Carbonate aquifer promoting a diverse and carbon-active aquatic habitats in a subtropical river system.

The interactions between land use and water quality play critical roles in shaping benthic macroinvertebrate biodiversity in rivers. However, existing studies struggle to effectively identify nonlinear interactions between land use and water quality. This study integrates Random Forest and SHapley Additive exPlanations to create a robust framework that identifies the nonlinear interactions among variables. Applied to the Fu River basin, a primary tributary of Poyang Lake, China, our framework identified season-specific drivers: Ammonia Nitrogen and Shannon's diversity landscape index dominated community dynamics in the wet season, while Hydrogen ion concentration and Forest were key in the dry season. Interactive analyses revealed that during the wet season, total phosphorus (TP) and cropland cover formed the most influential pair, with synergistic effects (i.e., combined impact > sum of individual effects). Notably, cropland coverage modulated TP’s impact on benthic diversity: low cropland cover favored positive effects of TP, which diminished as TP concentrations increased to 0.04 mg/L, whereas high cropland cover triggered negative effects that intensified with rising TP and stabilized at 0.10 mg/L. During the dry season, conductivity (Cond) and forest cover emerged as the most impactful pair, also exhibiting synergistic effects. Forest cover modulated Cond’s influence on benthic diversity: under high forest cover, low Cond exerted positive effects that weakened with increasing Cond to 60 μs/cm; under low forest cover, moderate Cond induced increasingly negative effects that plateaued at 80 μs/cm. This study provides a robust approach to decipher context-dependent environmental interactions, offering valuable insights for river ecological conservation and adaptive management. • Decoded nonlinear interactions of water quality/land use on benthic biodiversity in rivers. • NH 3 -N & SHDI/pH & forest dominate the biodiversity during wet/dry season. • TP-Cropland/Conductivity-Forest synergy amplifies impacts during wet/dry season.

Structural and thermal transitions in micronized date fruit powder: influence of controlled particle size reduction

• 240 laboratory experiments used to estimate Rn-222 secular equilibrium. • Lack of consistent Rn-222 secular equilibrium estimates from 4 common methods. • Comparison with 24 groundwater samples indicates reliability of one method. • Finer-grained sediments released greater amounts of Rn-222. Radon (Rn-222) is widely used as a tracer for identifying surface water-ground water interactions. To use Rn-222 as a tracer, the Rn-222 secular equilibrium concentration in groundwater is required. This is achieved by taking multiple field samples at distances from the river, which is not always achievable in practice. This study compares four commonly used laboratory techniques (diffusion experiments) for determining Rn-222 secular equilibrium to assess whether they yield consistent results. Laboratory-derived equilibrium values were compared with measured groundwater Rn-222 concentrations. The influence of sediment characteristics, including grain size, sorting, silt and clay content, and porosity on radon emanation rates was further examined. Sediment samples were collected from eight drillholes to depths of up to 30 m within a braidplain aquifer in Aotearoa New Zealand, along with groundwater samples from 24 monitoring wells completed in the same system. In total, 240 diffusion experiments and 24 groundwater samples were analysed. Results show that the four laboratory methods produced different equilibrium values, with median estimates ranging from 2.7 to 47.5 Bq/L. Method 2 (500 mL shaken samples) showed agreement with measured groundwater concentrations. However, groundwater concentrations were less than laboratory estimates of equilibrium values especially at shallow depth. Due to high groundwater velocities in braided river environments, Rn-222 in groundwater is unlikely to reach equilibrium nearby to the river and therefore diffusion experiments provide a complementary Rn-222 equilibrium estimate. Finer-grained sediments with higher silt and clay content (<63 µm) released greater amounts of Rn-222, highlighting the importance of collecting representative sediment samples.

