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1.
PLoS One ; 19(9): e0295662, 2024.
Article in English | MEDLINE | ID: mdl-39240878

ABSTRACT

Stable isotope data have made pivotal contributions to nearly every discipline of the physical and natural sciences. As the generation and application of stable isotope data continues to grow exponentially, so does the need for a unifying data repository to improve accessibility and promote collaborative engagement. This paper provides an overview of the design, development, and implementation of IsoBank (www.isobank.org), a community-driven initiative to create an open-access repository for stable isotope data implemented online in 2021. A central goal of IsoBank is to provide a web-accessible database supporting interdisciplinary stable isotope research and educational opportunities. To achieve this goal, we convened a multi-disciplinary group of over 40 analytical experts, stable isotope researchers, database managers, and web developers to collaboratively design the database. This paper outlines the main features of IsoBank and provides a focused description of the core metadata structure. We present plans for future database and tool development and engagement across the scientific community. These efforts will help facilitate interdisciplinary collaboration among the many users of stable isotopic data while also offering useful data resources and standardization of metadata reporting across eco-geoinformatics landscapes.


Subject(s)
Databases, Factual , Metadata , Isotopes , Internet
2.
Isotopes Environ Health Stud ; 60(4): 380-399, 2024 Aug.
Article in English | MEDLINE | ID: mdl-39225427

ABSTRACT

Stable isotope techniques are precise methods for studying various aspects of hydrology, such as precipitation characteristics. However, understanding the variations in the stable isotope content in precipitation is challenging in Iran due to numerous climatic and geographic factors. To address this, forty-two precipitation sampling stations were selected across Iran to assess the fractional importance of these climatic and geographic parameters influencing stable isotopes. Additionally, deep learning models were employed to simulate the stable isotope content, with missing data initially addressed using the predictive mean matching (PMM) method. Subsequently, the recursive feature elimination (RFE) technique was applied to identify influential parameters impacting Iran's precipitation stable isotope content. Following this, long short-term memory (LSTM) and deep neural network (DNN) models were utilized to predict stable isotope values in precipitation. Interpolated maps of these values across Iran were developed using inverse distance weighting (IDW), while an interpolated reconstruction error (RE) map was generated to quantify deviations between observed and predicted values at study stations, offering insights into model precision. Validation using evaluation metrics demonstrated that the model based on DNN exhibited higher accuracy. Furthermore, RE maps confirmed acceptable accuracy in simulating the stable isotope content, albeit with minor weaknesses observed in simulation maps. The methodology outlined in this study holds promise for application in regions worldwide characterized by diverse climatic conditions.


Subject(s)
Climate , Deep Learning , Rain , Iran , Rain/chemistry , Isotopes/analysis , Environmental Monitoring/methods , Carbon Isotopes/analysis , Oxygen Isotopes/analysis
3.
Environ Sci Technol ; 58(40): 17703-17716, 2024 Oct 08.
Article in English | MEDLINE | ID: mdl-39317642

ABSTRACT

Atmospheric deposition plays a significant role in introducing cadmium (Cd) into agroecological systems; however, accurately determining its accumulation in crops through foliar and root uptake presents challenges. This study investigated the bioaccumulation of atmospherically deposited Cd in soybean using a three-year fully factorial atmospheric exposure experiment incorporating Cd isotope analysis. Results shown that atmospheric deposition accounted for 1-13% of soil Cd pools, yet contributed 11-72% of Cd to soybean tissues during the growing seasons. Over the course of soil exposure to atmospheric deposition ranging from 1 to 3 years, no notable variations were observed in Cd concentrations in soil solutions and soybean tissues, nor in isotope ratios. Newly deposited Cd was a major source in soybean plants, and the bioavailability of deposited Cd rapidly aged in soils. Atmospheric Cd enriched in lighter isotopes induced negative isotope shifts in soybean plants. By employing an optimized isotope mixing model in conjunction with a mass balance approach, foliar Cd uptake contributed 13-51%, 16-45%, and 21-56% to stem, leaf, and seed, respectively. This study highlights substantial contribution of foliar uptake of atmospheric deposition to Cd levels in soybean and controlling foliar uptake as a potential strategy in agroecological systems experiencing high atmospheric Cd deposition.


