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At least 739 records · Page 41

Thermodynamic and Kinetic Roles of H2 in Structure Evolution of Urchin-like Co: A density functional theory study

Small gas molecules working as good capping agents play important roles in controlling the morphologies and surface structures of the metal nanocrystals. In present work, the thermodynamic and kinetic roles of H2 molecule played on the morphology of Co nanocrystal were systematically studied based on density functional theory (DFT). The Gibbs surface free energies (?) of Co(100), Co(110) and Co(111) under different hydrogen surface coverages were investigated by ab initio thermodynamics, based on which i) the phase diagrams of stable H coverage on each plane were obtained; ii) the morphology evolutions of the Co nanocrystals with various surface hydrogen coverages were further predicted by Wulff construction. It was revealed that addition of H2 could change the facet stability generating diverse morphological Co nucleus. The kinetic role of H2 was further explored by DFT during adatom Co surface diffusions under different H coverages (?H), which suggested that except for Co(100) at ?H of 0.56 ML, the surface H would hinder Co surface diffusions. The projected density of state (PDOS) gave a deeper insight that the electronic structures of the Co adatom could be alerted by addition of the surface H, which thereby affected its surface diffusion ability. X. Wang, N. Liu, Q. Zhang, X. Liang, and B. Chen were financially supported by the National Natural Science Foundation of China (No. 21476012, 21571012, and 91534201). D. Mei was supported by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. Computing time was granted by the facility user proposal grand challenge of computational catalysis of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL). EMSL is a national scientific user facility located at Pacific Northwest National Laboratory (PNNL) and sponsored by DOE’s Office of Biological and Environmental Research.

Nanocrystal Co, Surface free energy, Surface diffu↗

Potential impacts of Fukushima nuclear wastewater discharge on nutrient supply and greenhouse gas emissions of food systems

Seafood plays a critical role in promoting a nutritious and climate-friendly food system but faces challenges from marine contamination that pose food safety risks. Here, to address these challenges, we developed a Marine Pollution-induced Food System Risk Assessment and Response (MP-FSRAR) model to assess the impact of consumer perceptions of marine pollution risk events on nutrient supply and greenhouse gas (GHG) emissions. Applying this model to the proposed Fukushima Nuclear Wastewater Discharge (FNWD) into the Pacific Ocean, we identified the potential variation in nutrient supply and GHG emissions resulting from changes in Chinese consumers' willingness to consume seafood under 12 scenarios. Our analysis revealed nutrient supply gaps in daily protein, minerals, vitamins, and fatty acids, ranging from 1.5 to 2.7 g/person, 2.5–4.5 mg/person, 5.6–10.3 mcg/person, and 0.08–0.14 g/person, respectively. Closing the protein gap in China would require an additional 3.2–15.8 billion kg yr -1 protein-rich foods, including aquatic, livestock, dairy, and pulses. Additional food supply would increase extra GHG emissions by 1–79 billion kg CO 2 e yr -1 , resulting in potential GHG emissions being transmitted to other countries through the trade chain. Furthermore, we found that the livestock-based food substitution pathway had 40 times higher GHG emissions than the plant-based one. Our MP-FSRAR model provides global stakeholders with new perspectives on the potential consequences of consumer perceptions of marine pollution risks and offers valuable insights for developing countermeasures to build a more resilient and low-carbon food system.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Enhancing supply resilience for critical materials: case study of gallium supply in the United States

Accelerating energy technology development will increase demand for critical raw materials, such as gallium, that enable clean energy technologies. Processing of gallium is concentrated in mainland China (98 % of global production in 2023), resulting in high supply risks for importing countries. To investigate pathways for more resilient supply, we develop a material flow analysis and apply it to the United States, showing the impacts of future domestic primary raw material production and end-of-life (EoL) product recycling on reducing import reliance of raw gallium metal. We complement this analysis with a techno-economic assessment of North American gallium production costs under various demand growth scenarios. Our results indicate that sufficient domestic feedstocks exist to meet U.S. demand under most scenarios by 2035, while EoL recycling can supply up to 50 % under a low-demand growth scenario. Domestic primary production shows significant cost advantages over gallium recycling.