River systems characterized by strong groundwater-surface water interaction exhibit complex hydrodynamic responses under hydroclimatic extremes. This study investigates how infiltration-dominated river reaches modulate flow persistence during drought and floodplain activation during extreme rainfall. A two-dimensional Environmental Fluid Dynamics Code (EFDC) model was implemented for a 20.35 km reach of the Gallinas River (Mexico) using high-resolution UAV-derived bathymetry and field-based discharge measurements. The model was calibrated and independently validated prior to simulating a 25-year return period flood (peak discharge = 1231.8[Formula: see text] [Formula: see text]) and a drought scenario constrained by an environmental-flow threshold (4.1[Formula: see text] [Formula: see text]). Results reveal the emergence of hydrodynamic thresholds driven by cumulative reach-scale losses ([Formula: see text]), producing nonlinear downstream discharge decay under low-flow conditions and requiring a minimum upstream inflow of [Formula: see text] to maintain ecological continuity. Under flood forcing, inundation patterns are primarily controlled by channel geometry and longitudinal slope reduction rather than discharge magnitude alone. These findings demonstrate that infiltration-influenced rivers exhibit dual hydrodynamic controls under contrasting extremes and highlight the importance of explicitly representing cumulative exchange processes in two-dimensional modeling frameworks. The study provides transferable insights for assessing drought resilience and flood risk in permeable or groundwater-connected river systems facing increasing hydroclimatic variability.

Ionic liquids (ILs) have been widely investigated as tunable solvents for gas capture, yet a molecular-level understanding of how their intrinsic nanostructure responds to small penetrant species remains incomplete. While previous studies have shown that nonpolar gases such as CO2 induce only localized perturbations in ILs, the presence of strongly interacting molecules can fundamentally modify the balance between polarity, connectivity, and nanoscale organization. Here, molecular dynamics simulations are employed to systematically investigate water-IL mixtures across 24 imidazolium-based ILs, combining multiple anions and cation alkyl chain lengths. Structural and energetic descriptors are analyzed at 300K and 1bar for water mole fractions of 0%, 10%, and 50%. The results demonstrate that the response of ILs to water is dominated by the nature of the anion, whereas variations in cation alkyl length primarily modulate the extent of nanosegregation. Hydrophilic anions promote reorganization of the polar network, leading to percolated hydrogen-bonded water-rich domains, while hydrophobic anions preserve the inherent nanosegregation of the liquid, confining water to localized pockets. In contrast to CO2, water, therefore, acts as a critical modulator of IL nanostructure rather than a passive occupant of pre-existing cavities. Interaction energies emerge as a unifying descriptor linking local coordination, hydrogen-bonding, and macroscopic water affinity across all systems. By contrasting penetrant-induced restructuring with the largely non-disruptive incorporation of CO2, this work provides fundamental insights into the molecular factors governing stability, adaptability, and selectivity in IL nanostructures, with direct implications for the design of ILs for greenhouse gas capture and separation.

Ceramides are N-acyl sphingosine derivatives with important functions in cell signaling and skin impermeability. Virtually all unsaturated sphingosines found in nature contain a 4-5 trans double bond. The trans configuration is essential for most ceramide functions. Several laboratories, including our own, have tried to understand the reasons for that configurational specificity. We found that, unlike the trans-isomer, cis-palmitoyl ceramide exhibited a kinetically restricted solid-solid phase transition with unusually large changes of molecular area under isothermal compression and marked hysteresis. We present a computational study of the equilibration properties of monolayers consisting of either cis- or trans-ceramides, using molecular dynamics. A reverse-pathway ordered-start atomistic simulation protocol has been developed, starting simulations from low-energy ordered states with hexagonal tail packing and favorable intermolecular amide group interactions, rather than from disordered states. This allowed for much shorter computational times than the conventional approach. This approach was complemented with virtual compression and expansion processes through sequential rescaling of atomic positions along the surface, followed by energy minimization and molecular dynamics runs. Large-scale atomistic simulations were performed on systems with 3456 lipids (72 × 48 arrays) hydrated with a 40 Å-thick water slab. The main conclusions are that trans-ceramide monolayers adopt an ordered conformation more easily (i.e., within a shorter range of mean areas per lipid) than their cis-counterparts and that the water interactions of the polar heads differ according to the isomer, with cis-ceramides being unable to form an intramolecular H-bond between the two OH groups and being oriented less deeply into water.