Subject(s)
Cadmium , Glycine max , Glycine max/metabolism , Cadmium/metabolism , Soil/chemistry , Soil Pollutants/metabolism , Bioaccumulation , Isotopes
4.
Sci Adv ; 10(36): eado0403, 2024 Sep 06.
Article in English | MEDLINE | ID: mdl-39231223

ABSTRACT

The current standard method for amino acid signal identification in protein NMR spectra is sequential assignment using triple-resonance experiments. Good software and elaborate heuristics exist, but the process remains laboriously manual. Machine learning does help, but its training databases need millions of samples that cover all relevant physics and every kind of instrumental artifact. In this communication, we offer a solution to this problem. We propose polyadic decompositions to store millions of simulated three-dimensional NMR spectra, on-the-fly generation of artifacts during training, a probabilistic way to incorporate prior and posterior information, and integration with the industry standard CcpNmr software framework. The resulting neural nets take [1H,13C] slices of mixed pyruvate-labeled HNCA spectra (different CA signal shapes for different residue types) and return an amino acid probability table. In combination with primary sequence information, backbones of common proteins (GB1, MBP, and INMT) are rapidly assigned from just the HNCA spectrum.


Subject(s)
Proteins , Proteins/chemistry , Nuclear Magnetic Resonance, Biomolecular/methods , Software , Amino Acids/chemistry , Algorithms , Isotopes/chemistry , Machine Learning
5.
Environ Sci Pollut Res Int ; 31(40): 52688-52706, 2024 Aug.
Article in English | MEDLINE | ID: mdl-39190252

ABSTRACT

Excessive dense nonaqueous phase liquids (DNAPLs) in subsurface aquifers posed a threat to human health and sustainable development of groundwater resources. Accurately identifying the sources of DNAPLs is crucial for groundwater remediation and prevention efforts. In the previous studies, significant advances were made in using isotope techniques for identifying DNAPLs in groundwater. In this paper, we provide a comprehensive overview of the commonly used isotopic tools applied to source identification. This overview will outline the advantages and limitations of the isotope technique and describe the needs for future research. Isotope tracing techniques are based on the unique isotopic characteristics of DNAPLs from different sources, enabling the identification and differentiation of DNAPL sources. The δ13C and δ37Cl values are most commonly used for identifying DNAPLs in groundwater. In field applications, however, the differences in isotopic characteristics from diverse sources can be weakened after undergoing a series of human and natural factors, which can affect the accuracy of source identification. To improve the accuracy of DNAPL source identification, a dual-isotope tracing approach seems the best available solution. Nonetheless, in the face of complex polluted environments, the dual-isotope method seems stretched. Therefore, further researches remain to be carried out to accurately and efficiently assess the sources of DNAPLs in groundwater and their individual contributions. This is a prerequisite for groundwater resource conservation and remediation efforts.


Subject(s)
Environmental Monitoring , Groundwater , Groundwater/chemistry , Environmental Monitoring/methods , Water Pollutants, Chemical/analysis , Isotopes , Carbon Isotopes/analysis
6.
Magn Reson Med ; 92(6): 2631-2640, 2024 Dec.
Article in English | MEDLINE | ID: mdl-39119764

ABSTRACT

PURPOSE: The objective of the present work was to test the feasibility of in vivo imaging of hyperpolarized 50-nm silicon-29 (29Si) nanoparticles. METHODS: Commercially available, crystalline 50-nm nanoparticles were hyperpolarized using dynamic polarization transfer via the endogenous silicon oxide-silicon defects without the addition of exogenous radicals. Phantom experiments were used to quantify the effect of sample dissolution and various surface coating on T1 and T2 relaxation. The in vivo feasibility of detecting hyperpolarized silicon-29 was tested following intraperitoneal, intragastric, or intratumoral injection in mice and compared with the results obtained with previously reported, large, micrometer-size particles. The tissue clearance of SiNPs was quantified in various organs using inductively coupled plasma optical emission spectroscopy. RESULTS: In vivo images obtained after intragastric, intraperitoneal, and intratumoral injection compare favorably between small and large SiNPs. Improved distribution of small SiNPs was observed after intraperitoneal and intragastric injection as compared with micrometer-size SiNPs. Sufficient clearance of nanometer-size SiNPs using ex vivo tissue sample analysis was observed after 14 days following injection, indicating their safe use. CONCLUSION: In vivo MRI of hyperpolarized small 50-nm SiNPs is feasible with polarization levels and room-temperature relaxation times comparable to large micrometer-size particles.


Subject(s)
Magnetic Resonance Imaging , Nanoparticles , Silicon , Animals , Mice , Magnetic Resonance Imaging/methods , Silicon/chemistry , Nanoparticles/chemistry , Tissue Distribution , Contrast Media/chemistry , Isotopes/chemistry , Isotopes/pharmacokinetics , Phantoms, Imaging , Feasibility Studies
7.
Environ Geochem Health ; 46(10): 395, 2024 Aug 24.
Article in English | MEDLINE | ID: mdl-39180633

ABSTRACT

Dispersion of potentially toxic elements associated with efflorescent crusts and mine tailings materials from historical mine sites threaten the environment and human health. Limited research has been done on traceability from historical mining sites in arid and semi-arid regions. Pb isotope systematics was applied to decipher the importance of identifying the mixing of lead sources involved in forming efflorescent salts and the repercussions on traceability. This research assessed mine waste (sulfide-rich and oxide-rich tailings material and efflorescent salts) and street dust from surrounding settlements at a historical mining site in northwestern Mexico, focusing on Pb isotope composition. The isotope data of tailings materials defined a trending line (R2 = 0.9); the sulfide-rich tailings materials and respective efflorescent salts yielded less radiogenic Pb composition, whereas the oxide-rich tailings and respective efflorescent salts yielded relatively more radiogenic compositions, similar to the geogenic component. The isotope composition of street dust suggests the dispersion of tailings materials into the surroundings. This investigation found that the variability of Pb isotope composition in tailings materials because of the geochemical heterogeneity, ranging from less radiogenic to more radiogenic, can add complexity during environmental assessments because the composition of oxidized materials and efflorescent salts can mask the geogenic component, potentially underestimating the influence on the environmental media.


Subject(s)
Dust , Isotopes , Lead , Mining , Lead/analysis , Isotopes/analysis , Dust/analysis , Mexico , Environmental Monitoring , Soil Pollutants/analysis
8.
Environ Sci Technol ; 58(37): 16454-16464, 2024 Sep 17.
Article in English | MEDLINE | ID: mdl-39214627

ABSTRACT

Biogenic carbonates, including bivalve shells, record past environmental conditions, but their interpretation requires understanding environmental and biological factors that affect trace metal uptake. We examined stable barium (δ138Ba) and radiogenic strontium (87Sr/86Sr) isotope ratios in the aragonite shells of four native freshwater mussel species and two invasive species in five streams and assessed the effects of species identity, growth rate, and river water chemistry on shell isotopic composition. Shells were robust proxies for Sr, accurately reflecting 87Sr/86Sr ratios of river water, regardless of species or growth rate. In contrast, shell δ138Ba values, apart from invasive Corbicula fluminea, departed widely from those of river water and varied according to species and growth rate. Apparent fractionation between river water and the shell (Δ138Bashell-water) reached -0.86‰, the greatest offset observed for carbonate minerals. The shell deposited during slow growth periods was more enriched in lighter Ba isotopes than the rapidly deposited shell; thus, this phenomenon cannot be explained by aragonite precipitation kinetics. Instead, biological ion transport processes linked to growth rate may be largely responsible for Ba isotope variation. Our results provide information necessary to interpret water chemistry records preserved in shells and provide insights into biomineralization processes and bivalve biochemistry.


Subject(s)
Animal Shells , Barium , Bivalvia , Fresh Water , Strontium Isotopes , Animals , Animal Shells/chemistry , Fresh Water/chemistry , Strontium , Environmental Monitoring , Isotopes , Corbicula/metabolism
9.
Metallomics ; 16(9)2024 Sep 05.
Article in English | MEDLINE | ID: mdl-39217098

ABSTRACT

The Alzheimer's disease (AD)-affected brain purges K with concurrently increasing serum K, suggesting brain-blood K transferal. Here, natural stable K isotope ratios-δ41K-of human serum samples were characterized in an AD biomarker pilot study (plus two paired Li-heparin and potassium ethylenediaminetetraacetic acid [K-EDTA] plasma samples). AD serum was found to have a significantly lower mean δ41K relative to controls. To mechanistically explore this change, novel ab initio calculations (density functional theory) of relative K isotope compositions between hydrated K+ and organically bound K were performed, identifying hydrated K+ as isotopically light (lower δ41K) compared to organically bound K. Taken together with literature, serum δ41K and density functional theory results are consistent with efflux of hydrated K+ from the brain to the bloodstream, manifesting a measurable decrease in serum δ41K. These data introduce serum δ41K for further investigation as a minimally invasive AD biomarker, with cost, scalability, and stability advantages over current techniques.


Subject(s)
Alzheimer Disease , Biomarkers , Potassium , Alzheimer Disease/blood , Alzheimer Disease/metabolism , Humans , Biomarkers/blood , Potassium/blood , Aged , Male , Female , Isotopes/blood , Aged, 80 and over , Pilot Projects , Middle Aged
10.
Sci Total Environ ; 951: 175082, 2024 Nov 15.
Article in English | MEDLINE | ID: mdl-39097030

ABSTRACT

Lake Naivasha, Kenya's second-largest freshwater body is a wetland of international ecological importance and currently subjected to unprecedented anthropogenic influence. The study aims to chronologically reconstruct the main human activities and background weathering reactions that govern metal mobilizations into the lake and their potentially adverse effects on its ecological status. We combine extensive geochemical analyses (major, trace elements, Zn-Pb isotope ratios) in a dated lake sediment record and catchment rocks with remote sensing techniques. Downcore geochemical variations reflect natural ecosystem destabilizations occurring as early as the first half of the 20th century. These coincide with changes towards less radiogenic Pb-isotope values which persist towards the top of the core (206Pb/207Pb = 1.243 at core base ∼1843, to 206Pb/207Pb = 1.225 at ∼1978). We interpret the land-clearance for agricultural purposes on the Aberdare Range and documented early aviation activities as possible vectors of this early Pb-isotope excursion. The overlapping Pb-isotope signatures between sediment sources and anthropogenic contributions challenges a straightforward deconvolution of the two. Our conservative model calculations suggest, nevertheless, that an addition of up to ∼1.8 % Pb-gasoline influx to the total Pb flux, peaking in the 1980s is able to explain the Pb distribution trend. Homogeneous Zn-isotope compositions in sediments deposited until ∼1970s (δ66/64Zn = 0.216-0.225 ‰) do not follow major hydro-climatic events or anthropogenic forcing but likely reflect lake-specific natural cycling. Subsequent higher variations to both heavier (up to δ66/64Zn = 0.242 ± 0.005 ‰) and lighter (down to δ66/64Zn = 0.184 ± 0.003 ‰) Zn-isotope values are contemporaneous with intensification of large-scale horticultural industry in the catchment. Together with supporting indicators, the lighter Zn-isotope compositions in youngest analysed sediments (21st century) are attributable to increased biological productivity (algal blooms) and ongoing lake eutrophication. Our study demonstrates the applicability of the heavy metal isotope tool to reconstruct human influences on lake environments with complex geological settings such as the East African Rift System.


Subject(s)
Environmental Monitoring , Lakes , Trace Elements , Water Pollutants, Chemical , Lakes/chemistry , Kenya , Water Pollutants, Chemical/analysis , Trace Elements/analysis , Geologic Sediments/chemistry , Metals/analysis , Isotopes/analysis
11.
J Water Health ; 22(8): 1372-1386, 2024 Aug.
Article in English | MEDLINE | ID: mdl-39212276

ABSTRACT

The neutron activation of stable isotopes in environmental matrices, such as soil and groundwater, is a critical aspect of assessing the impact of radionuclide production facilities on the surrounding ecosystem. The envisioned Low-Energy Radioactive Ion Beams (LERIB) facility at the iThemba LABS, South Africa is anticipated to generate significant sources of ionising radiation. The study investigated the possible repercussions of neutron irradiation stemming from the facility, focusing on the activation of stable isotopic compositions in the environment. The investigation employed a combination of experimental and analytical techniques to characterize the neutron activation products in soil and groundwater samples collected from the vicinity. Samples were collected from designated areas for background radiological measurements and were irradiated with neutrons for a period of 1 h. The induced radioactivity measured by the High Purity Germanium detector included 24Na, 22Na, 54Mn, 52Mn, and 46Sc. The application of Darcy's law for groundwater velocity suggests that radionuclides in groundwater will migrate at an average flow velocity of 0.8 m/day. The isotopes with longer half-lives have count rates at background concentrations; therefore, environmental impacts on the site and surrounding communities might be minimal.


