Characterization Of Organic Matter Research Articles

Molecular Structural Characteristics and 3D Model Reconstruction of Organic Matter in Longmaxi Formation Shale.

The establishment of molecular structure modeling is an important means to study the pore characteristics of shale organic matter and is significant for molecular-level simulations of gas storage and diffusion. Using 13C NMR, FTIR, and XPS combined with the split-peak fitting technique, the structural characteristics of the aromatic structure, aliphatic structure, and oxygen functional groups of kerogen from the shale of the Longmaxi Formation, Wuxi County, Chongqing Municipality, were quantitatively characterized. A macromolecular structure model of the kerogen was also constructed by using the 2D macromolecular structure model construction method in combination with elemental analysis experiments. The results showed that the 2D single-molecule structural model of the sample consisted of 2 benzenes, 2 naphthalenes, 1 anthracene, 5 pyrenes, 1 pyridine, and 1 pyrrole. The C skeleton types were 93 protonated arylons, 39 bridged arylons, 6 carboxylons, 5 alkyl-substituted carbons, 2 oxygen-substituted carbons, 4 methylene carbons, and 3 methylons. The established 2D molecular structure formula was C152H82O12N2. The final 3D macromolecular structure model consisted of 14 2D molecular structures (structural formula C2128H1148O168N28), with the density set to 1.77 cm3/g, compressed in a cubic cell with an edge length of 3.05 nm. Finally, the adsorption results showed that the experimental adsorption of CO2 adsorption was less than the simulated adsorption, completing the validation of the model. The above study provides a method for determining the molecular structure of kerogen in the Longmaxi Formation shale, which can guide the study of the pore structure characteristics of the Longmaxi Formation shale.

Spatial distribution characteristics of soil organic matter in different land uses and its coupling with soil animals in the plateau basin in the South China Karst basin

Spatial distribution characteristics of soil organic matter in different land uses and its coupling with soil animals in the plateau basin in the South China Karst basin

Soil Microbial Community in 47 Chinese Forest Sites: Biogeographic Patterns and Links With Soil Dissolved Organic Matter

AbstractSoils in forested ecosystems are extremely heterogeneous and represent a critical component of terrestrial ecosystems. Despite their substantial ecological value, the geographic characteristics, ecological processes, and coexistence of microbial communities in forest soils remain poorly understood. Here, we investigated the biodiversity dynamics, environmental influences, community assembly, and co‐occurrence patterns of bacterial and fungal communities in surface and subsurface soils across 47 Chinese forest sites. The biogeographic characteristics determined using high‐throughput sequencing data sets revealed evident spatial patterns of bacterial and fungal α and β diversity, assembly processes, and co‐occurrence relationship, with greater variation in the bacterial than in fungal communities. Both fungal and bacterial communities showed significant spatial separations regulated by community assembly processes, co‐occurrence patterns, and soil variables. The microbial dissimilarity was lower in high latitudes than in low latitudes, which was consistent with the lower deterministic processes and relatively higher co‐occurrence associations in high latitudes than in low latitudes. Additionally, there were significant associations of soil dissolved organic matter (DOM) characteristics (e.g., its content, aromaticity, and molecular weight) with biodiversity dissimilarities, microbial assembly process balances, and microbial co‐occurrence relationships in bacterial and fungal communities; they clearly indicate the key role of DOM in regulating microbial biogeographic patterns in forest soil ecosystems. Collectively, our study enhances the understanding of biogeographic patterns and coexistence theories in forest soil microbial ecosystems.