Water-zeolite interactions have long been a central focus in zeolite science, yet the site-specific behavior of water at inequivalent oxygen atoms remains poorly understood. Herein, 17O-labeled T-O-T bonds are employed as site-specific probes, combined with 17O NMR spectroscopy and DFT calculations to uncover framework Al-induced differences in water interactions at inequivalent oxygen atoms in Silicalite-1 (S-1) and HZSM-5 zeolites. Using 17O MQMAS NMR, three inequivalent Si-O-Si species, segregated in distinct regions with different environments, are identified. Si-OI-Si species are located at channel intersections pointing to 10-membered ring (10-MR) channels (10-MR-OI), whereas Si-OII-Si and Si-OIII-Si species are oriented toward either 10-MR channels (10-MR-OII/III) or small cavities formed by 5- and 6-membered rings (5/6-MR-OII/III). Their interactions with water are strongly modulated by framework Al and temperature. In S-1, reversible hydrolysis occurs at 10-MR-OI and 10-MR-OII/III sites at 473 K, whereas site selectivity vanishes at 773 K. In contrast, in HZSM-5, framework Al induces preferential hydrolysis at 5/6-MR-OII/III sites, conferring pronounced selectivity for 5/6-MR-OII/III sites at room temperature and enabling uniform hydrolysis across all oxygen sites at 473 K. DFT calculations reveal that water enrichment at Brønsted acid sites limits access to 10-MR-OI and 10-MR-OII/III species, while reversible breaking and re-forming of Si-O-Al bonds facilitates water entry into small cavities, reducing the energy barrier for hydrolysis of 5/6-MR-OII/III species. Moreover, coke deposition weakens water-framework oxygen interactions, partially protecting the framework against hydrolysis. This 17O-based probing strategy offers an efficient approach to elucidate reversible hydrolysis at inequivalent oxygen sites, contributing to the rational design of hydrothermally stable zeolites.

Organic aerosol particles undergo phase transitions through water uptake and release, which directly influence their physicochemical properties and impact aerosol-cloud interactions, climate, and air quality. Here, we combine environmental molecular beam (EMB) experiments with molecular dynamics (MD) simulations to investigate water interactions with valeric acid (VA) as a model organic aerosol system. Water molecules colliding with VA surfaces are predominantly trapped, with only a minor inelastic scattering channel observed. Most trapped molecules are weakly bound and desorb rapidly (69-83%), while a smaller fraction occupies more strongly bound surface states, leading to desorption on millisecond timescales (7-16%) or longer-term accommodation (5-20%). The water sticking coefficient shows little temperature dependence over 160-260 K, but depends strongly on film thickness, i.e., molecularly thin VA coatings exhibit higher sticking probabilities than micrometer-thick layers. These results suggest that molecularly thin VA coatings may exhibit differences in molecular arrangement that could contribute to differences in hygroscopic behavior compared to bulk-like surfaces.

In semi-arid coastal regions, increasing water demand and salinity intrusion pose significant challenges to the quality and sustainability of surface and groundwater resources. Understanding the hydrogeochemical characteristics of water is essential for evaluating its suitability for irrigation, industrial use, and long-term resource management. This study presents a comprehensive hydrogeochemical and statistical assessment of surface and groundwater quality in the Gir Somnath District and Diu region of Gujarat (GSDD), India. A total of 57 various water samples were systematically collected and analysed for major physicochemical parameters to evaluate their suitability for drinking, irrigation, and industrial purposes. GSDD region’s surface and groundwater is mostly alkaline in nature. However, its composition varies greatly depending on geological formations, evaporation, and human activities. The ionic dominance pattern is Na⁺ &gt; Mg²⁺ &gt; Ca²⁺ &gt; K⁺ and Cl⁻ &gt; HCO₃⁻ &gt; SO₄²⁻ &gt; CO₃²⁻ &gt; NO₃⁻ &gt; F⁻ indicating strong salinity control in coastal aquifers. The irrigation suitability indices and USSL (US salinity laboratory) classification show that most of the samples are either suitable or moderately suitable. However, the presence of salinity and magnesium could potentially harm soil structure and reduce crop yields. Industrial indices indicate a dual tendency of scaling and corrosion, suggesting the need for appropriate water treatment before industrial use. Multivariate statistical analysis and hydrochemical facies (Piper diagrams) confirm that groundwater chemistry is primarily governed by rock–water interaction, ion exchange processes, and salinity impact. This study of the GSDD region reveals that its surface and groundwater resources exhibit moderate suitability for various applications. However, it is very important to use sustainable water management strategies and salinity control measures to prevent deterioration and make sure that these water resources will be useful for a long-term stability.

