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Water environment
About: Water environment is a research topic. Over the lifetime, 13384 publications have been published within this topic receiving 125138 citations.
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TL;DR: The qualitative results show that phenolic pollution existed extensively in the three rivers and the kinds of phenolic compounds in the water were relatively higher than in both sediment and suspended particulate matter.
56 citations
TL;DR: The differences originate dominantly from the parametrization of the peptide backbone in the given force field rather than from a noncovalent interaction with water molecules, which is one of the most important structure-driving elements.
Abstract: There is a need for a fast, accurate, and reliable method of sampling the conformational space of peptides and proteins in order to obtain a balanced free-energy profile which can lead to our understanding of protein structure. We have utilized metadynamics for the conformational study of the solvated alanine dipeptide molecule, and our results show that the method has proven to be competent as a fast, robust, and reliable method for the conformation free-energy calculations of peptides in an explicit solvent, surpassing traditional methods such as umbrella sampling. We have also addressed the issue of the influence of different water models on the resulting free-energy profile in order to consistently decompose the setting of our simulation. All of the explicit water models for the simulation of biomolecules TIP3P, TIP4P, TIP4P/Ew, TIP5P, and SPCE have exhibited similar effects on the conformational preferences of alanine dipeptide with no significant differences. On the other hand, by comparing the potential energy surface in the gas phase and the free-energy surface in a water environment, we have shown that the interaction with water molecules is one of the most important structure-driving elements, with a great influence on the free-energy surface (FES) of the solvated peptide and the conformational preferences of the peptide backbone. All of the tested force fields (ff03, ff99SB, opls-aa, and charmm27) appreciably differ in the population of the individual conformers and the barriers between them. Significant divergence was found on both the potential energy surface (PES) as well as free-energy surface (FES) calculated by charmm27. We have therefore concluded that the differences originate dominantly from the parametrization of the peptide backbone in the given force field rather than from a noncovalent interaction with water molecules.
56 citations
04 Mar 2019
TL;DR: The pathway from viral discovery to water quality monitoring tool, and select human-associated viruses identified by metagenomics and subsequently detected in the water environment are reviewed.
Abstract: Human exposure to pathogenic viruses in environmental waters results in a significant global disease burden. Current microbial water quality monitoring approaches, mainly based on fecal indicator bacteria, insufficiently capture human health impacts posed by pathogenic viruses in water. The emergence of the ‘microbiome era’ and high-throughput metagenome sequencing has led to the discovery of novel human-associated viruses, including both pathogenic and commensal viruses in the human microbiome. The discovery of novel human-associated viruses is often followed by their detection in wastewater, highlighting the great diversity of human-associated viruses potentially present in the water environment. Novel human-associated viruses provide a rich reservoir to develop viral water quality management tools with diverse applications, such as regulating wastewater reuse and monitoring agricultural and recreational waters. Here, we review the pathway from viral discovery to water quality monitoring tool, and highlight select human-associated viruses identified by metagenomics and subsequently detected in the water environment (namely Bocavirus, Cosavirus, CrAssphage, Klassevirus, and Pepper Mild Mottle Virus). We also discuss research needs to enable the application of recently discovered human-associated viruses in water quality monitoring, including investigating the geographic distribution, environmental fate, and viability of potential indicator viruses. Examples suggest that recently discovered human pathogens are likely to be less abundant in sewage, while other human-associated viruses (e.g., bacteriophages or viruses from food) are more abundant but less human-specific. The improved resolution of human-associated viral diversity enabled by metagenomic tools provides a significant opportunity for improved viral water quality management tools.
55 citations
TL;DR: In this article, a fuzzy comprehensive assessment method based on the entropy weight method was proposed; a water environmental safety evaluation index system was built, and then the water environmental health of the Heshangshan drinking water source area was evaluated.
Abstract: The safety of drinking water from source areas is an important issue, and the fuzzy comprehensive assessment method is a useful evaluation approach. However, it has limitations due to its complicated calculation, as well as the effects of subjective factors on the results. The objective of the research is to develop an effective method with more objective results for tackling water environmental evaluation problems in drinking water source areas. In this study, a new method— i.e., the fuzzy comprehensive assessment method based on the entropy weight method—was proposed; a water environmental safety evaluation index system was built, and then the water environmental safety of the Heshangshan drinking water source area was evaluated. The results indicated that the water environment of the study area was substantially safe. Furthermore, water-saving measurements should be taken, the industrial structure should be optimized, investment in environmental protection should be increased, and the utilization ratio of water resources should be improved. It can be concluded that the proposed approaches were feasible and reasonable. It is the first attempt to develop such an evaluation method and index system for water environmental safety evaluation, which can provide references and decision support for the related researchers and managers.
55 citations
TL;DR: The results reveal that the solvation effect cannot only greatly decrease the energy barrier of CO2 reduction but also affect the selectivity of the reaction processes, and the importance of the aqueous solution is shown, which should be helpful to understand the detailed reaction processes of photocatalysts.
Abstract: The conversion of CO2 by the virtue of sunlight has the great potential to produce useful fuels or valuable chemicals while decreasing CO2 emission from the traditional fossil fuels. Here, we use the first-principles calculations combined with the periodic continuum solvation model (PCSM) to explore the adsorption and reactivity of CO2 on rutile TiO2(110) in the water environment. The results exhibit that both adsorption structures and reactivity of CO2 are greatly affected by water coadsorption on rutile TiO2(110). In particular, the solvation effect can change the most stable adsorption configuration of CO2 and H2O on rutile TiO2(110). In addition, the detailed conversion mechanism of CO2 reduction is further explored in the water environment. The results reveal that the solvation effect cannot only greatly decrease the energy barrier of CO2 reduction but also affect the selectivity of the reaction processes. These results presented here show the importance of the aqueous solution, which should be helpful to understand the detailed reaction processes of photocatalysts.
55 citations