RESUMO
Plant samples with irregular morphology are challenging for longitudinal tissue sectioning. This has restricted the ability to gain insight into some plants using matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI). Herein, we develop a novel technique termed electromagnetic field-assisted frozen tissue planarization (EMFAFTP). This technique involves using a pair of adjustable electromagnets on both sides of a plant tissue. Under an optimized electromagnetic field strength, nondestructive planarization and regularization of the frozen tissue is induced, allowing the longitudinal tissue sectioning that favors subsequent molecular profiling by MALDI-MSI. As a proof of concept, flowers, leaves and roots with irregular morphology from six plant species are chosen to evaluate the performance of EMFAFTP for MALDI-MSI of secondary metabolites, amino acids, lipids, and proteins among others in the plant samples. The significantly enhanced MALDI-MSI capabilities of these endogenous molecules demonstrate the robustness of EMFAFTP and suggest it has the potential to become a standard technique for advancing MALDI-MSI into a new era of plant spatial omics.
Assuntos
Campos Eletromagnéticos , Espectrometria de Massas por Ionização e Dessorção a Laser Assistida por Matriz , Espectrometria de Massas por Ionização e Dessorção a Laser Assistida por Matriz/métodos , Folhas de Planta/metabolismo , Folhas de Planta/química , Congelamento , Raízes de Plantas/metabolismo , Raízes de Plantas/química , Plantas/metabolismo , Plantas/química , Flores/metabolismo , Flores/químicaRESUMO
Phytohormones possess unique chemical structures, and their physiological effects are regulated through intricate interactions or crosstalk among multiple phytohormones. MALDI-MSI enables the simultaneous detection and imaging of multiple hormones. However, its application for tracing phytohormones is currently restricted by low abundance of hormone in plant and suboptimal matrix selection. 2,4-Dihydroxy-5-nitrobenzoic acid (DHNBA) was reported as a new MALDI matrix for the enhanced detection and imaging of multiple phytohormones in plant tissues. DHNBA demonstrates remarkable sensitivity improvement when compared to the commonly used matrix, 2,5-dihydroxybenzoic acid (DHB), in the detection of isoprenoid cytokinins (trans-zeatin (tZ), dihy-drozeatin (DHZ), meta-topolin (mT), and N6-(Δ2-isopentenyl) adenine (iP)), jasmonic acid (JA), abscisic acid (ABA), and 1-aminocyclo-propane-1-carboxylic acid (ACC) standards. The distinctive properties of DHNBA (i.e. robust UV absorption, uniform matrix deposition, negligible background interference, and high ionization efficiency of phytohormones) make it as an ideal matrix for enhanced detection and imaging of phytohormones, including tZ, DHZ, ABA, indole-3-acetic acid (IAA), and ACC, by MALDI-MSI in various plant tissues, for example germinating seeds, primary/lateral roots, and nodules. Employing DHNBA significantly enhances our capability to concurrently track complex phytohormone biosynthesis pathways while providing precise differentiation of the specific roles played by individual phytohormones within the same category. This will propel forward the comprehensive exploration of phytohormonal functions in plant science.
