the shell, resulting in soil As pollution. This paper studied the fraction, speciation, and composition of As in the soil polluted by the As-containing agent in Jilin, China. The results showed that As was mainly distributed in the forest soil in the study area, with the highest concentration of 110 mg/kg, and had the trend of migration to the downhill farmland soil. As mainly accumulated in the amorphous Fe/Al oxides bounded fraction and residual states, the proportion of potentially risky fractions in the soil of downhill farmland is higher than that of uphill farmland. The speciation of As in the soil is mainly As(V), with an average content of 25.02 mg/kg. The transformation behavior of As in the horizontal migration of topsoil is mainly the oxidation of As (III). The residual organic As in soil mainly includes 2-chlorovinylarsonic acid, triphenylarsine, phenylarsine oxide, and diphenylarsonic acid. Similar to the influence factors of As, both speciation and organic compounds of As are significantly affected by Fe/Al/Mn-oxides, and degradation and transformation reactions such as redox occur during migration.

Application of iron oxyhydroxide to stabilize As(V) and phenylarsonic acid in contaminated soil: adsorption and the relevance to bioavailability.

The leaked arsenic-containing chemical warfare agent has caused severe contamination to the surrounding soil and water. In this study, iron oxyhydroxide (FeOOH) with different crystalline phases was used to stabilize arsenic. The results revealed that α/ß- mixed crystalline iron oxyhydroxide (MIX-FeOOH) had better adsorption performance for As(V) and phenylarsonic acid (PAA) in water, with the adsorption capacity 71.4 and 54.7 mg g-1 at 50 mg L-1 equilibrium concentration, respectively. The adsorption mechanism was proved to be inner-sphere complexation, electrostatic interaction, and hydrogen bonding. Meanwhile, the oxygen vacancies on FeOOH could increase the isoelectric point and further promote the adsorption capacity through inner-sphere complexation. In arsenic contaminated soil, when the addition amount of MIX-FeOOH was 5%, the bioavailability of arsenic in As(V) and PAA contaminated soil was significantly reduced after 28 days, and the stabilization rate reached 77.2% and 76.5%, respectively. After 7 days of remediation, 17.1% and 11.9% of the most mobile portions of As(V) and PAA could be converted into poorly mobile portions, respectively. The stabilization mechanism includes inner-sphere complexation, mineral adsorption, and coprecipitation. In summary, this study can provide technical support for the remediation practice of arsenic-containing warfare agent contaminated sites.

Arsenic in soils contaminated by arsenic-containing chemical weapons in a site of Jilin, China: fraction and bioaccessibility.

At the end of World War II, the Japanese abandoned arsenic (As)-containing chemical weapons (CWs) in China. During the long-term burial process, the As-containing agents leaked into the environment due to the corrosion of weapon shells. This study explored the surface distribution, fraction composition, and bioaccessibility of As in the soil contaminated by chemical weapons in a site of Jilin Province, China. Results showed that As was enriched in the soil of CWs buried and the maximum concentration of As in this area was 110 mg/kg (dry weight). In terms of fraction, As primarily accumulated in amorphous Fe/Al-oxides bound and residual fractions. Moreover, from the perspective of fractions with potential environmental risks, As accounted for 45.6-82.0% and 61.0-80.7% of the fractions extracted by Wenzel and Shiowatana sequential extraction procedure (SEP), respectively. Bioaccessibility can also be used to assess environmental risks. The mean values of As bioaccessibility were as follows: gastric phase (15.0%) > colon phase (14.8%) > small intestinal phase (13.3%), and the As bioaccessibility was closely related to the Fe/Al oxide bound fraction. Compared with the surrounding farmland, the potential environmental risk of soil pollution was more significant in the CW burial areas. This study provided support for remediation of As-containing agent-contaminated soil in China.

CTAB-functionalized δ-FeOOH for the simultaneous removal of arsenate and phenylarsonic acid in phenylarsenic chemical warfare.