Quantifying particulate organic matter: source composition and fluxes at the river-estuary interface

Particulate organic matter (POM) characteristics and variability have been widely studied along the land-ocean aquatic continuum, yet, gaps remain in quantifying its source composition, fluxes, and dynamics at the river-estuary interface. POM in rivers consists of a complex mixture of sources, derived both from locally produced (i.e. phytoplankton) and from adjacent ecosystems (e.g. terrestrial POM). Each source differ in its trophic and biogeochemical characteristics, hence impacting its integration into local food webs, its transfer to estuaries and sea, and its contribution to biogeochemical processes. In this study, we use a robust approach based on in situ POM to characterize river POM end-members, to quantify POM composition and dynamics, and to identify the related key drivers. This study was performed at the River-Estuary interface of one of the main rivers in Western Europe (the Loire River, France). For 3 years, we conducted bimonthly measurements of carbon and nitrogen isotopic (δ13C, δ15N) and elemental (C/N) ratios to quantify the contribution of two sources (phytoplankton and terrestrial POM) to the POM mixture and calculated annual fluxes of particulate organic carbon (POC) and nitrogen (PN) sources. Throughout the year, POM consisted of ~65% phytoplankton and 35% terrestrial POM. The mean annual export fluxes were 40.6 tPOC/year and 2.45 tPN/year over the studied period, with half of it originating from phytoplankton (53 and 55% for POC and PN, respectively). We observed a clear seasonal pattern in POM composition: phytoplankton predominated from March to October, in relation to high primary production, while terrestrial contributions were the highest from November to February, driven by greater autumn-winter hydrodynamics. Our study illustrate the interest of such an approach to quantify POM composition in aquatic system and estimate source fluxes, and provide fundamental results for estimating seasonal baselines in food webs, establishing biogeochemical budgets, and quantifying POM exports to estuarine and marine environments. Applying this methodology across a broad spectrum of aquatic systems should enhance our understanding of biogeochemical processes and organic matter transformation along the land-ocean continuum and illustrates the contribution of these ecosystems to global biogeochemical cycles.

Fe(III)-mediated changes in microalgae-associated bacterial communities and dissolved organic matter characteristics: A case study for Chlorococcum sp. GD

Trivalent iron ions (Fe(III)) have important effects on aquatic ecosystems, especially on the functional diversity and stability of microorganisms and ecosystems. Here, a cultivable microalgae (Chlorococcum sp. GD) from the natural environment (Shanxi, China) were isolated and identified. A combined high-throughput 16S rRNA gene amplicon sequencing/excitation-emission matrix coupled with parallel factor (EEM-PARAFAC) analysis was used to integrated the results of Fe(III) influence on Chlorococcum sp. GD bacterial community and dissolved organic matter (DOM) characteristics through laboratory experiments. Due to the addition of Fe(III) in the form of ferric nitrate (Fe(NO3)3·9H2O), complexed with EDTA to maintain solubility and bioavailability, the bacterial community was altered. This led to a decrease in the relative abundance of Proteobacteria and Actinobacteria and an increase in the relative abundance of Cyanobacteria, especially under excessive Fe(III) treatment. In addition, the relative contribution of bacterial community dispersal limitation and homogenizing dispersal was 100 %, which may lead to differences in their local adaptation and ecological processes with homogenization of bacterial diversity and loss of function. Excessive Fe(III) caused a significant increase in the abundance of genes involved in the carbon cycle (p < 0.01) and a significant decrease in genes involved in the nitrogen cycle (p < 0.01), further affecting the overall regulatory network of gene expression. This led to an increase in the abundance of genes involved in metabolism, cellular processes, environmental information processing, genetic information processing, and human diseases. The moderate amount of Fe(III) promoted the production of microbial components and accelerated the degree of DOM humification. It is also worth mentioning that excessive Fe(III) inhibited DOM degradation. Overall, this work explored the characteristics of bacterial community and DOM changes in Fe(III)-stressed Chlorococcum sp. GD as an example, which contributes to an in-depth understanding of microbial community diversity and element cycling in aquatic ecosystems.

Improved Characterization of Soil Organic Matter by Integrating FT-ICR MS, Liquid Chromatography Tandem Mass Spectrometry, and Molecular Networking: A Case Study of Root Litter Decay under Drought Conditions.