Assuntos
Reguladores de Crescimento de Plantas , Espectrometria de Massas por Ionização e Dessorção a Laser Assistida por Matriz , Reguladores de Crescimento de Plantas/metabolismo , Reguladores de Crescimento de Plantas/análise , Espectrometria de Massas por Ionização e Dessorção a Laser Assistida por Matriz/métodos , Gentisatos/metabolismo , Gentisatos/químicaRESUMO
Matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) is a powerful approach that has been widely used for in situ detection of various endogenous compounds in tissues. However, there are still challenges with in situ analysis of proteins using MALDI-MSI due to the ion suppression effects of small molecules in tissue sections. Therefore, tissue-washing steps are crucial for protein MALDI tissue imaging to remove these interfering molecules. Here, we successfully developed a new method named the concentration-descending washing strategy (CDWS) with methanol (MeOH), i.e., washing of biological tissue with 100%, 95%, and 70% MeOH solutions, for the enhancement of endogenous in situ protein detection and imaging in tissues using MALDI-MS. The method of MeOH-based CDWS (MeOH-CDWS) led to the successful in situ detection of 272 ± 3, 185 ± 4, and 134 ± 2 protein ion signals from rat liver, rat brain, and germinating Chinese-yew seed tissue sections, respectively. By comparison, 161 ± 2, 121 ± 1, and 114 ± 2 protein ions were detected by three commonly used methods, i.e., Carnoy's wash, ethanol (EtOH)-based CAWS (i.e., concentration-ascending washing strategy, 70% EtOH followed by 90% EtOH/9% AcOH), and isopropanol (iPrOH)-based CAWS (70% iPrOH followed by 95% iPrOH), respectively, in rat liver tissue sections, indicating that 68.9 ± 3.1%, 124.8 ± 3.3%, and 138.6 ± 4.4% more protein ion signals could be detected by the use of MeOH-CDWS than the three abovementioned washing strategies. Our results show that the use of MeOH-CDWS improves the performance of MALDI-MSI for in situ protein detection such as the number and intensity of proteins. The use of MeOH-CDWS improves the fixation of proteins and thus reduces the loss of proteins, which significantly reduces protein delocalization in tissue and enhances the performance of MALDI tissue imaging of protein. Thus, the use of MeOH-CDWS improves the quality of protein images in tissue sections through MALDI-MSI and has the potential to be used as standard practice for MALDI tissue imaging of proteins.
Assuntos
Metanol , Proteínas , Ratos , Animais , Espectrometria de Massas por Ionização e Dessorção a Laser Assistida por Matriz/métodos , Diagnóstico por Imagem , SementesRESUMO
Perfluorooctanoate (PFOA) and perfluorooctane sulfonate (PFOS) levels were determined in surface water, groundwater and sediments of the Jin River Basin, southeastern China. PFOA was detected in most of the samples, and its concentrations ranged from 0.53 to 8.77 ng/L, 0.26 to 15.1 ng/L and not detected (ND) to 23.9 ng/g in surface water, groundwater and sediments, respectively. Unlike PFOA, the detection frequency of PFOS was lower than 32%, and its concentrations ranged from ND to 2.56 ng/L, ND to 7.01 ng/L, ND to 11.1 ng/g in surface water, groundwater and sediments, respectively. The environmental risk assessment showed that PFOA could pose a high risk to surface water and groundwater, and both PFOA and PFOS posed a high risk to sediments. Moreover, the adults living in the Jin River Basin were at insignificant health risk to exposure to PFOA and PFOS through water consumption.
Assuntos
Ácidos Alcanossulfônicos , Fluorocarbonos , Água Subterrânea , Poluentes Químicos da Água , Ácidos Alcanossulfônicos/análise , Caprilatos , China , Fluorocarbonos/análise , Medição de Risco , Rios , Água , Poluentes Químicos da Água/análiseRESUMO
To our knowledge, this was the first study in which caffeic acid (CA) was successfully evaluated as a matrix to enhance the in situ detection and imaging of endogenous proteins in three biological tissue sections (i.e., a rat brain and Capparis masaikai and germinating soybean seeds) by matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI). Our results show several properties of CA, including strong ultraviolet absorption, a super-wide MS detection mass range close to 200,000 Da, micrometer-sized matrix crystals, uniform matrix deposition, and high ionization efficiency. More high-molecular-weight (HMW) protein ion signals (m/z > 30,000) could be clearly detected in biological tissues with the use of CA, compared to two commonly used MALDI matrices, i.e., sinapinic acid (SA) and ferulic acid (FA). Notably, CA shows excellent performance for HMW protein in situ detection from biological tissues in the mass range m/z > 80,000, compared to the use of SA and FA. Furthermore, the use of a CA matrix also significantly enhanced the imaging of proteins on the surface of selected biological tissue sections. Three HMW protein ion signals (m/z 50,419, m/z 65,874, and m/z 191,872) from a rat brain, two sweet proteins (mabinlin-2 and mabinlin-4) from a Capparis masaikai seed, and three HMW protein ion signals (m/z 94,838, m/z 134,204, and m/z 198,738) from a germinating soybean seed were successfully imaged for the first time. Our study proves that CA has the potential to become a standard organic acid matrix for enhanced tissue imaging of HMW proteins by MALDI-MSI in both animal and plant tissues.