This study prepared a cetyltrimethylammonium bromide (CTAB) functionalized δ-FeOOH using the coprecipitation method to remove arsenate and phenylarsonic acid in water polluted by phenylarsonic chemical warfare agents. Under neutral conditions, the adsorption capacity for arsenate and phenylarsonic acid was 45.7 and 85.3 mg g-1, respectively. The adsorption process conformed to the pseudo-second-order kinetics and Freundlich isothermal adsorption model, and the adsorption was spontaneous and endothermic. The CTAB-functionalized δ-FeOOH could effectively resist the interference of coexisting anions except for CO32-, SiO32- and PO43-. Furthermore, the adsorption mechanism was proposed by combining the adsorption experimental results, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, and density functional theory analyses. The results showed that the adsorption of arsenate by the CTAB-functionalized δ-FeOOH was mainly through the formation of bidentate-dinuclear inner-sphere complexes and electrostatic interactions. While for phenylarsonic acid, the formation of monodentate-mononuclear inner-sphere complexes on (100) and (110) crystal facets, and the formation of bidentate-dinuclear inner-sphere complexes on the (002) crystal facet, as well as hydrogen bonding, electrostatic interaction, and π-hydrophobic interaction between organic compounds were the primary mechanism. Moreover, the CTAB-functionalized δ-FeOOH could maintain about 60% of the adsorption capacity for the two pollutants after five cycles. Overall, CTAB-functionalized δ-FeOOH has good potential for the remediation of inorganic and organic arsenic-contaminated water bodies.

Contamination characteristics of energetic compounds in soils of two different types of military demolition range in China.

The pollution of energetic compounds (ECs) in military ranges has become the focus of worldwide attention. However, few studies on the contamination of ECs at Chinese military ranges have been reported to date. In this study, two different types of military demolition range in China, Dunhua (DH) and Taiyuan (TY), were investigated and the ECs in their soils were determined. 10 ECs were detected at both ranges. While all the contamination characteristics were distinct, 2,4,6-trinitrotoluene (TNT) was the most abundant contamination source in soils at DH range, with an average concentration of 1106 mg kg-1 and a maximum concentration of 34,083 mg kg-1. Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and two mono-amino degradation products of TNT were also found to have high concentrations, with potential ecological and human health risks. In contrast, the concentrations of ECs in soils of TY range were much lower. The content of RDX was most significant, with average and maximum concentrations of 7.8 and 158 mg kg-1, respectively. However, the potential threat to human health of 2,4-dinitrotoluene and 2,6-dinitrotoluene in soils at both ranges should not be ignored. The differences in pollution characteristics of the ECs at DH and TY are closely related to the types and amounts of the munitions destroyed. Moreover, the spatial distribution of ECs at the demolition ranges was extremely heterogeneous, which may be attributed to the use of open burning / open detonation and the non-homogeneous composition of the munitions.

Co-remediation of PTEs contaminated soil in mining area by heat modified sawdust and herb.

Exploring efficient remediation technologies to remediate potentially toxic element (PTE) in soil around the mining area has become a trendy research topic. This study conducted material composed of sawdust ash (SA) and sawdust biochar (SB) with mass ratio of SA:SB = 1:2 in combination with Medicago sativa L. and Festuca arundinacea to remediate soil contaminated by zinc (Zn), cadmium (Cd), and arsenic (As) in a mining area. The result showed that the removal rates of Zn, Cd, and As were the highest under the treatment of Festuca arundinacea combined with 5% material with values of 22.15%, 22.05%, and 12.47%, respectively. Festuca arundinacea had the most potent ability to absorb and tolerate composite PTEs, and the co-remediation process could remarkably improve soil enzyme environment and microbial community diversity. The distribution of PTEs in plant subcellular showed that the accumulation of Zn, Cd, and As in the cell wall of Festuca arundinacea root was significantly increased by adding 2% materials. The concentrations of Zn, Cd, and As in the cell wall were 4486.25, 33.59, and 124.15 mg/kg, respectively. The combination of 2% material and Festuca arundinacea could effectively remove PTEs in soil and enhance the detoxification ability of the plant, thus effectively improving the soil environment and remediating PTEs pollution. This study provided insights into the remediation of PTE-contaminated soil in mining area by combining materials and plants.

Analysis of the biodegradation and phytotoxicity mechanism of TNT, RDX, HMX in alfalfa (Medicago sativa).

The aim of this study was to reveal the mechanism underlying the toxicity of TNT (trinitrotoluene), RDX (cyclotrimethylene trinitroamine), and HMX (cyclotetramethylene tetranitramine) explosives pollution in plants. Here, the effects of exposure to these three explosives were examined on chlorophyll fluorescence, antioxidant enzyme activity, and the metabolite spectrum in alfalfa (Medicago sativa) plants. The degradation rates for TNT, RDX, and HMX by alfalfa were 26.8%, 20.4%, and 18.4%, respectively, under hydroponic conditions. TNT caused damage to the microstructure of the plant roots and inhibited photosynthesis, whereas RDX and HMX induced only minor changes. Exposure to any of the three explosives caused disturbances in the oxidase system. Non-targeted metabolomics identified a total of 6185 metabolites. TNT exposure induced the appearance of 609 differentially expressed metabolites (189 upregulated, 420 downregulated), RDX exposure induced 197 differentially expressed metabolites (155 upregulated and 42 downregulated), and HMX induced 234 differentially expressed metabolites (132 upregulated and 102 downregulated). Of these differentially expressed metabolites, lipids and lipid-like molecules were the main metabolites induced by explosives poisoning. TNT mainly caused significant changes in the alanine, aspartate, and glutamate metabolism metabolic pathways, RDX mainly caused disorders in the arginine biosynthesis metabolic pathway, and HMX disrupted the oxidative phosphorylation metabolic pathway. Taken together, the results show that exposure to TNT, RDX, and HMX leads to imbalances in plant photosynthetic characteristics and antioxidant enzyme systems, changes the basic metabolism of plants, and has significant ecotoxicity effects.