Cost analysis↗

How demand for and trade of construction materials affects greenhouse gas emissions

Construction materials generate nearly one-third of global carbon emissions, yet conventional accounting captures only a fraction of this impact. Using EXIOBASE data spanning 25 years, we tracked emissions across construction supply chains for cement, steel, metals, and plastics. While global construction demand nearly tripled, regional patterns diverged significantly. The EU reduced emissions despite increased demand through renewable energy adoption and emissions trading, while China's construction boom—driving most global growth—significantly increased domestic emissions. Manufacturing contributes most to embodied emissions compared to resource extraction and waste treatment. Increased reliance on offshore production undermines domestic emission control strategies, highlighting the need for expanded carbon border adjustment mechanisms. Without policies addressing full supply chain emissions, even aggressive climate initiatives will be compromised by carbon leakage, creating an emissions trajectory incompatible with global climate targets.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Life-cycle greenhouse gas emissions analysis of battery-grade lithium production in Finland

Various countries are undertaking initiatives to domestically produce battery-related critical materials. Within Finland, Keliber Technology Oy is developing capabilities for battery-grade lithium hydroxide monohydrate (LHM) production from spodumene ores. A detailed life-cycle assessment (LCA) of this pathway is conducted to determine its life-cycle GHG impacts using Argonne's R&D GREET (Research and Development Greenhouse gases, Regulated Emissions, and Energy use in Technologies) model. The analysis shows life-cycle GHG emissions of similar to 9.2 kg CO 2-eq /kg LHM, dominated by contributions from three energy sources - diesel, natural gas, and electricity - and two material inputs - lime (CaO) and soda ash (Na 2 CO 3 ). Sensitivity analyses highlight the potential to reduce these impacts using low-carbon electricity, sequestration of process CO 2 emissions generated during CaO and Na 2 CO 3 production, and bio-based energy for LHM production (by similar to 15 % each). A comparative analysis shows lower impacts for Keliber's LHM than for existing LHM production from Australian spodumene ores processed in China (by similar to 40 %).

CCS↗

Mapping foliar photosynthetic capacity in sub-tropical and tropical forests with UAS-based imaging spectroscopy: Scaling from leaf to canopy

Accurate understanding of the variability in foliar physiological traits across landscapes is critical to improve parameterization and evaluation of terrestrial biosphere models (TBMs) that seek to represent the response of terrestrial ecosystems to a changing climate. Numerous studies suggest imaging spectroscopy can characterize foliar biochemical and morphological traits at the canopy scale, but there is only limited evidence for retrieving canopy photosynthetic capacity (e.g., maximum carboxylation rate, V c,max and maximum electron transport rate, J max ). Moreover, the effect of canopy structure within forest communities on scaling up spectra-trait relationships from leaf to canopy level is not well known. To advance the spectra-trait approach and enable the estimation of key traits using remote sensing, we collected imaging spectroscopy data from an Unoccupied Aerial System (UAS) platform over two forest sites in China (a subtropical forest in Mt. Dinghu and a tropical rainforest in Xishuangbanna). At these sites, we also collected ground measurements of leaf spectra and traits, including biochemical (leaf nitrogen, phosphorus, chlorophyll, and water content), morphological (leaf mass per area, LMA) and physiological (V c,max25 and J max25 ) traits (n=135 tree-crowns from 42 species across two sites). Using a partial least-squares regression (PLSR) approach, we built and tested spectra-trait models with repeated cross-validation. The spectral models developed with leaf spectra were directly transferred to canopy spectra to evaluate the effect of canopy structure. Here we further applied canopy spectral models to map these traits at individual tree-crown scale. The results demonstrate that (1) UAS-based canopy spectra can be used to estimate V c,max (R 2 =0.55, nRMSE=11.79%), Jmax (R 2 =0.54, nRMSE=12.34%), and five additional foliar traits (R 2 =0.38-0.60, nRMSE=10.11-13.56%) at the tree-crown scale with demonstrated generalizability across two sites; (2) canopy structure strongly affects the spectratrait relationships from leaf to canopy level, but the effects vary considerably across foliar traits and cannot be well captured by the 4SAIL canopy radiative transfer model. UAS-based imaging spectroscopy maps large variability in all foliar traits (including physiological traits) with spatially explicit information, reproducing the field-observed inter- and intra-specific variations. These results demonstrate the capability of using UAS-based imaging spectroscopy for characterizing the variability of foliar physiological traits at individual tree-crown scale over forest landscapes and highlight the similar generalizability but different biophysical mechanisms underlying spectra-trait relationships at leaf and canopy levels.

54 ENVIRONMENTAL SCIENCES↗

Arsenic stabilization performance of a novel starch-modified Fe-Mn binary oxide colloid

Arsenic (As) is an environmentally hazardous contaminant and can be a serious threat to human health. In China, remediation needs for a large number of As-contaminated sites renders a strong demand for efficient remedial reagents and cost effective approaches. In this study, a novel starch-modified Fe-Mn binary oxide (SFM), an amorphous colloidal material, has been synthesized as a remedial reagent and its As stabilization performance has been evaluated. A set of laboratory batch experiments were carried out by directly adding SFM of different dosages into three contaminated soils. Results demonstrated that SFM could transform As in soil from non-specifically and specifically sorbed fractions to the more stable form bounded to amorphous iron hydrous oxides, thus reducing the As concentration in TCLP leachates by 42.0-93.2%. Results from adsorption tests and microscopic analysis indicated that the interactions between SFM and As are mainly controlled by adsorption, oxidation, and precipitation processes. SFM has abundant surface hydroxyl groups, with excellent adsorption properties for both As(V) and As(III), with the maximum adsorption capacities of 160.63 and 284.64 mg/g respectively at pH 7.0. The adsorption process closely fitted pseudo second-order kinetics and Freundlich isotherm model. SFM could increase soil Eh and oxidize As(III) to As(V), which facilitated the As stabilization in soilColloidal iron-based material directly used for stabilization in As contaminated soils is reported here for the first time. Starch modification improves both the reactivity and mobility of SFM in soil. Our findings propose an efficient and convenient reagent for As remediation in soil.