Assuntos
Lasers , Proteínas , Animais , Ácidos Cafeicos , Peso Molecular , Ratos , Espectrometria de Massas por Ionização e Dessorção a Laser Assistida por MatrizRESUMO
In this study, the hydrochemical characteristics of shallow groundwater were analyzed to get insight into the factors affecting groundwater quality in a typical agricultural dominated area of the North China Plain. Forty-four shallow groundwater samples were collected for chemical analysis. The water type changes from Ca·Na-HCO3 type in grass land to Ca·Na-Cl (+NO3) type and Na (Ca)-Cl (+NO3+SO4) type in construction and facility agricultural land, indicating the influence of human activities. The factor analysis and geostatistical analysis revealed that the two major factors contributing to the groundwater hydrochemical compositions were the water-rock interaction and contamination from sewage discharge and agricultural fertilizers. The major ions (F, HCO3) and trace element (As) in the shallow groundwater represented the natural origin, while the nitrate and sulfate concentrations were related to the application of fertilizer and sewage discharge in the facility agricultural area, which was mainly affected by the human activities. The values of pH, total dissolved solids, electric conductivity, and conventional component (K, Ca, Na, Mg, Cl) in shallow groundwater increased from grass land and cultivated land, to construction land and to facility agriculture which were originated from the combination sources of natural processes (e.g., water-rock interaction) and human activities (e.g., domestic effluents). The study indicated that both natural processes and human activities had influences on the groundwater hydrochemical compositions in shallow groundwater, while anthropogenic processes had more contribution, especially in the reclaimed water irrigation area.
Assuntos
Irrigação Agrícola/métodos , Monitoramento Ambiental/métodos , Água Subterrânea/química , Atividades Humanas , Esgotos/análise , Poluentes Químicos da Água/análise , China , Fertilizantes/análise , Água Subterrânea/normas , Humanos , Qualidade da ÁguaRESUMO
Methane, the most significant reduced form of carbon on Earth, acts as a crucial fuel and greenhouse gas. Globally, microbial methane sinks encompass both aerobic oxidation of methane (AeOM), conducted by oxygen-utilizing methanotrophs, and anaerobic oxidation of methane (AOM), performed by anaerobic methanotrophs employing various alternative electron acceptors. These electron acceptors involved in AOM include sulfate, nitrate/nitrite, humic substances, and diverse metal oxides. The known anaerobic methanotrophic pathways comprise the internal aerobic oxidation pathway found in NC10 bacteria and the reverse methanogenesis pathway utilized by anaerobic methanotrophic archaea (ANME). Diverse anaerobic methanotrophs can perform AOM independently or in cooperation with symbiotic partners through several extracellular electron transfer (EET) pathways. AOM has been documented in various environments, including seafloor methane seepages, coastal wetlands, freshwater lakes, soils, and even extreme environments like hydrothermal vents. The environmental activities of AOM processes, driven by different electron acceptors, primarily depend on the energy yields, availability of electron acceptors, and environmental adaptability of methanotrophs. It has been suggested that different electron acceptors driving AOM may occur across a wider range of habitats than previously recognized. Additionally, it is proposed that methanotrophs have evolved flexible metabolic strategies to adapt to complex environmental conditions. This review primarily focuses on AOM, driven by different electron acceptors, discussing the associated reaction mechanisms and the habitats where these processes are active. Furthermore, it emphasizes the pivotal role of AOM in mitigating methane emissions.
