Dataset Information

Predicting the environmental fates of emerging contaminants: Synergistic effects in ozone reactions of nitrogen-containing alkenes.

ABSTRACT: While nitro and amino alkenes are common in pharmaceuticals, pesticides, and munitions, their environmental fates are not well known. Ozone is a ubiquitous atmospheric oxidant for alkenes, but the synergistic effects of nitrogen-containing groups on the reactions have not been measured. The kinetics and products of ozonolysis of a series of model compounds with different combinations of these functional groups have been measured in the condensed phase using stopped-flow and mass spectrometry methods. Rate constants span about six orders of magnitude with activation energies ranging from 4.3 to 28.2 kJ mol^-1. Vinyl nitro groups substantially decrease the reactivity, while amino groups have the opposite effect. The site of the initial ozone attack is highly structure dependent, consistent with local ionization energy calculations. The reaction of the neonicotinoid pesticide nitenpyram, which forms toxic N-nitroso compounds, was consistent with model compounds, confirming the utility of model compounds for assessing environmental fates of these emerging contaminants.

SUBMITTER: Wang X

PROVIDER: S-EPMC9984182 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

Predicting the environmental fates of emerging contaminants: Synergistic effects in ozone reactions of nitrogen-containing alkenes.

Wang Xinke X Wang Weihong W Wingen Lisa M LM Perraud Véronique V Ezell Michael J MJ Gable Jessica J Poulos Thomas L TL Finlayson-Pitts Barbara J BJ

Science advances 20230303 9

While nitro and amino alkenes are common in pharmaceuticals, pesticides, and munitions, their environmental fates are not well known. Ozone is a ubiquitous atmospheric oxidant for alkenes, but the synergistic effects of nitrogen-containing groups on the reactions have not been measured. The kinetics and products of ozonolysis of a series of model compounds with different combinations of these functional groups have been measured in the condensed phase using stopped-flow and mass spectrometry met ...[more]

PMID: 36867707

Similar Datasets

Project description:Modern rice cultivation relies heavily upon inorganic nitrogen fertilization. Effective fertilizer management is key to sustainable agricultural development. Field and pot trials were conducted in 2014-2016, including a 15N-labeled urea pot experiment (2014) to investigate mechanism by which optimized nitrogen fertilizer application (OFA) increases nitrogen utilization efficiency (NUE). Results showed that the applied nitrogen recovery efficiencies with OFA were 71.71%, 110.17%, and 51.38% higher than those obtained with traditional nitrogen fertilizer application (TFA) in 2014, 2015, and 2016, respectively. These improvements are attributed mainly to the high recovery efficiency rates derived from spikelet-developing and spikelet-promoting fertilizer applications at the jointing stage and 15-20 d after jointing. Under OFA, the amount of nitrogen fertilizer applied at the early stages was half that used in TFA, which not only promoted the absorption of soil nitrogen, but also reduced nitrogen loss to the environment, as the NUE of basal and tillering fertilizer was only about 22%. Nitrogen applied during the panicle differentiation stage increased the expression of ATM1;1, a NH4 + transporter in roots. This effect significantly improved the uptake of nitrogen derived from fertilizer from jointing to heading stage. Up-regulation of the expression and activity of GS and GOGAT at the panicle differentiation and grain-filling stages promoted nitrogen translocation from vegetative organs to reproductive organs. The uptake of nitrogen derived from fertilizer increased from 22.51% in TFA to 35.58% in OFA. Nevertheless, rice absorbs most of the nitrogen it requires from the soil. The OFA treatment could effectively utilize the environmental compensation effect, promote the absorption and transport of nitrogen, and ultimately lead to improvement in NUE. Future research should aim to understand the soil nitrogen supply capacity in order to apply nitrogenous fertilizer in such a way that it sustains the nitrogen balance.

Project description:Assessment of the nitrogen (N) inputs and outputs in croplands would help effectively manage the distribution of N to improve crop growth and environmental sustainability. To better understand the N flow of the main cereal systems in China, soil N balance, N use efficiency (NUE), N losses and the potential environmental impacts of maize, wheat and rice cropping systems were estimated at the regional and national scales from 2004 to 2018. Nationally, the soil N balance (N inputs-N outputs) of maize, wheat, single rice and double rice decreased by 28.8%,13.3%, 30.8% and 34.1% from 2004-2008 to 2014-2018, equivalent to an average of 33.3 to 23.7 kg N ha-1, 82.4 to 71.4 kg N ha-1, 93.6 to 64.8 kg N ha-1 and 51.8 to 34.1 kg N ha-1, respectively. The highest soil N balance were observed in Southeast (SE) region for maize and double rice, North central (NC) region for wheat single rice and Northwest region for wheat, whereas Northeast (NE) region had the lowest N balance for all crops. The NUE increased from 49.8%, 41.2%, 49.7% and 53.7% in 2004-2008 to 54.8%, 45.9%, 55.5% and 56.5% in 2014-2018 for maize, wheat, single rice and double rice, respectively. The fertilizer N losses (i.e., N2O emission, NO emission, N2 emission, NH3 volatilization, N leaching and N runoff) were estimated as 43.7%, 38.3%, 40.2% and 36.6% of the total N inputs for maize, wheat, single rice and double rice, respectively in 2014-2018. Additionally, the highest global warming potential and acidification effects were found in NE and NC regions for maize, NC region for wheat, the middle and lower reaches of Yangtze River for single rice and SE region for double rice, respectively. The highest risk of water contamination by N leaching and surface runoff was observed in NC region for all crops mainly due to high N fertilizer input. Furthermore, the dynamics of N balance for all crops were closely tied with grain yields, except for single rice, the N balance of which was mainly correlated with N fertilizer input. Our results could help researchers and policy makers effectively establish optimized fertilization strategies and adjust the regional allocation of grain cropping areas in response to environmental risks and climate change caused by food crop cultivation in China.

Dataset Information

Predicting the environmental fates of emerging contaminants: Synergistic effects in ozone reactions of nitrogen-containing alkenes.

Publications

Predicting the environmental fates of emerging contaminants: Synergistic effects in ozone reactions of nitrogen-containing alkenes.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets