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Gross Primary Productivity (GPP) plays a vital role in the carbon cycle of terrestrial ecosystems. For the purpose of assessing the performance of various GPP products in a typical tropical area, this study conducted an intercomparison of seven different GPP products over Hainan Island, China, and analyzed spatiotemporal characteristics of GPP in different elevation regions and vegetation types over study area. The results showed that although the GPP spatial distribution pattern over Hainan Island, as presented by different GPP products, is similar- showing that GPP values in the southwest are higher than those in the northeast- there are significant differences in the spatial distributions and magnitudes of each GPP product. The multi-annual mean GPP values from the seven GPP products exhibited similar temporal variation trends, with GOSIF being obviously higher than other GPP products. The GPP products indicated significant differences in different elevation and vegetation type groups. The GPP gap between GLASS AVHRR and BESS V2 decreases slightly with the increase in elevation. Most GPP products show a consistent change trend over time. There were also significant differences in the results of significance tests for the change trends of GPP products. Though GOSIF is significantly higher than other GPP products, it demonstrated a relatively high correlation with all GPP products, while AGPP exhibited relatively low correlations with all GPP products. The quantitatively comparative analysis of seven different GPP products in this study is valuable for improving GPP retrieval models and can also serve as a scientific reference for the application of GPP products in tropical region vegetation studies.
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Ecossistema , Clima Tropical , China , Ciclo do Carbono , Monitoramento Ambiental , Análise Espaço-TemporalRESUMO
BACKGROUND AND PURPOSE: Ultra-high dose-rate radiotherapy (FLASH) has been shown to mitigate normal tissue toxicities associated with conventional dose rate radiotherapy (CONV) without compromising tumor killing in preclinical models. A prominent challenge in preclinical radiation research, including FLASH, is validating both the physical dosimetry and the biological effects across multiple institutions. MATERIALS AND METHODS: We previously demonstrated dosimetric reproducibility of two different electron FLASH devices at separate institutions using standardized phantoms and dosimeters. In this study, tumor-free adult female mice were given 10 Gy whole brain FLASH and CONV irradiation at both institutions and evaluated for the reproducibility and temporal evolution of multiple neurobiological endpoints. RESULTS: FLASH sparing of behavioral performance on novel object recognition (4 months post-irradiation) and of electrophysiologic long-term potentiation (LTP, 5 months post-irradiation) was reproduced between institutions. Differences between FLASH and CONV on the endpoints of hippocampal neurogenesis (Sox2, doublecortin), neuroinflammation (microglial activation), and electrophysiology (LTP) were not observed at early times (48 h to 2 weeks), but recovery of immature neurons by 3 weeks was greater with FLASH. CONCLUSION: In summary, we demonstrated reproducible FLASH sparing effects on the brain between two different beams at two different institutions with validated dosimetry. FLASH sparing effects on the endpoints evaluated manifested at later but not the earliest time points.
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Accurate quantification of lung density, in Hounsfield Units (HU), is of high importance to monitor progression of diseases such as emphysema using chest CT imaging. Reproducibility of HU quantification on independent photon counting detector CT (PCD-CT) systems with a focus on lung imaging have not yet been evaluated. We thus aimed to evaluate HU reproducibility on 2 independent PCD-CT systems using a repeatable phantom setup with identical acquisition and image reconstruction settings. A COPDGene phantom comprising densities of air, water and lung was scanned on 2 independent PCCT systems using 3 different radiation exposures, 2 medium-sharpness reconstruction kernels (Br40 and Qr36), with and without iterative reconstruction (levels 0 vs 3). Our results demonstrate that acquisitions performed with full dose (3.2 mGy), half dose (1.6 mGy), and one-eighth dose (0.4 mGy) had minimal influence on HU accuracy (<6 HU) when using Br40 and Qr36 kernels. The level of iterative reconstruction also has a minimal impact (<6 HU) with the same kernels. Between the 2 PCD-CT systems evaluated, reproducible HU quantification was achieved for changes to CTDIvol, iterative reconstruction level and reconstruction kernel.
