Mechanism-based structure-activity relationship (SAR) analysis of aromatic amines and nitroaromatics carcinogenicity via statistical analyses based on CPDB.

Cancer is a leading cause of human mortality around the globe. In this study, mechanism-based SAR (Structure-Activity Relationship) was employed to investigate the carcinogenicity of aromatic amines and nitroaromatics based on CPDB. Principal component analysis and cluster analysis were used to construct the SAR model. Principle component analysis generated three principal components from 12 mechanism-based descriptors. The extracted principal components were later used for cluster analysis, which divided the selected 55 chemicals into six clusters. The three principal components were proposed to describe the "transport", "reactivity" and "electrophilicity" properties of the chemicals. Cluster analysis indicated that the relevant "transport" properties positively correlated with the carcinogenic potential and were contributing factors in determining the carcinogenicity of the studied chemicals. The mechanism-based SAR analysis suggested the electron donating groups, electron withdrawing groups and planarity are significant factors in determining the carcinogenic potency for studied aromatic compounds. The present study may provide insights into the relationship between the three proposed properties and the carcinogenesis of aromatic amines and nitroaromatics.

Nitrogen addition significantly affects forest litter decomposition under high levels of ambient nitrogen deposition.

BACKGROUND: Forest litter decomposition is a major component of the global carbon (C) budget, and is greatly affected by the atmospheric nitrogen (N) deposition observed globally. However, the effects of N addition on forest litter decomposition, in ecosystems receiving increasingly higher levels of ambient N deposition, are poorly understood. METHODOLOGY/PRINCIPAL FINDINGS: We conducted a two-year field experiment in five forests along the western edge of the Sichuan Basin in China, where atmospheric N deposition was up to 82-114 kg N ha(-1) in the study sites. Four levels of N treatments were applied: (1) control (no N added), (2) low-N (50 kg N ha(-1) year(-1)), (3) medium-N (150 kg N ha(-1) year(-1)), and (4) high-N (300 kg N ha(-1) year(-1)), N additions ranging from 40% to 370% of ambient N deposition. The decomposition processes of ten types of forest litters were then studied. Nitrogen additions significantly decreased the decomposition rates of six types of forest litters. N additions decreased forest litter decomposition, and the mass of residual litter was closely correlated to residual lignin during the decomposition process over the study period. The inhibitory effect of N addition on litter decomposition can be primarily explained by the inhibition of lignin decomposition by exogenous inorganic N. The overall decomposition rate of ten investigated substrates exhibited a significant negative linear relationship with initial tissue C/N and lignin/N, and significant positive relationships with initial tissue K and N concentrations; these relationships exhibited linear and logarithmic curves, respectively. CONCLUSIONS/SIGNIFICANCE: This study suggests that the expected progressive increases in N deposition may have a potential important impact on forest litter decomposition in the study area in the presence of high levels of ambient N deposition.

Nitrogen distribution and cycling through water flows in a subtropical bamboo forest under high level of atmospheric deposition.

BACKGROUND: The hydrological cycle is an important way of transportation and reallocation of reactive nitrogen (N) in forest ecosystems. However, under a high level of atmospheric N deposition, the N distribution and cycling through water flows in forest ecosystems especially in bamboo ecosystems are not well understood. METHODOLOGY/PRINCIPAL FINDINGS: In order to investigate N fluxes through water flows in a Pleioblastus amarus bamboo forest, event rainfall/snowfall (precipitation, PP), throughfall (TF), stemflow (SF), surface runoff (SR), forest floor leachate (FFL), soil water at the depth of 40 cm (SW1) and 100 cm (SW2) were collected and measured through the whole year of 2009. Nitrogen distribution in different pools in this ecosystem was also measured. Mean N pools in vegetation and soil (0-1 m) were 351.7 and 7752.8 kg ha(-1). Open field nitrogen deposition at the study site was 113.8 kg N ha(-1) yr(-1), which was one of the highest in the world. N-NH4(+), N-NO3(-) and dissolved organic N (DON) accounted for 54%, 22% and 24% of total wet N deposition. Net canopy accumulated of N occurred with N-NO3(-) and DON but not N-NH4(+). The flux of total dissolved N (TDN) to the forest floor was greater than that in open field precipitation by 17.7 kg N ha(-1) yr(-1), due to capture of dry and cloudwater deposition net of canopy uptake. There were significant negative exponential relationships between monthly water flow depths and monthly mean TDN concentrations in PP, TF, SR, FFL and SW1. CONCLUSIONS/SIGNIFICANCE: The open field nitrogen deposition through precipitation is very high over the world, which is the main way of reactive N input in this bamboo ecosystem. The water exchange and N consume mainly occurred in the litter floor layer and topsoil layer, where most of fine roots of bamboo distributed.

[Effects of simulated nitrogen deposition on soil enzyme activities in a Betula luminifera plantation in Rainy Area of West China].