Assuntos
Metano , Oxirredução , Metano/metabolismo , Anaerobiose , Archaea/metabolismo , Elétrons , Bactérias/metabolismo , Transporte de ElétronsRESUMO
A pilot project for groundwater recharge from rivers is currently being carried out in North China Plain. To investigate the influence of river recharge on groundwater hydrochemical characteristics, dynamic monitoring and analysis of groundwater samples were conducted at a typical recharge site in the Hutuo River alluvial-pluvial fan in the North China Plain from 2019 to 2021. Hydrochemical, isotopic, and multivariate statistical analyses were used to systematically reveal the spatiotemporal variation of groundwater chemistry and its driving factors during groundwater recharge process. The results showed that the groundwater hydrochemical types and characteristics in different recharge areas and recharge periods exhibited obvious spatiotemporal differences. The groundwater type varied from HCO3·SO4-Na·Mg to HCO3·SO4-Ca·Mg in an upstream ecological area, while the groundwater type changed from SO4·HCO3-Mg·Ca to HCO3·SO4-Ca·Mg in the downstream impacted by reclaimed water. Changes in the contents of Ca2+, Mg2+ and HCO3- were mostly controlled by the water-rock interactions and mixing-dilution of recharge water, while the increases in Na+, NO3-, Cl-, SO42- and NO3- contents were mainly due to the infiltration of reclaimed water. Nitrogen and oxygen isotope (δ15N and δ18O) tests and the Bayesian isotope mixing model results further demonstrated that nitrate pollution mainly originated from anthropogenic sources, and the major contribution came from manure and sewage, with an average proportion of 64.6 %. Principal component analysis indicated that water-rock interactions, river-groundwater mixing and redox environment alternation were dominant factors controlling groundwater chemical evolution in groundwater recharge process.
RESUMO
Multi-media environmental distribution of 21 pharmaceuticals in river water, coastal water, groundwater and sediments from the Jin River to adjacent marine embayment, Southeast China, was reported for the first time. All the detected 10 pharmaceuticals were antibiotics. Oxytetracycline (OTC), ciprofloxacin (CFC) and enrofloxacin (EFC) were the most ubiquitous antibiotics and could be detected in all water samples. EFC also showed the highest detection frequency (100%) in both riverine and coastal sediments. The detected antibiotics were more widely distributed in coastal environment of Asia, especially China, rather than Europe, USA and Australia. Sulfamethoxazole (SMX) showed stronger sorption onto sediments compared with other antibiotics due to its higher pseudo-partitioning coefficients (846-10,786 L kg-1). The discharged wastewater and aquaculture were the main sources of antibiotics in the multi-media environment. Risk assessment indicated that CFC and SMX posed high risks to Microcystis aeruginosa and Synechococcus leopolensis in river water, coastal water and groundwater.
Assuntos
Rios , Poluentes Químicos da Água , Poluentes Químicos da Água/análise , Monitoramento Ambiental , Antibacterianos/análise , China , Sulfametoxazol , Ciprofloxacina , Enrofloxacina , Preparações Farmacêuticas , Água , Medição de RiscoRESUMO
Nitrogen transport from terrestrial to aquatic environments could cause water quality deterioration and eutrophication. By sampling in the high- and low-flow periods in a highly disturbed coastal basin of Southeast China, hydrochemical characteristics, nitrate stable isotope composition, estimation of potential nitrogen source input fluxes, and the Bayesian mixing model were combined to determine the sources and transformation of nitrogen. Nitrate was the main form of nitrogen. Nitrification, nitrate assimilation, and NH4+ volatilization were the main nitrogen transformation processes, whereas denitrification was limited due to the high flow rate and unsuitable physicochemical properties. For both sampling periods, non-point source pollution from the upper to the middle reaches was the main source of nitrogen, especially in the high-flow period. In addition to synthetic fertilizer, atmospheric deposition and sewage and manure input were also major nitrate sources in the low-flow period. Hydrological condition was the main factor determining nitrate transformation in this coastal basin, despite the high degree of urbanization and the high volume of sewage discharge in the middle to the lower reaches. The findings of this study highlight that the control of agricultural non-point contamination sources is essential to pollution and eutrophication alleviation, especially for watersheds that receive high amounts of annual precipitation.