Neutrino telescopes are large-scale detectors designed to observe Cherenkov radiation produced from neutrino interactions in water or ice. They exist to identify extraterrestrial neutrino sources and to probe fundamental questions pertaining to the elusive neutrino itself. A central challenge common across neutrino telescopes is to solve a series of inverse problems known as event reconstruction, which seeks to resolve properties of the incident neutrino, based on the detected Cherenkov light. In recent times, significant efforts have been made in adapting advances from deep learning research to event reconstruction, as such techniques provide several benefits over traditional methods. While a large degree of similarity in reconstruction needs and low-level data exists, cross-experimental collaboration has been hindered by a lack of diverse open-source datasets for comparing methods. We present NuBench, an open benchmark for deep learning-based event reconstruction in neutrino telescopes. NuBench comprises seven large-scale simulated datasets containing nearly 130 million charged- and neutral-current muon-neutrino interactions spanning 10 GeV to 100 TeV, generated across six detector geometries inspired by existing and proposed experiments. These datasets provide pulse- and event-level information suitable for developing and comparing machine-learning reconstruction methods in both water and ice environments. Using NuBench, we evaluate four reconstruction algorithms — ParticleNeT and DynEdge, both actively used within the KM3NeT and IceCube collaborations, respectively, along with GRIT and DeepIce — on up to five core tasks: energy and direction reconstruction, topology classification, interaction vertex prediction, and inelasticity estimation. Datasets, predictions and model artifacts are available here: https://github.com/graphnet-team/NuBench.

Cellulose derived from ascidians (tunicates) is distinguished from plant-based counterparts by its marine origin, with high crystallinity, and complex hierarchical architecture. However, quantitative structure-property relationships governing its performance in bioplastic applications remain underexplored. Here, cellulose isolated from three ascidian species Ascidia sp. (T1), Herdmania cf. pallida (T2), and Ascidia sydneiensis (T3) was systematically characterized. X-ray diffraction reveals crystallinity indices (CrI) of 48% (T1) and 60% (T2, T3), the latter approaching values reported for highly ordered systems such as bacterial cellulose. Thermogravimetric analysis demonstrates species-dependent thermal stability, with maximum degradation temperatures of 345°C (T1) versus 400°C-401°C (T2, T3). Notably, T2 and T3 exhibit thermal behavior comparable to microcrystalline and bacterial cellulose, despite CrI values lower than those systems, indicating that hydrogen-bonding density and microfibrillar order govern thermal resilience. Scanning electron microscopy reveals distinct microfibrillar architectures, ranging from highly branched networks to compact laminar structures, which govern water interaction and mechanical response. Water absorption varies markedly by species: T1 and T3 absorb 2200-2400 wt% within 10 min, consistent with their branched, open fibrillar morphologies, whereas T2 absorbs only 1200 wt%, reflecting a compact lamellar microstructure that restricts water diffusion. Hydrolytic degradation after 28 days in neutral water remains minimal across all samples, confirming exceptional resistance to hydrolytic scission under mild conditions. Bioplastics fabricated from these celluloses exhibit tensile strengths of 1-4 MPa, directly correlating with microstructural packing. Collectively, these results establish that ascidian cellulose is the combination of thermal stability up to 400°C, tunable water affinity (1200-2400% absorption), and hydrolytic resistance (1-9% loss over 28 days) arises from species-specific interactions between crystallinity, hydrogen bonding, and microfibrillar architecture. This positions ascidian-derived cellulose as a distinct marine macromolecular scaffold for sustainable bioplastics where controlled water interaction and structural durability are required. In general, it is established the relationship between the biological origin, hierarchical structure, and macroscopic properties of tunicate cellulose, highlighting its potential as a marine-derived macromolecular building block suitable for sustainable bioplastics applications.