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Pulmão , Imagens de Fantasmas , Fótons , Tomografia Computadorizada por Raios X , Tomografia Computadorizada por Raios X/instrumentação , Pulmão/diagnóstico por imagem , Reprodutibilidade dos Testes , Humanos , Processamento de Imagem Assistida por Computador/métodos , Doses de RadiaçãoRESUMO
Interest in biological air quality monitoring is rising, and updated public information is increasingly demanded by stakeholders in the case of airborne pollen, which requires maintaining high standards of data quality. The number of aerobiological stations worldwide is continuously growing, and quality management is becoming more complex with the increase in the scale of aerobiological networks. Quality control exercises are crucial for maintaining the quality of the data used in the pollen monitoring routine over time. In this study we show the results of an intercomparison test among technicians in the Madrid Region Palynological Network in central Spain in order to identify potential sources of error during the pollen analysis. The findings of this intercomparison exercise indicated very high-quality pollen data based on two different proficiency tests: i) the technicians' analysis of common samples with the light microscopes used in the routine pollen analysis; and ii) the analysis of common samples with all technicians using the same light microscope. A few specific remarkable errors were detected (i.e., those whose Absolute Error > |10| and Relative Error > |20 %|), such as confusion by four participants between Quercus vs. Acer and Quercus vs. Platanus pollen. Since the pollen analysis routine requires very experienced professionals, we believe it is essential to provide adequate training programmes for pollen analysis and the specific identification of these problematic pollen types. High-quality environmental data is crucial for sharing with regional, national and continental networks to ensure applicability, reproducibility and integration in large-scale studies.
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An intercomparison exercise on "microplastics in sediment" was carried out by five laboratories using samples collected in the Bay of Marseille in September 2021. The results from different extraction and identification methods varied depending on the type and size classes of MPs, and was better than 80 % for the size class >300 µm and for the fragments. The variability in recovery rates can be attributed to the choice of reagents and extraction protocols. Recovery rates per laboratory were between 47 % and 113 % and the use of ZnCl2 and NaI increased recovery rates by an average of 70 %. The lowest recovery rates (47 and 53 %) were attributed to the reference methods (FTIR and LDIR), conversely the highest (80 and 87 %) were attributed to identification by Nile Red. The average ranged between 23 and 53 items /50 g d.w. with decreases offshore and at greater depth.
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Baías , Monitoramento Ambiental , Sedimentos Geológicos , Microplásticos , Poluentes Químicos da Água , Sedimentos Geológicos/química , Monitoramento Ambiental/métodos , Poluentes Químicos da Água/análise , Microplásticos/análise , FrançaRESUMO
Drought is one of the foremost outcomes of global warming and global climate change. It is a serious threat to humans and other living beings. To reduce the adverse impact of drought, mitigation strategies as well as sound projections of extreme events are essential. This research aims to strengthen the robustness of anticipated twenty-first century drought by combining different Global Climate Models (GCMs). In this article, we develop a new drought index, named Maximum Relevant Prior Feature Ensemble index that is based on the newly proposed weighting scheme, called weighted ensemble (WE). In the application, this study considers 32 randomly scattered grid points within the Tibetan Plateau region and 18 GCMs of Coupled Model Intercomparison Project Phase 6 (CMIP6) of precipitation. In this study, the comparative inferences of the WE scheme are made with the traditional simple model averaging (SMA). To investigate the trend and long-term probability of various classes, this research employs Markov chain steady states probability, Mann-Kendall trend test, and Sen's Slope estimator. The outcomes of this research are twofold. Firstly, the comparative inference shows that the proposed weighting scheme has greater efficiency than SMA to conflate GCMs. Secondly, the research indicates that the Tibetan Plateau is projected to experience "moderate drought (MD)" in the twenty-first century.