Assuntos
Nitrogênio , Poluentes Químicos da Água , Nitrogênio/análise , Isótopos de Nitrogênio/análise , Nitratos/análise , Esgotos/análise , Teorema de Bayes , Monitoramento Ambiental , Poluentes Químicos da Água/análise , Rios/química , China , Qualidade da Água , Análise Espaço-TemporalRESUMO
In this study, polyacrylamide gel (PAAG) was successfully used as a new embedding medium to provide the more effective maintenance of biological tissues during the sectioning process, enhancing the tissue imaging of metabolites via matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI). Herein, PAAG, agarose, gelatin, optimal cutting temperature compound (OCT), and ice media were used to embed rat liver and Atlantic salmon (Salmo salar) eyeball samples. These embedded tissues were then sectioned into thin slices and thaw-mounted on conductive microscope glass slides for MALDI-MSI detection to evaluate the embedding effects. The results showed that PAAG embedding has characteristics superior to those of commonly-used embedding media (e.g., agarose, gelatin, OCT, and ice) with the advantages of one-step operation without heating, a better performance of morphology maintenance, the absence of PAAG polymer-ion-related interference below m/z 2000, and the more efficient in situ ionization of metabolites, providing a significant enhancement of both the numbers and intensities of the metabolite ion signals. Our study demonstrates the potential of PAAG embedding as a standard practice for metabolite MALDI tissue imaging, which will lead to an expanded application scope of MALDI-MSI.
Assuntos
Gelatina , alfa 2-Macroglobulinas Associadas à Gravidez , Ratos , Animais , Gravidez , Feminino , Espectrometria de Massas por Ionização e Dessorção a Laser Assistida por Matriz/métodos , Gelo , SefaroseRESUMO
The transition from deep dormancy to seed germination is essential for the life cycle of plants, but how this process occurs in the gymnosperm Chinese yew (Taxus chinensis var mairei), the natural source of the anticancer drug paclitaxel, remains unclear. Herein, we analyse the transcriptome, proteome, spatial metabolome, and spatial lipidome of the Chinese yew and present the multi-omics profiles of dormant and germinating seeds. Our results show that abscisic acid and gibberellic acid 12 homoeostasis is closely associated with gene transcription and protein translation, and the balance between these phytohormones thereby determines if seeds remain dormant or germinate. We find that an energy supply of carbohydrates from glycolysis and the TCA cycle feed into the pentose phosphate pathway during seed germination, and energy supplied from lipids are mainly derived from the lipolysis of triacylglycerols. Using mass spectrometry imaging, we demonstrate that the spatial distribution of plant hormones and phospholipids has a remarkable influence on embryo development. We also provide an atlas of the spatial distribution of paclitaxel C in Chinese yew seeds for the first time. The data from this study enable exploration of the germination mechanism of Chinese yew seeds across several omics levels.