High-pressure experimental constraints of carbonates + pyrite ± water interactions: implications for coupled C-H-O-S cycling in subduction zones

Seismic response of submerged concrete structures under coupled nonlinear soil water and soil structure interaction

Abstract The River Don Delta (RDB) and the adjacent estuary and land areas have significant ecological and economic value. RDB is the most eastern in the Mediterranean – Black Sea (MBS) basin delta, and it has similar problems with many other MBS deltas. So, the delta became sediment-starved due to the construction of dams upstream. Additionally, the geomorphological stability of RDB is threatened by regional climate changes over the sea and land, which became especially apparent starting from 1980th. In this study, we reconstructed suspended sediment budgets in different parts of the delta and the adjacent estuary and land areas in the period from 1944 to 2020 and analyzed the changes in the delta channel’s width and at the sea border starting from 1980th. We used the modelling framework, consisting of the modified hydrodynamic model HEC RAS and the large-scale sediment budget model, as well as satellite image analysis. We estimated suspended sediment balance in the front-delta, the delta channels, and the delta platform and at the adjacent land area for the three periods 1944–1973, 1974–1981, and 1982–2020, which are related to the construction of large dams in the River Don Basin. The sediment accumulation rates were similar to those of other MBS deltas. Suspended sediment budget dropped three times for the entire case study area from 1944–1973 to 1982–2020. At the same time, the percentage of accumulated sedimentation to the fluvial sediment delivery increased almost five times from the first to the third period. This proves that sea factors, seiches and storm surges, play a stabilizing role for the River Don Delta by increase in suspended sediment budget during the hydrological interaction of sea and river waters. Observed total annual channel width within the delta changes in line with sedimentation accumulation patterns in the delta channels for the period of environmental changes that started in 1980th. The delta’s sea border stabilizes in the period 1982–2020 due to the influence of the sea factors, seiches, and increased storm surges upon sedimentation patterns. Our findings allow us to conclude that engineering regulation of sedimentation is not necessary now in the River Don Delta.

ABSTRACT Pressurized cracks in concrete have a significant impact on the safety and durability of concrete structures. The peak strength of concrete is reduced in the presence of pressurized cracks. However, conducting pressure‐coupled strength evaluation experiments requires extensive effort, and simulation tools can complement the time‐consuming and labor‐intensive experiments for performance assessment. In this study, a poromechanics‐based phase‐field fracture model with softening behavior was implemented. The model was calibrated to the pressurized water interaction experiments and used to evaluate the properties of concrete with microstructures. The strength reduction of concrete due to pressure can be predicted, and the effects of microstructural features, such as the interfacial transition zone (ITZ) and aggregate volume ratio, were investigated. Further, differences in responses between the softening and brittle material models could be identified. The analysis confirmed the applicability of the proposed approach for conducting fluid fracture interaction simulations of pressurized concrete with microstructural features.

ABSTRACT The molecular-scale speciation and migration of water-soluble sodium (WS-Na) govern its removal efficiency, yet its microscopic distribution remains unclear. To address this, we employed molecular dynamics simulations to investigate the diffusion of H2O, Na+, and Cl− in coal slit pores. The results showed that as slit pore width increases, WS-Na shifts from uniform distribution across the coal surface and pores to preferential accumulation within the pores, with only limited diffusion into the surrounding coal matrix. Specifically, H2O molecules anchor to oxygen-containing functional groups on the coal surface via hydrogen bonding. Cl− is attracted to the surface through hydration shells formed by H2O and interactions with hydrogen atoms of these functional groups. Meanwhile, Na+ adsorbs onto the coal surface driven by Coulombic attractions to Cl− and surface oxygen atoms. Notably, the coexistence of Na+ and Cl− disrupts the hydrogen-bonding network among water molecules and weakens coal–water interactions, thereby reducing water diffusivity and promoting WS-Na aggregation within slit pores. These findings provide a molecular basis for the preferential enrichment of WS-Na in coal mesopores and offer mechanistic insights to guide the design of water-washing or thermal pretreatment processes for sodium removal.