Subject(s)
Groundwater , Radiation Monitoring , Water Pollutants, Radioactive , Groundwater/chemistry , Groundwater/analysis , South Africa , Water Pollutants, Radioactive/analysis , Radiation Monitoring/methods , Soil/chemistry , Soil Pollutants, Radioactive/analysis , Radioisotopes/analysis , Neutron Activation Analysis , Neutrons , Isotopes/analysis
12.
J Water Health ; 22(8): 1444-1471, 2024 Aug.
Article in English | MEDLINE | ID: mdl-39212281

ABSTRACT

The study area covers the Banaz (Usak) basin located in the Aegean Region in the western part of Turkey. Metamorphic, sedimentary, ultramafic, and volcanic rocks are dominant in the basin. The groundwaters in the study area are used for domestic, irrigational, and industrial purposes. Hence, the groundwater chemistry and major geochemical processes in the region were determined. The dominance of major elements was of the order of Ca2+ > Mg2+ > Na+ > K+ and HCO3- > CO3- > Cl- > SO42-. Piper, Durov, Chadha, and Radial plots identified generally Ca2+-Mg2+-HCO3- type waters as the dominant types of water in this area. In terms of physical parameters in the basin, the waters are suitable for drinking. However, arsenic content in Yesilyurt and Corum settlements exceeds the limit values of drinking water standards. In addition, the ammonium value is high in the water sample in the Corum region. Isotope contents in water samples from 2008 to 2023 were evaluated in the study area. The waters in the basin are of meteoric origin according to their stable isotope content. Tritium content in the plain waters indicates recent recharge. Additionally, for children, As and U elements were identified as risky with oral intake and As with dermal contact.


Subject(s)
Drinking Water , Environmental Monitoring , Groundwater , Water Pollutants, Chemical , Turkey , Groundwater/chemistry , Groundwater/analysis , Water Pollutants, Chemical/analysis , Environmental Monitoring/methods , Drinking Water/chemistry , Drinking Water/analysis , Humans , Risk Assessment , Isotopes/analysis , Arsenic/analysis
13.
New Phytol ; 244(1): 21-31, 2024 Oct.
Article in English | MEDLINE | ID: mdl-39021246

ABSTRACT

Even though they share many thematical overlaps, plant metabolomics and stable isotope ecology have been rather separate fields mainly due to different mass spectrometry demands. New high-resolution bioanalytical mass spectrometers are now not only offering high-throughput metabolite identification but are also suitable for compound- and intramolecular position-specific isotope analysis in the natural isotope abundance range. In plant metabolomics, label-free metabolic pathway and metabolic flux analysis might become possible when applying this new technology. This is because changes in the commitment of substrates to particular metabolic pathways and the activation or deactivation of others alter enzyme-specific isotope effects. This leads to differences in intramolecular and compound-specific isotope compositions. In plant isotope ecology, position-specific isotope analysis in plant archives informed by metabolic pathway analysis could be used to reconstruct and separate environmental impacts on complex metabolic processes. A technology-driven linkage between the two disciplines could allow us to extract information on environment-metabolism interaction from plant archives such as tree rings but also within ecosystems. This would contribute to a holistic understanding of how plants react to environmental drivers, thus also providing helpful information on the trajectories of the vegetation under the conditions to come.