Understanding of how soil organic matter (SOM) chemistry is altered in a changing climate has advanced considerably; however, most SOM components remain unidentified, impeding the ability to characterize a major fraction of organic matter and predict what types of molecules, and from which sources, will persist in soil. We present a novel approach to better characterize SOM extracts by integrating information from three types of analyses, and we deploy this method to characterize decaying root-detritus soil microcosms subjected to either drought or normal conditions. To observe broad differences in composition, we employed direct infusion Fourier-transform ion cyclotron resonance mass spectrometry (DI-FT-ICR MS). We complemented this with liquid chromatography tandem mass spectrometry (LC-MS/MS) to identify components by library matching. Since libraries contain only a small fraction of SOM components, we also used fragment spectral cosine similarity scores to relate unknowns and library matches through molecular networks. This integrated approach allowed us to corroborate DI-FT-ICR MS molecular formulas using library matches, which included fungal metabolites and related polyphenolic compounds. We also inferred structures of unknowns from molecular networks and improved LC-MS/MS annotation rates from ∼5 to 35% by considering DI-FT-ICR MS molecular formula assignments. Under drought conditions, we found greater relative amounts of lignin-like vs condensed aromatic polyphenol formulas and lower average nominal oxidation state of carbon, suggesting reduced decomposition of SOM and/or microbes under stress. Our integrated approach provides a framework for enhanced annotation of SOM components that is more comprehensive than performing individual data analyses in parallel.

Unravelling the thermodynamic properties of soil ecosystems in mature beech forests

Thermodynamics is a vast area of knowledge with a debatable role in explaining the evolution of ecosystems. In the case of soil ecosystems, this role is still unclear due to difficulties in determining the thermodynamic functions that are involved in the survival and evolution of soils as living systems. The existing knowledge is largely based on theoretical approaches and has never been applied to soils using thermodynamic functions that have been experimentally determined. In this study, we present a method for the complete experimental thermodynamic characterization of soil organic matter. This method quantifies all the thermodynamic functions for combustion and formation reactions which are involved in the thermodynamic principles governing the evolution of the universe. We applied them to track the progress of soil organic matter with soil depth in mature beech forests. Our results show that soil organic matter evolves to a higher degree of reduction as it is mineralized, yielding products with lower carbon but higher energy content than the original organic matter used as reference. These products have higher entropy than the original one, demonstrating how the soil ecosystem evolves with depth, in accordance with the second law of thermodynamics. The results were sensitive to soil organic matter transformation in forests under different management, indicating potential applicability in elucidating the energy strategies for evolution and survival of soil systems as well as in settling their evolutionary states.

Unraveling the impact of Spartina alterniflora invasion on greenhouse gas production and emissions in coastal saltmarshes: New insights from dissolved organic matter characteristics and surface-porewater interactions

Saltmarshes along the Chinese coast are threatened by the invasion of Spartina alterniflora (S. alterniflora). This study was carried out in the Andong Shoal, Hangzhou Bay, China, with the aim of comprehending the intricate impacts of S. alterniflora invasion on greenhouse gases (GHG) production and emissions. To address this issue, we thoroughly examined the chemistry of dissolved organic matter (DOM) and the rate of surface water-porewater interaction. Porewater and surface water samples were collected from farm land, S. alterniflora invaded areas, and Scirpus mariqueter (S. mariqueter) dominated areas. The findings indicated that the invasion of S. alterniflora impeded the interaction between surface water and porewater, resulting in reduced porewater exchange rates within its affected region (0.015–0.440 cm d−1), in contrast to areas dominated by S. mariqueter (9.635–18.232 cm d−1). The invasion also increased dissolved organic carbon concentration in porewater and created a stable and closed soil environment that resulted in DOM with smaller molecule sizes and higher humification levels. The presence of high tryptophan-like fluorescent DOM caused an increase in the production of methane and carbon dioxide in S. alterniflora invaded area. However, both limited surface-porewater exchange and significant differences in GHG concentrations between porewater and surface water suggested that the aerenchyma tissues of S. alterniflora may play an important role in transporting GHG from soil to the atmosphere.

Shale gas‐bearing capacity and its controlling factors of Wufeng–Longmaxi formations in northern Guizhou, China

Great progress has been made in marine shale gas of Wufeng–Longmaxi formations in the Sichuan Basin. However, shale gas exploration in the complex structural belt around the Sichuan Basin still faces great challenges. In this study, shales of Wufeng–Longmaxi formations collected from the northern Guizhou were taken as the studied target, organic matter (OM) characteristics, mineral composition, pore structure, methane adsorption capacity and in situ desorption gas content were measured, and the controlling factors of shale gas content were further discussed. The results indicated that the sedimentary facies of Wufeng–Longmaxi formations in north Guizhou varies from shallow‐water shelf facies to deep‐water shelf facies from south to north, and organic‐rich shales are primarily distributed in Daozhen‐Xishui areas, with a maximum thickness of about 80–100 m. Organic‐rich shales are characterized by high total organic carbon (TOC) content, high thermal maturation and type I–II1 kerogens, which can be comparable with those in commercially produced shale gas field in Sichuan Basin. High‐quality shale gas reservoirs generally have a high content of brittle minerals, making them easier to be fractured. OM pores are the dominanted pore type in the studied shales, followed by intergranular pores associated with brittle minerals, dissolution pores within carbonate grains and microcracks, while clay mineral‐related pores are poorly developed. The Wufeng–Longmaxi Formation shales generally have strong methane adsorption capacities, but these vary greatly across different areas. Shale gas adsorption capacity is primarily controlled by TOC content and thermal maturation level. Similarly, total gas content, including desorption gas and lost gas, varies greatly in different areas, and it is obviously lower than that in Fuling and Luzhou shale gas field, due to the loss of shale gas and low‐pressure coefficient in the complex structural zone. It is worth explaining that shale gas is not always low in northern Guizhou, which is determined by burial depth and the distance of great fractures. Shale gas content is relatively high in LY1 well and DY1 well in Xishui‐Daozhen area, and it is extremely low in TY1 well and AY1 well in Tongzi‐Zheng'an area. Shale gas content in the same structural unit is primarily influenced by TOC content, OM pore development degree and water saturation. However, different structural units have different shale gas contents, due to the differences in preservation conditions. Shale reservoirs with good preservation conditions, that is, wide and gentle structure, far from a large fault and great burial depth, generally have high shale gas contents.

Pre-hispanic wetland irrigation and metallurgy in the South Andean Altiplano (Intersalar Region, Bolivia, XIVth and XVth century CE)

The high-altitude Andean Altiplano has been subject to abrupt climate changes during the Holocene. The resulting impact on the hydrological cycle has obliged ancient societies to adapt and develop strategies to face droughts and sustain agropastoral activities. Here, we present the results of archaeological prospections together with the biogeochemical characterization of a well-dated core collected at Saitoco wetland in the arid southern Altiplano (Intersalar Region, Bolivia). Archaeological survey allowed the mapping of a network of channels collecting water from the surrounding mountains to the wetland, and the presence of small copper mines and metallurgical installations. Traces and major element concentrations and accumulation rates, together with elemental and isotopic characterization of organic matter (OM) (i.e., Corg and δ13Corg) in the wetland core have been used to document the evolution of the landscape in relation to climatic and anthropogenic pressure. While OM, bromine (Br), selenium (Se) and mercury (Hg) data were used to assess the variability of precipitations during the Late Holocene (4.2 ka BP to the present), local and regional mining activities have been reconstructed through the variations of lead (Pb), copper (Cu), and antimony (Sb). Our results show an abrupt change in OM composition during the 14th and 15th century CE, characterized by an abrupt shift in δ13Corg synchronous with a rise in Br, Se and Hg, testifying for the waterlogging of the wetland during a known arid period in the region. This change is attributed to anthropogenic transformation of the landscape through the irrigation of the wetland by channeling streams from the surrounding mountains. At the same time, a mining pollution signal was recorded supporting local Cu mining and metallurgy. The mining signal then reached its maximum values during the Inca and Colonial periods, which matches with reported enhanced mining activities in the region. From the colonial era onward, the wetland progressively dried up, likely resulting from the abandonment of the site. Through the combination of a biogeochemical record and archaeological prospections, this study provides evidences that societies of the arid Intersalar region have transformed their landscape and developed wetland irrigation and mining during the arid 14th and 15th century CE Period.

Organic matter characteristics and hydrocarbon generation potential of the Middle Jurassic–Lower Cretaceous succession in the Mesopotamian Foredeep Basin, Iraq

Organic matter characteristics and hydrocarbon generation potential of the Middle Jurassic–Lower Cretaceous succession in the Mesopotamian Foredeep Basin, Iraq

Impact of deforestation on the hydrogen, oxygen and iron isotope compositions of Amazonian streams

We examined the consequences of deforestation and pasture establishment on H, O and Fe isotope cycling in the hydrosphere, with focus on small watersheds from the central and eastern part of Brazilian Amazonia. The δ18O- δD relationships in stream water samples show that the evaporation effect is greater in pasture than in forest, thereby highlighting the impact of deforestation on atmospheric water circulation and rainfall.A clear effect of deforestation was also found on the dissolved load of these streams. Water temperature, pH, conductivity, major cations and dissolved carbon organic content are lower in forest streams compared to those from deforested areas. Dissolved (i.e., filtrate <0.45 μm) iron concentrations are typically higher in these tropical forest streams. They also show δ57Fe signatures commonly higher than that of the continental crust (i.e., > 0.1‰). In these black waters enriched in organic matter, the heavier iron isotope composition in the forested areas is related to the oxidized Fe strongly bound to colloidal organic matter. On the other hand, dissolved iron from streams draining older deforested areas shows isotopic compositions usually lighter than the continental crust (δ57Fe < 0.1‰). The negative δ57Fe signatures of these areas are likely caused by deforestation involving erosion and rejuvenation of soils in valleys, which leads to the occurrence of a partial iron reduction in the soils. These modifications increased the proportion of isotopically light, dissolved and more reduced Fe in the streams.Those effects are less obvious on more recent pastures since they display more chemical and isotopic scatter along the sampling months. In a stream flowing through an area undergoing slash and burned deforestation within the year, dissolved iron concentrations and isotopic compositions are much more scattered, with δ57Fe values varying by >10 ‰ as a result of fire or heavy rain events. This likely depicts the disruption of the iron cycling in the water-soil-plant system with strong changes in the soil mineralogy, organic matter characteristics and biomass activity resulting from the forest fire. Our results suggest that more than a decade is needed to reach a new dynamic steady state of the Fe biogeochemical cycle in pastures.Hence, the contrasted Fe isotopic compositions between the streams draining pristine tropical forests and those from deforested areas indicate that, like H and O isotopes, Fe isotopes are a sensitive indicator of the transformations affecting the biogeochemical cycling of tropical environment in response to deforestation. However, in contrast to hydrogen and oxygen isotopes that reveal the exchanges between surface waters and atmosphere, iron isotopes rather highlight the physical-chemical reactions occurring between surface waters and the soils, but with the biomass mediation for all three isotopic tracers.