From January 2008 to January 2009, a field experiment was conducted to investigate the effects of simulated nitrogen (N) deposition (0, 5, 15, and 30 g N x m(-2) x a(-1)) on the soil enzyme activities in a Betula luminifera plantation in Rainy Area of West China. As compared with the control (0 g N x m(-2) x a(-1)), simulated N deposition stimulated the activities of soil hydrolases (beta-fructofuranosidase, cellulase, acid phosphatase, and urease) significantly, but depressed the activities of soil oxidases (polyphenol oxidase and peroxidase). These results suggested that the increased exogenous inorganic N could stimulate soil microbial activity and increase the demands of both B. luminifera and soil microbes for C and P, whereas the depress of soil polyphenol oxidase and peroxidase activities under N addition could inhibit the degradation of litter and promote its accumulation in soil, leading to the increase of soil C storage in the B. luminifera plantation ecosystem.

[Characteristics of soil respiration components and their temperature sensitivity in a Pleioblastus amarus plantation in rainy area of West China].

To understand the characteristics of soil respiration components and their temperature sensitivity in a Pleioblastus amarus plantation in the Rainy Area of West China, a one-year periodic monitoring was conducted in a fixed plot of the plantation from February 2010 to January 2011. In the plantation, the mean annual soil respiration rate was 1.13 micromol x m(-2) x s(-1), and the soil respiration presented a clear seasonal pattern, with the maximum rate in mid-summer and the minimum rate in late winter. The contribution rates of the respiration of litter layer, root-free soil, and root to the total soil respiration of the plantation accounted for 30.9%, 20.8% and 48.3%, respectively, and the respiration of the components had a similar seasonal pattern to the total soil respiration, being related to temperature and litterfall. The annual CO2 efflux from the total soil respiration, litter layer CO2 release, root-free soil CO2 release, and root respiration was 4.27, 1.32, 0.87 and 2.08 Mg C x hm(-2) x a(-1), respectively. The total soil respiration and its components had significant positive linear correlations with litterfall, and significant positive exponential correlations with air temperature and the soil temperature at depth 10 cm. The Q10 values of total soil respiration, litter layer CO2 release, root-free soil CO2 release, and root respiration calculated based on the soil temperature were 2.90, 2.28, 3.09 and 3.19, respectively, suggesting that the temperature sensitivity of litter layer CO2 release was significantly lower than that of the total soil respiration and of its other components.

[Differentiation of plastic with laser induced breakdown spectroscopy].

The present article investigated the laser induced breakdown spectroscopy for a wide range of plastic (HDPE, LDPE, PET, NYLON) with the ultraviolet (UV) excitation wavelength. Compared with the National Institute of Standards and Technology atomic spectroscopy database line data, the author analyzed the detailed spectral atomic lines of the dominated elements. With the help of principal component analysis in the Chemometrics, the identification model was constructed under the method of cross-validation. Besides, all kinds of potential influence were analyzed for the detailed model. The result showed us vividly that the laser induced breakdown spectroscopy combined with the principal component analysis had the capacity to discriminate different plastic materials. It gave us a new method for model building and material discrimination. These results can be useful for further research on laser induced breakdown spectroscopy for the differentiation of different materials.

[Effects of simulated nitrogen deposition on the fine root characteristics and soil respiration in a Pleioblastus amarus plantation in rainy area of West China].

Fine root is critical in the belowground carbon (C) cycling in forest ecosystem. Aimed to understand the effects of nitrogen (N) deposition on the fine root characteristics and soil respiration in Pleioblastus amarus plantation, a two-year field experiment was conducted in the Rainy Area of West China. Four treatments with different levels of N deposition were installed, i. e., CK (0 g N x m(-2) x a(-1)), low N (5 g N x m(-2) x a(-1)), medium N (15 g N x m(-2) x a(-1)), and high N (30 g N x m(-2) x a(-1)). There were great differences in the biomass and element contents of <1 mm and 1-2 mm fine roots among the treatments. Comparing with < 1 mm fine roots, 1-2 mm fine roots had higher contents of lignin, P, and Mg, but lower contents of cellulose and Ca. Nitrogen deposition increased the biomass of < 2mm fine roots significantly, with the values being (533 +/- 89) g x m(-2) in CK, and (630 +/- 140), (632 +/- 168), and (820 +/- 161) g x m(-2) in treatments low N, medium N, and high N, respectively. The N, K, and Mg contents of <2 mm fine roots also had an obvious increase under N deposition. The annual soil respiration rate in treatments CK, low N, medium N, and high N was (5.85 +/- 0.43), (6.48 +/- 0.71), (6.84 +/- 0.57), and (7.62 +/- 0.55) t C x hm(-2) x a(-1), respectively, indicating that N deposition had obvious promotion effects on soil respiration. There were significant linear relationships between the annual soil respiration rate and the biomass and N content of <2 mm fine roots. N deposition increased the fine root biomass and promoted the root metabolism, and stimulated the rhizospheric soil respiration rate via promoting microbial activities.