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This study reports the performance of 7 types of consumer grade passive Electronic Radon Integrating Monitors, ERIM (AlphaE, AER Plus, Canary, Corentium Pro, Radon Scout Home, Ramon and Wave) and passive etched track radon detectors. All monitors and passive radon detectors were exposed side by side for 2 periods of 3 months under controlled conditions in the UKHSA radon chamber and in a stainless steel container to an average radon concentration of 4781 Bq m-3and 166 Bq m-3, respectively. The performance of each individual monitor was compared with Atmos 12DPX and AlphaGUARD P30 reference instruments. The performance of the monitors was evaluated by estimating the biased, precision and measurement errors of each type. It was found that UKHSA passive radon detectors showed excellent performance (measurement error < 10%) at both higher and lower exposures. The AlphaE, Canary and Ramon showed excellent performance, with measurement error <10%, when they were exposed to radon concentrations between 4000 Bq m-3and 6000 Bq m-3in the UKHSA radon chamber. However, when the monitors were exposed to radon levels below the UK radon Action Level of 200 Bq m-3, the only ERIM which had a measurement error <10% was the Radon Scout Home. All other monitors showed a significant decrease in their performance with measurement errors ranging between 20% and 50%. The calibration factor, which is the ratio between the measured value (background is subtracted) and the reference value, was also studied. It was found that the calibration factors of individual monitors changed significantly. Calibration measurements in 2019 and in 2023 found that the percentage change varied between -46% and +63%. This shows the importance of initial and regular calibration, and maintenance of the monitors.
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Poluentes Radioativos do Ar , Monitoramento de Radiação , Radônio , Radônio/análise , Monitoramento de Radiação/instrumentação , Poluentes Radioativos do Ar/análise , Poluição do Ar em Ambientes Fechados/análise , Desenho de Equipamento , HumanosRESUMO
PURPOSE: This interlaboratory comparison was conducted to evaluate the performance of the Latin-American Biodosimetry Network (LBDNet) in analyzing digitized images for scoring dicentric chromosomes from in vitro irradiated blood samples. The exercise also assessed the use of weighted robust algorithms to compensate the uneven expertise among the participating laboratories. METHODS: Three sets of coded images obtained through the dicentric chromosome assay from blood samples irradiated at 1.5 Gy (sample A) and 4 Gy (sample B), as well as a non-irradiated whole blood sample (sample C), were shared among LBDNet laboratories. The images were captured using the Metafer4 platform coupled with the AutoCapt module. The laboratories were requested to perform triage scoring, conventional scoring, and dose estimation. The dose estimation was carried out using either their laboratory calibration curve or a common calibration curve. A comparative statistical analysis was conducted using a weighted robust Hampel algorithm and z score to compensate for uneven expertise in dicentric analysis and dose assessment among all laboratories. RESULTS: Out of twelve laboratories, one had unsatisfactory estimated doses at 0 Gy, and two had unsatisfactory estimated doses at 1.5 Gy when using their own calibration curve and triage scoring mode. However, all doses were satisfactory at 4 Gy. Six laboratories had estimated doses within 95% uncertainty limits at 0 Gy, seven at 1.5 Gy, and four at 4 Gy. While the mean dose for sample C was significantly biased using robust algorithms, applying weights to compensate for the laboratory's analysis expertise reduced the bias by half. The bias from delivered doses was only notable for sample C. Using the common calibration curve for dose estimation reduced the standard deviation (s*) estimated by robust methods for all three samples. CONCLUSIONS: The results underscore the significance of performing interlaboratory comparison exercises that involve digitized and electronically transmitted images, even when analyzing non-irradiated samples. In situations where the participating laboratories possess different levels of proficiency, it may prove essential to employ weighted robust algorithms to achieve precise outcomes.