Subject(s)
Ecology , Metabolic Flux Analysis , Metabolomics , Plants , Metabolomics/methods , Plants/metabolism , Metabolic Flux Analysis/methods , Isotopes/metabolism , Archives , Ecosystem , Isotope Labeling/methods
14.
Environ Sci Technol ; 58(39): 17283-17294, 2024 Oct 01.
Article in English | MEDLINE | ID: mdl-39066705

ABSTRACT

Biogeochemical processes of atmospherically deposited cadmium (Cd) in soils and accumulation in rice were investigated through a three-year fully factorial atmospheric exposure experiment using Cd stable isotopes and diffusive gradients in thin films (DGT). Our results showed that approximately 37-79% of Cd in rice grains was contributed by atmospheric deposition through root and foliar uptake during the rice growing season, while the deposited Cd accounted for a small proportion of the soil pools. The highly bioavailable metals in atmospheric deposition significantly increased the soil DGT-measured bioavailable fraction; yet, this fraction rapidly aged following a first-order exponential decay model, leading to similar percentages of the bioavailable fraction in soils exposed for 1-3 years. The enrichment of light Cd isotopes in the atmospheric deposition resulted in a significant shift toward lighter Cd isotopes in rice plants. Using a modified isotopic mass balance model, foliar and root uptake of deposited Cd accounted for 47-51% and 28-36% in leaves, 41-45% and 22-30% in stems, and 45-49% and 26-30% in grains, respectively. The implications of this study are that new atmospheric deposition disproportionately contributes to the uptake of Cd in rice, and managing emissions thus becomes very important versus remediation of impacted soils.


Subject(s)
Cadmium , Oryza , Soil Pollutants , Soil , Oryza/metabolism , Cadmium/metabolism , Soil Pollutants/metabolism , Soil/chemistry , Isotopes
15.
J Hazard Mater ; 477: 135321, 2024 Sep 15.
Article in English | MEDLINE | ID: mdl-39068886

ABSTRACT

Rice consumption is a major pathway for human cadmium (Cd) exposure. Understanding Cd behavior in the soil-rice system, especially under field conditions, is pivotal for controlling Cd accumulation. This study analyzed Cd concentrations and isotope compositions (δ114/110Cd) in rice plants and surface soil sampled at different times, along with urinary Cd of residents from typical Cd-contaminated paddy fields in Youxian, Hunan, China. Soil water-soluble Cd concentrations varied across sampling times, with δ114/110Cdwater lighter under drained than flooded conditions, suggesting supplementation of water-soluble Cd by isotopically lighter Cd pools, increasing Cd phytoavailability. Both water-soluble Cd and atmospheric deposition contributed to rice Cd accumulation. Water-soluble Cd's contribution increased from 28-52% under flooded to 58-87% under drained conditions due to increased soil Cd phytoavailability. Atmospheric deposition's contribution (12-72%) increased with potential atmospheric deposition flux among sampling areas. The enrichment of heavy Cd isotopes occurred from root-stem-grain to prevent rice Cd accumulation. The different extent of enrichment of heavy isotopes in urine indicated different Cd exposure sources. These findings provide valuable insights into the speciation and phytoavailability changes of Cd in the soil-rice system and highlight the potential application of Cd isotopic fingerprinting in understanding the environmental fate of Cd.


Subject(s)
Cadmium , Oryza , Soil Pollutants , Oryza/metabolism , Oryza/chemistry , Cadmium/analysis , Cadmium/metabolism , Soil Pollutants/metabolism , Soil Pollutants/analysis , China , Soil/chemistry , Humans , Isotopes , Plant Roots/metabolism , Plant Roots/chemistry , Environmental Monitoring , Chemical Fractionation
16.
Anal Chem ; 96(31): 12602-12615, 2024 08 06.
Article in English | MEDLINE | ID: mdl-39037184