Yan, Xiulan↗

Responses of gaseous sulfuric acid and particulate sulfate to reduced SO 2 concentration: A perspective from long-term measurements in Beijing

SO 2 concentration decreased rapidly in recent years in China due to the implementation of strict control policies by the government. Particulate sulfate ( p S O 4 2 - ) and gaseous H 2 SO 4 (SA) are two major products of SO 2 and they play important roles in the haze formation and new particle formation (NPF), respectively. We examined the change in p S O 4 2 - and SA concentrations in response to reduced SO 2 concentration using long-term measurement data in Beijing. Simulations from the Community Multiscale Air Quality model with a 2-D Volatility Basis Set (CMAQ/2D-VBS) were used for comparison. From 2013 to 2018, SO 2 concentration in Beijing decreased by ~81% (from 9.1 ppb to 1.7 ppb). p S O 4 2 - concentration in submicrometer particles decreased by ~60% from 2012–2013 (monthly average of ~10 μg·m - 3 ) to 2018–2019 (monthly average of ~4 μg·m - 3 ). Accordingly, the fraction of p S O 4 2 - in these particles decreased from 20–30% to <10%. Increased sulfur oxidation ratio was observed both in the measurements and the CMAQ/2D-VBS simulations. Despite the reduction in SO 2 concentration, there was no obvious decrease in SA concentration based on data from several measuring periods from 2008 to 2019. This was supported by the increased SA:SO 2 ratio with reduced SO 2 concentration and condensation sink. NPF frequency in Beijing between 2004 and 2019 remains relatively constant. Finally, this constant NPF frequency is consistent with the relatively stable SA concentration in Beijing, while different from some other cities where NPF frequency was reported to decrease with decreased SO 2 concentrations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A biosorption-based approach for selective extraction of rare earth elements from coal byproducts

Coal byproducts could be a promising feedstock to alleviate the supply risk of critical rare earth elements (REEs) due to their abundance and REE content. Herein, we investigated the economic and environmental potential of producing REEs from coal fly ash and lignite through an integrated process of leaching, biosorption, and oxalic precipitation based on experimental data and modeling results. Two microbe immobilization systems (PEGDA) microbe beads and Si sol-gels) were examined for their efficiency in immobilizing Arthrobacter nicotianae to selectively recover REEs. Techno-economic analysis revealed that North Dakota lignite could be a profitable feedstock when Si sol-gel is used due to its high cell loading and REE adsorption capacity. Life cycle analysis revealed that Si sol-gel based biosorption could be more environmental friendly than the prevailing REE production in China due to use of less toxic chemicals. However, fly ash sourced from Powder River Basin coals was neither profitable or environmentally sustainable, primarily due to low solublity of high-value scandium at an economical pulp density (100 ash/L). To further improve the proposed biotechnology, future research could focus on scandium recovery, leaching efficiency, and microbe carriers.

20 FOSSIL-FUELED POWER PLANTS↗

Bioleaching ion-unexchangeable rare earth in ion-adsorption type rare earth waste tailing

Ion-adsorption type rare earth ores (IREO) in China serve as the primary source of medium and heavy rare earth globally. With the rapidly growing demand for rare earth elements (REEs) and the dwindling supply of premium IREO, enhancing the recovery of REEs, especially the ion-unexchangeable REEs with ultra-low content and ambiguous speciation from IREO or its tailing, has become a critical trend and challenge. Here, this study identified the occurrences of ion-unexchangeable REEs, primarily detected in Fe-enriched minerals, xenotime, and monazite of IREO using TESCAN integrated mineral analyzer (TIMA) and laser ablation inductively coupled plasma mass spectrometer (LA-ICP-MS) analysis. To extract these elusive REEs, a bioleaching technique utilizing Aspergillus niger (A. niger) metabolites was proposed, achieving a leaching yield of 31.4 wt%. Complementary sequential chemical extraction methods (SCEM), X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) calculations further elucidate the underlying mechanism, involving the carboxylic acid produced by the metabolic process of microbes that dissolves goethite by disrupting Fe—O bonds and liberating REEs, which complexed with carboxylate (R—COO—), to promote further dissolution. This work offers insight into enhancing the recovery of ion-unexchangeable REEs from IREO or its tailing, paving the way for sustainable and efficient rare earth mining practices.