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Aberrações Cromossômicas , Humanos , Aberrações Cromossômicas/efeitos da radiação , Algoritmos , Laboratórios/normas , Radiometria/métodos , Processamento de Imagem Assistida por Computador/métodosRESUMO
The complex behavior of tritium and the probability of increasing tritium concentrations released in the environment were the promotors for the research and development of laboratory methods that enable to accurately determine the various forms of tritium including organically-bound tritium (OBT) for public and regulatory assurance. The measurement of tritium is a key step for dose and risk assessment. The Cernavoda Nuclear Power Plant (NPP) in Romania improved preparation methods and tested environmental matrices for OBT analysis through intercomparison exercises. This paper describes the international Organically-Bound Tritium (OBT) intercomparison exercise, organized by the Cernavoda Nuclear Power Plant (NPP) in 2019-2020, using fruit sample (quince) from Cernavoda town. Evaluation of the results from the participating laboratories was performed using both robust analysis (Algorithm A) method described in the ISO 13528:2015 standard and ANOVA method. The results obtained are encouraging as an increased number of participating laboratories did not change the observed dispersion of the results for activity concentration level around 50 Bq/L of combustion water. The stability of the remaining sample will be checked in time to investigate its use as a reference material for OBT analysis at the environmental levels.
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Monitoramento de Radiação , Trítio , Trítio/análise , Monitoramento de Radiação/métodos , Laboratórios/normas , Padrões de Referência , Centrais Nucleares , Romênia , HumanosRESUMO
Carbon nanotubes (CNTs) are increasingly being used in industrial applications, but their toxicological data in animals and humans are still sparse. To assess the toxicological dose-response of CNTs and to evaluate their pulmonary biopersistence, their quantification in tissues, especially lungs, is crucial. There are currently no reference methods or reference materials for low levels of CNTs in organic matter. Among existing analytical methods, few have been fully and properly validated. To remedy this, we undertook an inter-laboratory comparison on samples of freeze-dried pig lung, ground and doped with CNTs. Eight laboratories were enrolled to analyze 3 types of CNTs at 2 concentration levels each in this organic matrix. Associated with the different analysis techniques used (specific to each laboratory), sample preparation may or may not have involved prior digestion of the matrix, depending on the analysis technique and the material being analyzed. Overall, even challenging, laboratories' ability to quantify CNT levels in organic matter is demonstrated. However, CNT quantification is often overestimated. Trueness analysis identified effective methods, but systematic errors persisted for some. Choosing the assigned value proved complex. Indirect analysis methods, despite added steps, outperform direct methods. The study emphasizes the need for reference materials, enhanced precision, and organized comparisons.
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Pulmão , Nanotubos de Carbono , Nanotubos de Carbono/química , Nanotubos de Carbono/toxicidade , Animais , Suínos , Pulmão/química , Pulmão/efeitos dos fármacos , Laboratórios/normas , Compostos Orgânicos/análise , Compostos Orgânicos/químicaRESUMO
In the framework of the Forum for Air Quality Modelling in Europe (FAIRMODE), a modelling intercomparison exercise for computing NO2 long-term average concentrations in urban districts with a very high spatial resolution was carried out. This exercise was undertaken for a district of Antwerp (Belgium). Air quality data includes data recorded in air quality monitoring stations and 73 passive samplers deployed during one-month period in 2016. The modelling domain was 800 × 800 m2. Nine modelling teams participated in this exercise providing results from fifteen different modelling applications based on different kinds of model approaches (CFD - Computational Fluid Dynamics-, Lagrangian, Gaussian, and Artificial Intelligence). Some approaches consisted of models running the complete one-month period on an hourly basis, but most others used a scenario approach, which relies on simulations of scenarios representative of wind conditions combined with post-processing to retrieve a one-month average of NO2 concentrations. The objective of this study is to evaluate what type of modelling system is better suited to get a good estimate of long-term averages in complex urban districts. This is very important for air quality assessment under the European ambient air quality directives. The time evolution of NO2 hourly concentrations during a day of relative high pollution was rather well estimated by all models. Relative to high resolution spatial distribution of one-month NO2 averaged concentrations, Gaussian models were not able to give detailed information, unless they include building data and street-canyon parameterizations. The models that account for complex urban geometries (i.e. CFD, Lagrangian, and AI models) appear to provide better estimates of the spatial distribution of one-month NO2 averages concentrations in the urban canopy. Approaches based on steady CFD-RANS (Reynolds Averaged Navier Stokes) model simulations of meteorological scenarios seem to provide good results with similar quality to those obtained with an unsteady one-month period CFD-RANS simulations.