Evaluation of characterization and adsorption kinetics of natural organic matter onto nitric acid modified activated carbon

Natural organic substances (NOM) found in drinking water are a major contributor to disinfectant by-product formation and are potentially toxic to humans. Traditional water treatment techniques may not always effectively treat NOMs. Therefore, an advanced treatment method such as adsorption can be inexpensive, simple and efficient. The selected adsorbent's and the NOMs properties both affect the removal effectiveness of the adsorption method. Activated carbon (AC), which is widely used in real-scale water treatment plants, has been modified and used in recent years In order to oxidize the porous carbon surface, raise its acidic qualities, eliminate mineral components, and enhance the surface's hydrophilic qualities. In this research, AC was modified with nitric acid (M-PAC) and NOM removal was investigated. In addition, it is discussed how the modification with nitric acid changes the adsorbent structure and chemistry. A morphology with smooth and irregular voids was observed as a result of nitric acid modification of the original AC by SEM analysis. The particle size increased from 387.65 nm to 502.07 nm for the M-PAC adsorbent. The FTIR spectrum indicates that structures connected to aromatic rings get formed in the M-PAC adsorbent as a result of the modification. The highest NOM removal for the original powdered activated carbon (PAC), 47%, was observed at 36 hours of contact time. On the other hand, M-PAC adsorbent achieved 40% NOM removal at contact times of 72 hours and above. It was concluded that the pseudo-second order kinetic model better represented NOM adsorption for both adsorbents.

Hydrocarbon composition and properties of oils of the Apsheron Peninsula and their connection with geological mode of occurrence

Hydrocarbon accumulations in the Lower Pliocene Productive Series of Apsheron Peninsula have formed owing to subvertical hydrocarbon migration from the underlying Maykop and Diatom source formations. This concept has been substantiated by the recent studies based on the molecular-isotopic characteristics of organic matter, oil and gas. The most notable feature of the Apsheron oils is the stable predominance of paraffin-naphthene HCs in all oil fractions, and this is true for all the fields considered. Meanwhile two geological features had major influence on formation of the composition and properties of Lower Pliocene oils in Apsheron Peninsula. In structures unaffected by tectonic erosion more mobile light components of oils happened accumulated in upper stratigrafically younger horizons due to natural fractionation of hydrocarbons on their upward migration routes. In anticlinal folds with washed out crestal part physical and biochemical degradation has caused the loss of light hydrocarbons, first of all of methane fraction, and in this way weighting up of oils. From top to bottom, towards the basal PS suites the distillate fractions show reduction in the light ends (gasoline and naphtha), which is predictably accompanied by an increase in the amount of bottoms. Compositional variation in oil hydrocarbons laterally and through the section of the peninsula is graphically demonstrated on the basis of gasoline, ligroin, kerosene and diesel cuts of oil. In terms of elemental composition, the deeper the stratigraphic occurrence of the reservoir, the more the whole oil is enriched in sulphur- and nitrogen-containing polar compounds. Keywords: oil; hydrocarbon composition; Apsheron Peninsula; the Productive Series; Lower Pliocene.

A Comparative Study on Soil-Crop Selenium Characteristics in High-Incidence Areas of Keshan Disease in Chinese Loess and Black Soil

With the gradual emphasis on health by people, the research on the pathogenesis of endemic diseases has become increasingly in-depth. Through analyzing the environmental selenium characteristics and conducting a comparative study in typical areas of Chinese loess and black soil in this paper, it is concluded that the environmental selenium in the two regions has different characteristics. The soil in the loess area has the characteristics of high alkalinity, low selenium, and relatively high selenium availability, and the crops are selenium-deficient, while the soil in the black soil area has the characteristics of high organic matter, low selenium availability, and relatively high selenium in crops. The research concluded that the environmental occurrence mechanism of Keshan disease in the loess area and the black soil area is different. Keshan disease can be induced in both low-selenium and sufficient-selenium environments, and environmental selenium should be one of the inducing factors of Keshan disease. This research provides a reference for predicting the areas where Keshan disease occurs and for disease prevention, and it can also serve in the prevention and control of endemic diseases.