ABSTRACT

The aim of deconvolution of top-down mass spectra is to recognize monoisotopic peaks from the experimental envelopes in raw mass spectra. So accurate assessment of similarity between theoretical and experimental envelopes is a critical step in mass spectra data deconvolution. Existing evaluation methods primarily rely on intensity differences and m/z similarity, potentially lacking a comprehensive assessment. To overcome this constraint and facilitate a comprehensive and refined assessment of the similarity between theoretical and experimental envelopes, there exists an imperative to systematically explore and identify increasingly efficacious features for assessing this correspondence. We present enhanced feature representation for isotopic envelope evaluation (FREE) that derives diverse feature representations, encapsulating fundamental physical attributes of envelopes, including peak intensity and envelope shape. We trained FREE and evaluated its performance on both the ovarian tumor (OT) (human OT cells) data set and zebrafish (ZF) (brain in mature female ZF) data set. Specifically, comparing the state-of-art method, FREE demonstrates higher performance in multiple evaluation metrics across both the OT and ZF data sets, with a particular emphasis on precision, and it demonstrates accurate predictions of a greater number of positive envelopes among the top-ranked envelopes based on their scores. Moreover, within a cross-species data set of ZF, FREE identified a higher number of proteoform-spectrum matches (PrSMs), increasing the count from 50,795 to 52,927 compared to EnvCNN, the amalgamation of FREE with TopFD also exhibits a commendable capacity to discern 117,883 fragment ions, thus surpassing the 97,554 fragment ions identified through the application of EnvCNN in conjunction with TopFD. To further validate the performance of FREE, we have tested 10 a cross-species top-down proteomes containing 36 subdata set from ProteomeXchange. The results reveal that, after deconvolution with TopFD + FREE, TopPIC identifies more PrSMs across these 10 data sets in both the first and second rounds of experiments. These findings underscore the robustness and generalization capabilities of the FREE approach in diverse proteomes.


Subject(s)
Mass Spectrometry , Zebrafish , Animals , Humans , Mass Spectrometry/methods , Female , Ovarian Neoplasms/pathology , Isotopes/analysis
17.
Environ Sci Pollut Res Int ; 31(34): 47022-47038, 2024 Jul.
Article in English | MEDLINE | ID: mdl-38985423

ABSTRACT

Urban horticulture poses a sustainable form of food production, fosters community engagement and mitigates the impacts of climate change on cities. Yet, it can also be tied to health challenges related to soil contamination. This work builds on a previous study conducted on eleven urban gardens in the city of Vienna, Austria. Following the findings of elevated Pb levels in some soil and plant samples within that project, the present study investigates the elemental composition of soil and plants from two affected gardens 1 year after compost amendment. Inductively coupled plasma mass spectrometry (ICP-MS) analysis of skin, pulp and seeds of tomato fruits revealed minor variations in elemental composition which are unlikely to have an impact on food safety. In turn, a tendency of contaminant accumulation in root tips and leaves of radishes was found. Washing of lettuce led to a significant reduction in the contents of potentially toxic elements such as Be, Al, V, Ni, Ga and Tl, underscoring the significance of washing garden products before consumption. Furthermore, compost amendments led to promising results, with reduced Zn, Cd and Pb levels in radish bulbs. Pb isotope ratios in soil and spinach leaf samples taken in the previous study were assessed by multi-collector (MC-) ICP-MS to trace Pb uptake from soils into food. A direct linkage between the Pb isotopic signatures in soil and those in spinach leaves was observed, underscoring their effectiveness as tracers of Pb sources in the environment.


Subject(s)
Composting , Soil Pollutants , Soil , Vegetables , Soil Pollutants/analysis , Soil/chemistry , Vegetables/chemistry , Gardens , Austria , Environmental Monitoring , Cities , Isotopes/analysis
18.
Environ Sci Technol ; 58(28): 12674-12684, 2024 Jul 16.
Article in English | MEDLINE | ID: mdl-38965983

ABSTRACT

Although natural attenuation is an economic remediation strategy for uranium (U) contamination, the role of organic molecules in driving U natural attenuation in postmining aquifers is not well-understood. Groundwaters were sampled to investigate the chemical, isotopic, and dissolved organic matter (DOM) compositions and their relationships to U natural attenuation from production wells and postmining wells in a typical U deposit (the Qianjiadian U deposit) mined by neutral in situ leaching. Results showed that Fe(II) concentrations and δ34SSO4 and δ18OSO4 values increased, but U concentrations decreased significantly from production wells to postmining wells, indicating that Fe(III) reduction and sulfate reduction were the predominant processes contributing to U natural attenuation. Microbial humic-like and protein-like components mediated the reduction of Fe(III) and sulfate, respectively. Organic molecules with H/C > 1.5 were conducive to microbe-mediated reduction of Fe(III) and sulfate and facilitated the natural attenuation of dissolved U. The average U attenuation rate was -1.07 mg/L/yr, with which the U-contaminated groundwater would be naturally attenuated in approximately 11.2 years. The study highlights the specific organic molecules regulating the natural attenuation of groundwater U via the reduction of Fe(III) and sulfate.