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A comparison of low-cost radon monitors was conducted at the Laboratory of Natural Radiation (LNR). The monitors we evaluated were EcoQube, RadonEye, RadonEye Plus2, Spirit, ViewPlus, ViewRadon and WavePlus. An AlphaGUARD monitor calibrated at the Laboratory of Environmental Radioactivity of the University of Cantabria (LaRUC), accredited for testing and calibration according to ISO/IEC 17025, provided the reference value of radon concentration. The temporal stability of the monitors was studied, obtaining a percentage of missing records ranged from 1% to 19% of the data. The main technical characteristics studied were temporal stability, measurement ranges, accuracy, correlation and response time. The main results show that the measurement ranges align with those specified by their manufacturers, with percentage differences with respect to the reference monitor of between 5% and 16%. The diversity found for response time is remarkable, with values ranging from 1 to 15 h, with Pearson correlation factors between 0.63 and 0.90.
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The EIVIC project was launched in 2020, and the main goal was the organisation of a European intercomparison of in-vivo monitoring laboratories dealing with direct measurements of gamma-emitting radionuclides incorporated into the body of exposed workers. This project was organised jointly by members of EURADOS Working Group 7 on internal dosimetry (WG7), the Federal Office for Radiation Protection (BfS, Germany) and the Radioprotection and Nuclear Safety Institute (IRSN, France). The objective was to assess the implementation of individual-monitoring requirements in EU Member States on the basis of in-vivo measurements and to gain insight into the performance of in-vivo measurements using whole-body counters. In this context, a total of 41 in-vivo monitoring laboratories from 21 countries, together with JRC (EC) and IAEA participated. The results were submitted in terms of activity (Bq) of the radionuclides identified inside phantoms that were circulated to all participants. The measured data were compared with reference activity values to evaluate the corresponding bias according to the standards ISO 28218 and ISO 13528. In general, the results of the different exercises are good, and most facilities are in conformity with the criteria for the bias and z-scores in the ISO standards. Furthermore, information about technical and organisational characteristics of the participating laboratories was collected to test if they had a significant influence on the reported results.
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Laboratórios , Monitoramento de Radiação , Humanos , Radiometria/métodos , Radioisótopos , França , Padrões de ReferênciaRESUMO
By assessing the changes in stable isotope compositions within individual pesticide molecules, Compound Specific Isotope Analysis (CSIA) holds the potential to identify and differentiate sources and quantify pesticide degradation in the environment. However, the environmental application of pesticide CSIA is limited by the general lack of knowledge regarding the initial isotopic composition of active substances in commercially available formulations used by farmers. To address this limitation, we established a database aimed at cataloguing and disseminating isotopic signatures in commercial formulations to expand the use of pesticide CSIA. Our study involved the collection of 25 analytical standards and 120 commercial pesticide formulations from 23 manufacturers. Subsequently, 59 commercial formulations and 25 standards were extracted, and each of their active substance was analyzed for both δ13C (n = 84) and δ15N CSIA (n = 43). The extraction of pesticides did not cause significant isotope fractionation (Δ13C and Δ15N < 1). Incorporating existing literature data, stable carbon and nitrogen isotope signatures varied in a relatively narrow range among pesticide formulations for different pesticides (Δ13C and Δ15N < 10) and within different formulations for a single substance (Δ13C and Δ15N < 2). Overall, this suggests that pesticide CSIA is more suited for identifying pesticide transformation processes rather than differentiating pesticide sources. Moreover, an inter-laboratory comparison showed similar δ13C (Δ13C ≤ 1.2 ) for the targeted substances albeit varying GC-IRMS instruments. Insignificant carbon isotopic fractionation (Δ13C < 0.5) was observed after 4 years of storing the same pesticide formulations, confirming their viability for long-term storage at 4 °C and future inter-laboratory comparison exercises. Altogether, the ISOTOPEST database, in open access for public use and additional contributions, marks a significant advancement in establishing an environmentally relevant pesticide CSIA approach.