Characterization of natural organic matter in Wyoming-type bentonites irradiated at varied moisture levels

Wyoming-type bentonite clay (MX-80; Wyoming, USA) will be used in a deep geological repository (DGR) for the long-term storage of used nuclear fuel in Canada. The natural organic matter (NOM) found in bentonite may serve as a microbial nutrient source and potentially compromise the performance of the used fuel containers. Previous investigations indicate that NOM is present in low concentrations in MX-80 and has undergone extensive diagenetic alteration, though limited knowledge is available regarding NOM chemistry under simulated DGR conditions. Of particular concern is the possibility for gamma-radiation to alter NOM dissolution and reactivity due to the presence of reactive species generated by water radiolysis in Wyoming-type bentonites. In this study, NOM chemistry was investigated using complementary molecular-level techniques following exposure to a total gamma-radiation dose of 100 kGy (1.08 kGy/h for 93 h) at varied moisture levels (20%, 40%, 60% and 80%) and room temperature. Treated samples exhibited relatively low total organic carbon concentrations (0.074–0.232%), with no evidence of any major changes in total, organic, and inorganic carbon concentrations. Solid-state 13C NMR spectroscopy detected no changes in solid-phase NOM chemistry after irradiation. Solubilization of NOM increased significantly with radiation exposure at 80% moisture, suggesting higher levels of water saturation may enhance dissolved organic matter (DOM) production. Solution-state 1H nuclear magnetic resonance (NMR), and UV–Vis analyses did not identify any significant differences in DOM composition. More sensitive, targeted compound analysis revealed significant decreases in total n-alkanol concentration at lower moisture content levels (20% and 40%). Several individual compound concentrations also differed significantly at the nanogram-level, including n-octacosanol and several n-alkanoic acids at elevated moisture levels (60% and 80%). These findings suggest the majority of NOM in MX-80 remains chemically stable under the anticipated initial conditions of the proposed DGR.

Exploring the molecular characteristics of organic matter in low-rank coals using GC×GC/TOF-MS plus data mining

In-depth understanding the form of organic matter in low-rank coals contributes to the clean and efficient utilization of coals. Two low-rank coals were successively dissolved with cyclohexane, acetone and methanol at 300 °C, respectively. Six thermal dissolution (TD) extracts were comparatively analyzed using comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry (GC×GC/TOF-MS). Cyclohexane tends to extract low-polar compounds inherent in coal, such as aliphatic hydrocarbons, arenes and phenols. Acetone can extract monocyclic aromatic hydrocarbons containing alkyl side chains. Meanwhile, acetone can form N-H⋯O hydrogen bonds with nitrogen-containing organic compounds (NCOCs), facilitating the extraction of a greater quantity of NCOCs. Methanol breaks the ArCH2OArR structural unit within coal molecules and forms the dominant alkyl-substituted phenol. It was revealed that sequentially TD at 300 °C using different solvents only breaks intermolecular forces and weak covalent bonds. Additionally, a series of isomers of tricyclic aromatic hydrocarbons and alkylphenols were authenticated by GC×GC/TOF-MS. Principal component analysis and hierarchical clustering analysis were applied to mine effective molecular information from the extensive MS data. The statistical results indicate that solvent had a significant impact on the structure and composition of the TD extracts, more so than the variations in coal species. Thus, the conjunction of GC×GC/TOF-MS and chemometrics provided methodological guidance for an enhanced comprehension of the molecular structure of coals.

Size-resolved molecular characterization of water-soluble organic matter in atmospheric particulate matter from northern China