Subject(s)
Groundwater , Mining , Uranium , Water Pollutants, Radioactive , Groundwater/chemistry , Water Pollutants, Radioactive/analysis , Organic Chemicals , Isotopes , Biodegradation, Environmental , Sulfates
19.
J Environ Sci (China) ; 146: 298-303, 2024 Dec.
Article in English | MEDLINE | ID: mdl-38969458

ABSTRACT

Antibiotics, their transformation products, and the translocation of antibiotic-resistant genes in the environment pose significant health risks to humans, animals, and ecosystems, aligning with the One Health concept. Constructed wetlands hold substantial yet underutilized potential for treating wastewater from agricultural, domestic sewage, or contaminated effluents from wastewater treatment plants, with the goal of eliminating antibiotics. However, the comprehensive understanding of the distribution, persistence, and dissipation processes of antibiotics within constructed wetlands remains largely unexplored. In this context, we provide an overview of the current application of stable isotope analysis at natural abundance to antibiotics. We explore the opportunities of an advanced multiple stable isotope approach, where isotope concepts could be effectively applied to examine the fate of antibiotics in wetlands. The development of a conceptual framework to study antibiotics in wetlands using multi-element stable isotopes introduces a new paradigm, offering enhanced insights into the identification and quantification of natural attenuation of antibiotics within wetland systems. This perspective has the potential to inspire the general public, governmental bodies, and the broader research community, fostering an emphasis on the utilization of stable isotope analysis for studying antibiotics and other emerging micropollutants in wetland systems.


Subject(s)
Anti-Bacterial Agents , Environmental Monitoring , Water Pollutants, Chemical , Wetlands , Anti-Bacterial Agents/analysis , Water Pollutants, Chemical/analysis , Waste Disposal, Fluid/methods , Wastewater/chemistry , Isotopes/analysis
20.
Ecotoxicol Environ Saf ; 283: 116770, 2024 Sep 15.
Article in English | MEDLINE | ID: mdl-39067077

ABSTRACT

Isotope technology is an ideal tool for tracing the sources of certain pollutants or providing insights into environmental processes. In recent years, the advent of multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) has enabled the precise measurement of various metal stable isotopes. Due to the presence of "fingerprint" properties in various environmental samples, metal stable isotopes have been applied to distinguish the source of contaminants effectively and further understand the corresponding environmental processes. The environmental fate of metal elements is strongly controlled by adsorption, an essential process for the distribution of elements between the dissolved and particulate phases. The adsorption of metal elements on mineral and organic surfaces significantly affects their biogeochemical cycles in the environment. Therefore, it is crucial to elucidate the fractionation characteristics of stable metal isotopes during the adsorption process. In this review, three typical transitional metal elements were selected, considering Mo as the representative of anionic species and Fe and Zn as the representative of cationic species. For Mo, the heavier Mo isotope is preferentially adsorbed in the solution phase, pH has a more significant influence on isotope fractionation, and temperature and ionic strength are relatively insensitive. Differences in coordination environments between dissolved and adsorbed Mo during adsorption, i.e., attachment mode (inner- or outer-sphere) or molecular symmetry (e.g., coordination number and magnitude of distortion), are likely responsible for isotopic fractionation. For Fe, The study of equilibrium/kinetic Fe isotopic fractionation in aqueous Fe(II)-mineral is not simple. The interaction between aqueous Fe(II) and Fe (hydroxyl) oxides is complex and dynamic. The isotope effect is due to coupled electron and atom exchange between adsorbed Fe(II), aqueous Fe(II), and reactive Fe(III) on the surface of Fe (hydroxyl) oxide. For Zn, the heavier Fe isotope preferentially adsorbs on the solid phase, and pH and ionic strength are essential influencing factors. The difference in coordination environment may be the cause of isotope fractionation.


Subject(s)
Chemical Fractionation , Isotopes , Metals , Adsorption , Chemical Fractionation/methods , Metals/chemistry , Metals/analysis , Environmental Monitoring/methods , Hydrogen-Ion Concentration , Environmental Pollutants/chemistry , Environmental Pollutants/analysis
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