Abstract The wetting of hydrophobic material via water droplet condensations by means of electronic microscopy and synchrotron computed tomography is investigated in this paper in order to better understand the mechanisms controlling the interaction of hydrophobic granular media and water. In literature so far the behavior has been investigated only by 2D means. In this study, sand and glass beads with similar grain size distribution were made hydrophobic via PFA-C6 cold plasma polymerization. A miniature cooling device based on the Peltier effect for in situ synchrotron computed tomography experiments controlled by a Raspberry Pi was designed and used to induce droplet condensation on the material’s surface during CT scanning. The tomograms allow to count droplets and measure their contact angles. Results show that the condensation of those small droplets feature contact angles usually greater than $$90^{\circ }$$ 90 ∘ at the beginning of the process, but as time advances, those droplets coalesce, increasing in volume and decreasing in quantity, while their contact angles get progressively smaller. Although hydrophobic behavior and convex menisci were expected in the pendular and funicular regimes, the contact angles of these water structures were closer to $$60^{\circ }$$ 60 ∘ at this phase, indicating hydrophilic tendencies. Similarly to wetting via water inflow, the hydrophobicity is lost after a specific degree of local saturation. Unfortunately, the results gathered in this study point in an unfavorable direction for the applications of the hydrophobization technique used here in the macroscale, given their low efficiency in repelling water after reaching the funicular state of the unsaturated regimen and the current discussions about their environmental implications.

Microplastic (MP) contamination has become a widespread environmental concern in coastal and freshwater wetlands, ecosystems that play a crucial role in hydrological regulation, nutrient cycling, and biodiversity conservation. Despite their ecological importance, research on MPs in wetlands remains fragmented and comparatively underexplored. This study presents a comprehensive bibliometric and visualization analysis of global research on MPs in coastal wetlands. A total of 17,523 publications were retrieved from the Web of Science Core Collection (2002–2025) using predefined search strings and screening criteria. Analytical tools, including VOSviewer version 1.6.20, were employed to examine co-authorship networks, country contributions, and keyword co-occurrence patterns. The results indicate a significant increase in MP-related publications after 2016, with China, the United States, and India emerging as leading contributors. However, wetland-specific studies constitute only a small fraction compared to marine-focused MP research, highlighting a substantial research gap. Key research themes identified include MP sources, transport pathways, sediment–water interactions, and ecotoxicological impacts. Additionally, there is growing attention to remediation approaches, particularly those involving TiO2, ZnO, Fe3O4, and graphene derivatives, employing photocatalytic, magnetic, and adsorptive mechanisms. Overall, the findings underscore the limited focus on wetland ecosystems in MP research and emphasize the urgent need for integrated research efforts and management strategies to address MP contamination in these vulnerable ecosystems.

ABSTRACT Coupling solar desalination with multi‐mechanism power generation offers a promising dual solution to water and energy crises, yet salt crystallization poses a major obstacle. Here, we present an integrated system featuring as multiple Donnan effects for salt‐resistant solar desalination and dual‐mode power generation. Leveraging the mechanisms of hydrogen bond differentials and Fe 3+ ‐tannic acid crosslinking, a ─SO 3 − ‐functionalized porous sponge evaporator (PSE‐SO 3 − ) was fabricated. Enabled by the Donnan effect of ─SO 3 − groups, the evaporator simultaneously resists salt accumulation and boosts hydrovoltaic power generation, thereby achieving a peak seawater evaporation rate of 4.19 kg m −2 h −1 under one‐sun irradiation while maintaining a salt‐free surface. Simultaneously, PSE2‐SO 3 − generated electricity via the hydrovoltaic effect, delivering outstanding power densities of 5.76/4.34 mW m −2 under one sun/dark conditions. Molecular dynamics simulations and in situ Raman spectroscopy confirmed Cl − interception and elucidated the H + ‐water interaction mechanism for power generation. Furthermore, integrating reverse electrodialysis based on the Donnan effect as an auxiliary strategy enhanced salt resistance of PSE2‐SO 3 − and delivered an osmotic power output of 0.804 W m −2 . Scale‐up of the self‐designed integrated system to an outdoor environment revealed synergistic performance outcomes, thereby establishing a pioneering demonstration platform for the efficient cogeneration of clean water and energy from seawater.