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Praguicidas , Praguicidas/análise , Isótopos de Carbono/análise , Isótopos de Nitrogênio/análise , Fracionamento QuímicoRESUMO
PURPOSE: In 2018, the Netherlands Commission on Radiation Dosimetry subcommittee on IORT initiated a limited intercomparison of electron IORT (IOERT) in Belgium and The Netherlands. The participating institutions have enough variability in age, type of equipment, and in dose calibration protocols. METHODS: In this study, three types of IOERT-dedicated mobile accelerators were represented: Mobetron 2000, LIAC HWL and LIAC. Mobetron produces electron beams with energies of 6, 9 and 12 MeV, while LIAC HWL and LIAC can deliver 6, 8, 10 and 12 MeV electron beams. For all energies, the reference beam (10 cm diameter, 0° incidence) and 5 cm diameter beams were measured, as these smaller beams are used more frequently in clinic. The mailed TLD service from the Radiation Dosimetry Services (RDS, Houston, USA) has been used. Following RDS' standard procedures, each beam was irradiated to 300 cGy at dmax with TLDs around dmax and around depth of 50 % dose (R50). Absolute dose at 100 % and beam energy, expressed as R50, could be verified in this way. RESULTS: All absolute doses and energies under reference conditions were well within RDS-stated uncertainties: dose deviations were <5 % and deviations in R50 were <5 mm. For the small 5 cm beams, all results were also within acceptance levels except one absolute dose value. Deviations were not significantly dependent on manufacturer, energy, diameter and calibration protocol. CONCLUSIONS: All absolute dose values, except one of a non-reference beam, and all energy values were well within the measurement accuracy of RDS TLDs.
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Elétrons , Radiometria , BélgicaRESUMO
Source strength measurements are of critical importance for brachytherapy and are often performed in hospitals using well-type chambers. Quality assurance and quality control procedures should be implemented, but that may prove difficult in some hospitals due to the lack of equipment or metrological support. A study was conducted to investigate the status of the measurement equipment in Serbian hospitals and to organize an intercomparison campaign using a hospital 192Ir source. All the hospitals were able to measure the source strength with the required accuracy, but the quality assurance can be improved. Two hospitals performed stability checks, which were evaluated. Uncertainty budget was created during the exercise and is presented in this paper. The described methodology can be used to quickly assess the performance of brachytherapy centers, and can be easily adapted to calibration procedure.
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Braquiterapia , Braquiterapia/métodos , Sérvia , Dosagem Radioterapêutica , Controle de Qualidade , Calibragem , Radiometria/métodos , Radioisótopos de IrídioRESUMO
BACKGROUND AND PURPOSE: The FLASH effect has been validated in different preclinical experiments with electrons (eFLASH) and protons (pFLASH) operating at an average dose rate above 40 Gy/s. However, no systematic intercomparison of the FLASH effect produced by eFLASHvs. pFLASH has yet been performed and constitutes the aim of the present study. MATERIALS AND METHODS: The electron eRT6/Oriatron/CHUV/5.5 MeV and proton Gantry1/PSI/170 MeV were used to deliver conventional (0.1 Gy/s eCONV and pCONV) and FLASH (≥110 Gy/s eFLASH and pFLASH) dose rates. Protons were delivered in transmission. Dosimetric and biologic intercomparisons were performed using previously validated dosimetric approaches and experimental murine models. RESULTS: The difference between the average absorbed dose measured at Gantry 1 with PSI reference dosimeters and with CHUV/IRA dosimeters was -1.9 % (0.1 Gy/s) and + 2.5 % (110 Gy/s). The neurocognitive capacity of eFLASH and pFLASH irradiated mice was indistinguishable from the control, while both eCONV and pCONV irradiated cohorts showed cognitive decrements. Complete tumor response was obtained after an ablative dose of 20 Gy delivered with the two beams at CONV and FLASH dose rates. Tumor rejection upon rechallenge indicates that anti-tumor immunity was activated independently of the beam-type and the dose-rate. CONCLUSION: Despite major differences in the temporal microstructure of proton and electron beams, this study shows that dosimetric standards can be established. Normal brain protection and tumor control were produced by the two beams. More specifically, normal brain protection was achieved when a single dose of 10 Gy was delivered in 90 ms or less, suggesting that the most important physical parameter driving the FLASH sparing effect might be the mean dose rate. In addition, a systemic anti-tumor immunological memory response was observed in mice exposed to high ablative dose of electron and proton delivered at CONV and FLASH dose rate.