Assuntos
Taxus , Taxus/genética , Germinação , Multiômica , Sementes , CycadopsidaRESUMO
Groundwater of alluvial fan plains is the foremost water source, especially in arid/semiarid regions. Its contaminants are big issues for water supply and public health concern. To reveal the groundwater chemistry, contaminants sources and health threats in alluvial aquifers, 81 groundwaters were collected from a typical alluvial fan plain of northern China for nitrogen, fluoride and major ions analysis. Statistical analysis and hydrochemical diagrams as well as human health risk assessment were performed. Nitrate is widely distributed and 53% of groundwaters exceed the permissible limit with the maximum concentration up to 326 mg/L. The distributions of nitrite, ammonia and fluoride contaminants are sporadic in spatial, and the concentrations of fluoride in groundwaters are slightly beyond the permissible limit of 1 mg/L. The hydrochemical facies shift from HCO3-Ca or Mixed HCO3-Na·Ca type to Mixed Cl-Mg·Ca and ClCa type with the increase of nitrate content. Two factors (Factor-1 and Factor-2) are extracted by factor analysis and account 63% of the total variances. The positive loading of F- and negative loading of NO3- on Factor-2 reveal geogenic and anthropogenic origins, respectively. The significant positive loadings of TDS, TH, SO42-, Cl-, Ca2+, Mg2+ on Factor-1 reveal the governing mechanisms on groundwater chemistry by intermixed sources of geogenic origins and anthropogenic inputs. Hydrogeochemical evolution in the study area is driven by both water-rock interaction and anthropogenic forces. Anthropogenic inputs/influences are the dominated forces increasing groundwater nitrate content and salinity in the piedmont zone and the residential and industrial zone of the southeastern lower parts, and would pose potential non-carcinogenic risks to various populations via oral intake pathway. Rational measures should be taken to protect groundwater quality out of the threats of anthropogenic pollution. The geogenic fluoride in groundwater would threat the health of children through oral pathway and should be also concerned. CAPSULE: The driving forces of groundwater chemistry in alluvial fan plains were revealed using integrated approach of factor analysis and geostatistical modelling.
Assuntos
Água Subterrânea , Poluentes Químicos da Água , Monitoramento Ambiental , Fluoretos/análise , Humanos , Nitratos/análise , Poluentes Químicos da Água/análiseRESUMO
Michler's ethylketone (MEK, 4,4'-bis(diethylamino)benzophenone), commonly-known as an intermediate in the synthesis of dyes and pigments, was successfully screened and optimized as a novel matrix for the enhancement of lipid in situ detection and imaging in tissues by MALDI-MSI. The results show several properties of MEK as a powerful MALDI matrix, including strong UV absorption, µm-sized crystals and uniform matrix-coating, super high vacuum chemical stability, low matrix-related ion interference, super soft ionization, and high lipid ionization efficiency.
Assuntos
Espectrometria de Massas por Ionização e Dessorção a Laser Assistida por MatrizRESUMO
Groundwater resource is significantly important for sustainable development of the world, especially for arid endorheic watersheds. A total of 28 groundwaters were collected for hydrogeochemical analysis from the arid Chaka watershed on Tibetan plateau to illustrate the hydrochemical evolution, formation mechanisms and feasibility of groundwater in small arid endorheic watersheds where groundwater is much scarcer. The results showed groundwater has a slightly alkaline nature, and varies from soft fresh HCO3-Ca type to hard brackish/saline Cl-Na type along the groundwater flow path in the watershed with the total hardness in the range of 270-2,127 mg/L and the total dissolved solids in the range of 282-41,770 mg/L. Nitrogen and fluoride in phreatic water are found sporadically exceeding the permissible limits with the maximum value of 118 mg/L for nitrate, 1.2 mg/L for ammonia and 1.2 mg/L for fluoride. Hydrochemistry of phreatic and confined groundwater is naturally governed by water-rock interactions including minerals (halite, gypsum and anhydrite) dissolution, silicate weathering and cation-exchange reaction. The salinity of phreatic water is also dominantly controlled by the strong evaporation. Human activity is one of the important mechanisms influencing the hydrochemical signature of groundwater regardless of the depth. Groundwater has a great hydrogeochemical discrepancy spatially across the watershed and varies from excellent to extremely poor quality in phreatic aquifers. A better water quality that under the good to medium categories was observed in the confined aquifers with 80% of samples having the EWQI value less than 100 and others in the range of 100-150. Phreatic groundwater away from the river and in the downstream area has a relatively poor quality for domestic and agricultural purposes, and should be avoided to direct utilization. This research can improve the understanding of groundwater hydrogeochemical feature, genesis, and its constraints on the availability and feasibility of groundwater resources in small arid watersheds worldwide.