Atmospheric particulate matter (PM) affects visibility, climate, biogeochemical cycles and human health. Water-soluble organic matter (WSOM) is an important component of PM. In this study, PM samples with size-resolved measurements at aerodynamic cut-point diameters (Dp) of 0.01–18 μm were collected in the rural area of Baoding and the urban area of Dalian, Northern China. Non-targeted analysis was adopted for the characterization of the molecule constitutes of WSOM in different sized particles using Fourier transform-ion cyclotron resonance mass spectrometry. Regardless of the location, the composition of WSOM in Aitken mode particles (aerodynamic diameter <0.05 μm) was similar. The WSOM in accumulation mode particles (0.05–2 μm) in Baoding was predominantly composed of CHO compounds (84.9%), which were mainly recognized as lignins and lipids species. However, S-containing compounds (64.2%), especially protein and carbohydrates species, accounted for most of the WSOM in the accumulation mode particles in Dalian. The CHO compounds (67.6%–79.7%) contributed the most to the WSOM in coarse mode particles (>2 μm) from both sites. Potential sources analysis indicated the WSOM in Baoding were mainly derived from biomass burning and oxidation reactions, while the WSOM in Dalian arose from coal combustion, oxidation reactions, and regional transport.

From laboratory to pilot-scale: Assessing dissolved organic matter, biological stability and per- and polyfluoroalkyl substances removal on managed aquifer recharge performance

Managed aquifer recharge (MAR) is a promising technique for enhancing groundwater resources and addressing water scarcity. Particularly, this research highlights the novelty and urgent need for MAR facilities in the Chungcheongnam-do region of South Korea as a solution to augment groundwater resources and combat water scarcity. This research encompasses a comprehensive assessment, ranging from laboratory-scale column experiments to pilot-scale tests, focusing on dissolved organic matter (DOM) characterization, natural organic matter (NOM) removal, and water quality improvement, including biological stability. In the laboratory, DOM characteristics of source water and recharged groundwater were analyzed using advanced dissolved organic characteristic tools, and their potential impacts on water quality, as well as per- and polyfluoroalkyl substances (PFASs) were assessed. DOM, total cell counts, and several PFASs with molecular weights >450 Da (particularly long-chain PFASs showing >99.9 % reduction) were effectively reduced in a laboratory-scale experiment. A laboratory-scale column study revealed that most selected PFASs were not effectively removed. Moving to the pilot-scale, a series of experiments were conducted to assess NOM removal during soil passage. Similar to the results of the laboratory-scale experiment, MAR demonstrated significant potential for reducing NOM concentrations, thus improving water quality. Regarding biological stability, assimilable organic carbon in production well (i.e., final produced water by MAR process) was lower than both two sources of surface water (e.g., SW1 and SW2). This suggests that water derived from PW (i.e., production well) exhibited biological stability, undergoing effective biodegradation by aerobic bacteria during soil passage. The findings from this study highlight the critical importance of implementing MAR techniques in regions facing water scarcity, emphasizing its potential to significantly enhance future water security initiatives.

Regional differences in lead (Pb) and tetracycline (TC) binding behavior of sediment dissolved organic matter (SDOM): Effects of DOM heterogeneity and microbial degradation

Lake Nansi, primarily dominated by macrophytes, faces threats from heavy metals and antibiotics due to human activity. This study investigated sediment dissolved organic matter (SDOM) characteristics and complexation of lead (Pb) and tetracycline (TC) in barren zone (BZ) and submerged macrophytes zone (PZ). Additionally, a microbial degradation experiment was conducted to examine its impact on the regional variations in complexation. SDOM abundance and protein-like materials in PZ was significantly greater than in BZ, indicating a probable contribution from the metabolism and decomposition of submerged macrophytes. Both zones exhibited a higher affinity of SDOM for Pb compared to TC, with all four components participating in Pb complexation. Protein-like materials in PZ had a higher binding ability (LogKPb=4.19 ± 1.07, LogKTC=3.89 ± 0.67) than in BZ (LogKPb=3.98 ± 0.61, LogKTC=3.69 ± 0.13), suggesting a potential presence of organically bound Pb and TC due to the higher abundance of protein-like materials in PZ. Although microbial communities differed noticeably, the degradation patterns of SDOM were similar in both zones, affecting the binding ability of SDOM in each. Notably, the fulvic-like component C4 emerged as the dominant binding material for both Pb and TC in both zones. Degradation might increase the amount of organically bound TC due to the increase in the LogKTC.