Biodegradation and physiological response mechanism of Bacillus aryabhattai to cyclotetramethylenete-tranitramine (HMX) contamination.

This study aims to reveal the biodegradation and interaction mechanism of cyclotetramethylenete-tranitramine (HMX) by a newly isolated bacteria. In this study, a bacterial strain (Bacillus aryabhattai) with high efficiency for HMX degradation was used as the test organism to analyze the changes in growth status, cell function, and mineral metabolism following exposure to different stress concentrations (0 and 5 mg L-1) of HMX. Non-targeted metabonomics was used to reveal the metabolic response of this strain to HMX stress. The results showed that when the HMX concentration was 5 mg L-1, the removal rate of HMX within 24 h of inoculation with Bacillus aryabhatta was as high as 90.5%, the OD600 turbidity was 1.024, and the BOD5 was 225 mg L-1. Scanning electron microscope (SEM) images showed that the morphology of bacteria was not obvious Variety, Fourier transform infrared spectroscopy (FTIR) showed that the cell surface -OH functional groups drifted, and ICP-MS showed that the cell mineral element metabolism was disturbed. Non-targeted metabonomics showed that HMX induced the differential expression of 254 metabolites (133 upregulated and 221 downregulated). The main differentially expressed metabolites during HMX stress were lipids and lipid-like molecules, and the most significantly affected metabolic pathway was purine metabolism. At the same time, the primary metabolic network of bacteria was disordered. These results confirmed that Bacillus aryabhattai has a high tolerance to HMX and can efficiently degrade HMX. The degradation mechanism involves the extracellular decomposition of HMX and transformation of the degradation products into intracellular purines, amino sugars, and nucleoside sugars that then participate in cell metabolism.

Single-Particle Imaging of Anion Exchange Reactions in Cuprous Oxide.

Ion exchange is a predominant and flexible route to tailor the composition and crystal structure of various materials. In situ monitoring of the ion exchange process at the single-particle level is critical to better understand the reaction mechanism and engineer high-performance materials. We report herein a dark-field imaging approach to in situ investigate the anion exchange reactions between individual Cu2O microparticles and S2- or Cl- assisted by the hydrolysis of Sn4+, which are visualized by directly observing the color change of single Cu2O microparticles. The variation of the scattering intensity is applied for quantitative analysis of anion exchange kinetics, revealing that this reaction process is dependent on the morphology, size, environmental pH, and reactant concentration. We directly observe that the corners of Cu2O are the preferential exchange sites, and the reaction activity is surface dependent. Moreover, the reaction rate constant and diffusion coefficient are estimated to be 1.1 × 10-2 s-1 and 9.4 × 10-11 cm2/s. Furthermore, a single-particle colorimetric assay is also fabricated for visual detection of S2-.

A Density Functional Theory Study toward Ring-Opening Reaction Mechanisms of 2,4,6-Trinitrotoluene's Meisenheimer Complex for the Biodegradation of Old Yellow Enzyme Flavoprotein Reductase.

The subsequent degradation pathway of the dihydride-Meisenheimer complex (2H--TNT), which is the metabolite of 2,4,6-trinitrotoluene (TNT) by old yellow enzyme flavoprotein reductases of yeast and bacteria, was investigated computationally at the SMD/TPSSH/6-311+G(d,p) level of theory. Combining the experimentally detected products, a series of protonation, addition, substitution (dearomatization), and ring-opening reaction processes from 2H--TNT to alkanes were proposed. By analyzing reaction free energies, we determined that the protonation is more advantageous thermodynamically than the dimerization reaction. In the ring-opening reaction of naphthenic products, the water molecule-mediated proton transfer mechanism plays a key role. The corresponding activation energy barrier is 37.7 kcal·mol-1, which implies the difficulty of this reaction. Based on our calculations, we gave an optimum pathway for TNT mineralization. Our conclusions agree qualitatively with available experimental results. The details on transition states, intermediates, and free energy surfaces for all proposed reactions are given and make up for a lack of experimental knowledge.