Assuntos
Água Subterrânea , Poluentes Químicos da Água , Monitoramento Ambiental , Humanos , Desenvolvimento Sustentável , Tibet , Poluentes Químicos da Água/análiseRESUMO
The widespread use of reclaimed water has alleviated the water resource crisis worldwide, but long-term use of reclaimed water for irrigation, especially in agricultural countries, might threaten the soil environment and further affect groundwater quality. An in-situ experiment had been carried out in the North China Plain, which aimed to reveal the impact of long-term reclaimed water irrigation on soil properties and distribution of potentially toxic elements (As, Cd, Cr, Hg, Zn and Pb) in the soil profile as well as shallow groundwater. Four land plots were irrigated with different quantity of reclaimed water to represent 0, 13, 22 and 35 years' irrigation duration. Pollution Load Index (PLI) values of each soil layer were calculated to further assess the pollution status of irrigated soils by potentially toxic elements (PTEs). Results showed that long-term reclaimed water irrigation caused appreciable increase of organic matter content, and might improve the soil quality. High soil organic matter concentrations conduced to high adsorption and retention capacity of the soils toward PTEs, which could reduce the risk of PTEs leaching into deep layers or shallow groundwater. Highest levels of Cr, Pb and Zn were observed at 200â»240 cm and 460â»500 cm horizons in plots. Longer irrigation time (35 years and 22 years) resulted in a decreasing trend of As, Cd, Hg, Pb and Zn in lower part of soil profiles (>540 cm) compared with that with 13-years' irrigation years. Long-term reclaimed water irrigation still brought about increases in concentrations of some elements in deep soil layer although their content in soils and shallow groundwater was below the national standard. Totally speaking, proper management for reclaimed water irrigation, such as reduction of irrigation volume and rate of reclaimed water, was still needed when a very long irrigation period was performed.
Assuntos
Irrigação Agrícola/métodos , Agricultura/métodos , Monitoramento Ambiental , Poluentes do Solo/análise , Águas Residuárias/análise , China , ReciclagemRESUMO
Solute transport modeling resolves advection, dispersion, and chemical reactions in groundwater systems with its accuracy depending on the resolution of domain at all scales, thus the computational efficiency of a simulator becomes a bottleneck for the wide application of numerical simulations. However, the traditional serial numerical simulators have reached their limits for the prohibitive computational time and memory requirement in solving large-scale problems. These limitations have greatly hindered the wide application of groundwater solute transport modeling. Thus, the development of an efficient method for handling large-scale groundwater solute transport simulation is urgently required. In this study, we developed and assessed a parallelized MT3DMS (Modular Three-Dimensional Multispecies Transport Model) by using OpenMP (Open specifications for Multi-Processing) to accelerate the solute transport simulation process. The parallelization was achieved by adding OpenMP compile directives (i.e., defining various types of parallel regions) into the most time-consuming packages, including the Advection package (ADV), Dispersion package (DSP), and Generalized Conjugate Gradient Solver package (GCG). This allows parallel processing on shared-memory multiprocessors, i.e., both the memory requirement and computing efforts are automatically distributed among all processors. Moreover, we discussed two different parallelization strategies for handling numerical models with either many layers or few layers. The performance of parallelized MT3DMS was assessed by two benchmark numerical models with different model domain sizes via a workstation with two quad-core processors. Results showed that the running time of parallelized MT3DMS can be 4.15 times faster than that using sequential MT3DMS. The effects of using different preconditioners (procedures that transform a given problem into a form that is more suitable for numerical solving methods) in the GCG package were additionally evaluated. The modified strategy for handling numerical models with few layers also achieved satisfactory results with running time two times faster than that via sequential simulation. Thus, the proposed parallelization allows high-resolution groundwater transport simulation with higher efficiency for large-scale or multimillion-cell simulation problems.