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Produtos Biológicos , Neoplasias , Terapia com Prótons , Humanos , Animais , Camundongos , Prótons , Elétrons , Dosagem Radioterapêutica , RadiometriaRESUMO
Gadolinium-153 was standardized for activity by live-timed anticoincidence counting and an ampoule was submitted to the international reference system (SIR). Absolute emission intensities for the main γ rays were determined with calibrated high-purity germanium (HPGe) and lithium-drifted silicon (Si(Li)) detectors. A revised decay scheme is indicated, with no probability of direct electron capture to the 153Eu ground state. Triple-to-double coincidence ratio (TDCR) efficiency curves indicate that the revised decay scheme is consistent with experiment. Half-life measurements agree with a previous NIST determination and show no sensitivity to chemical environment.
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Metabolomics encounters challenges in cross-study comparisons due to diverse metabolite nomenclature and reporting practices. To bridge this gap, we introduce the Metabolites Merging Strategy (MMS), offering a systematic framework to harmonize multiple metabolite datasets for enhanced interstudy comparability. MMS has three steps. Step 1: Translation and merging of the different datasets by employing InChIKeys for data integration, encompassing the translation of metabolite names (if needed). Followed by Step 2: Attributes' retrieval from the InChIkey, including descriptors of name (title name from PubChem and RefMet name from Metabolomics Workbench), and chemical properties (molecular weight and molecular formula), both systematic (InChI, InChIKey, SMILES) and non-systematic identifiers (PubChem, CheBI, HMDB, KEGG, LipidMaps, DrugBank, Bin ID and CAS number), and their ontology. Finally, a meticulous three-step curation process is used to rectify disparities for conjugated base/acid compounds (optional step), missing attributes, and synonym checking (duplicated information). The MMS procedure is exemplified through a case study of urinary asthma metabolites, where MMS facilitated the identification of significant pathways hidden when no dataset merging strategy was followed. This study highlights the need for standardized and unified metabolite datasets to enhance the reproducibility and comparability of metabolomics studies.
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Selenium (Se) is an essential nutrient for humans and enters our food chain through bioavailable Se in soil. Atmospheric deposition is a major source of Se to soils, driving the need to investigate the sources and sinks of atmospheric Se. Here, we used Se concentrations from PM2.5 data at 82 sites from 1988 to 2010 from the Interagency Monitoring of Protected Visual Environments (IMPROVE) network in the US to identify the sources and sinks of particulate Se. We identified 6 distinct seasonal profiles of atmospheric Se, grouped by geographical location: West, Southwest, Midwest, Southeast, Northeast, and North Northeast. Across most of the regions, coal combustion is the largest Se source, with a terrestrial source dominating in the West. We also found evidence for gas-to-particle partitioning in the wintertime in the Northeast. Wet deposition is an important sink of particulate Se, as determined by Se/PM2.5 ratios. The Se concentrations from the IMPROVE network compare well to modeled output from a global chemistry-climate model, SOCOL-AER, except in the Southeast US. Our analysis constrains the sources and sinks of atmospheric Se, thereby improving the predictions of Se distribution under climate change.