42 ENGINEERING↗

N-induced soil acidification triggers metal stimulation of soil methane oxidation in a temperate steppe ecosystem

Methane (CH 4 ) is a potent greenhouse gas, and it is well established that low nitrogen (N) stimulates- and high N suppresses CH 4 oxidation in grassland ecosystems. Here, in this study, we examined the response of CH 4 uptake to long-term (>10 years) multi-level N additions in a temperate steppe of northern China. The N impacts on CH 4 uptake transitioned from positive to negative at the N addition rate of 4 g N m -2 y -1 . However, the high-N suppression on CH 4 uptake was partially relieved when the continuous (>10 years) high N inputs (16 g N m -2 y -1 to 64 g N m -2 y -1 ) caused soil pH drop to < 5.7. Further experiments revealed that continuous high-N inputs acidified soil to pH < 5.7 that released metal ions to stimulate monooxygenase enzyme activity; therefore, the CH 4 oxidation suppression was partially relieved under continuous N loading. Structural equation model results confirmed that metal ions, such as Iron (Fe 3+ ), Manganese (Mn 4+ ), and Copper (Cu) desorbed by soil particles, were negatively correlated with soil pH while positively correlated with CH 4 oxidation under high N inputs. These analyses suggested that continuous high N inputs-induced soil acidification can release previously bounded metal elements that partially alleviated the N suppression on CH 4 uptake. The N-induced soil acidification impacts on CH 4 uptake might play a critical role in global CH 4 cycling and deserve further investigation as external N inputs continue climbing.

59 BASIC BIOLOGICAL SCIENCES↗

Too Much of a Good Thing? Global Trends in the Curtailment of Solar PV

Solar photovoltaic (PV) systems generate electricity with no marginal costs or emissions. As a result, PV output is almost always prioritized over other fuel sources and delivered to the electric grid. However, PV curtailment is increasing as PV composes greater shares of grid capacity. In this paper, we present a novel synthesis of curtailment in four key countries: Chile, China, Germany, and the United States. We find that about 6.5 million MWh of PV output was curtailed in these countries in 2018. We find that: Policy and grid planning practices influence where, when, and how much PV is curtailed; Some PV curtailment is attributable to limited transmission capacity connecting remote solar resources to load centers; PV curtailment peaks in the spring and fall, when PV output is relatively high but electricity demand is relatively low. We discuss available measures to reduce PV curtailment as well as increasing PV curtailment in the contexts of evolving grids and energy technologies.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Reducing ridesourcing empty vehicle travel with future travel demand prediction

Ridesourcing services provide alternative mobility options in several cities. Their market share has grown exponentially due to the convenience they provide. The use of such services may be associated with car-light or car-free lifestyles. However, there are growing concerns regarding their impact on urban transportation operations performance due to empty, unproductive miles driven without a passenger (commonly referred to as deadheading). This paper is motivated by the potential to reduce deadhead mileage of ridesourcing trips by providing drivers with information on future ridesourcing trip demand. Future demand information enables the driver to wait in place for the next rider’s request without cruising around and contributing to congestion. A machine learning model is employed to predict hourly and 10-minute future interval travel demand for ridesourcing at a given location. Using future demand information, we propose algorithms to (i) assign drivers to act on received demand information by waiting in place for the next rider, and (ii) match these drivers with riders to minimize deadheading distance. Real-world data from ridesourcing providers in Austin, TX (RideAustin) and Chengdu, China (DiDi Chuxing) are leveraged. Results show that this process achieves 68%–82% and 53%–60% reduction of trip-level deadheading miles for the RideAustin and DiDi Chuxing sample operations respectively, under the assumption of unconstrained availability of short-term parking. Deadheading savings increase slightly as the maximum tolerable waiting time for the driver increases. Further, it is observed that significant deadhead savings per trip are possible, even when a small percent of the ridesourcing driver pool is provided with future ridesourcing demand information.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Arctic shipping under global change: A case study of offshore oil exports

We explore impacts of sea ice thinning and evolutions in the energy sector on future use of the Northern Sea Route (NSR) versus the Suez Canal Route (SCR), using a case study of shipping oil extracted from the offshore Russian Arctic to China. We combine an integrated human-Earth system model with a shipping cost model to incorporate impacts on both oil production and shipping costs under internally consistent scenarios. We find that the NSR could become cost-competitive with the SCR as sea ice thickness declines, especially in an RCP8.5 scenario, due to decreasing fuel and icebreaker escort costs. In a global energy evolution scenario consistent with RCP2.6, high emissions costs on the longer SCR may outweigh the costs associated with thicker sea ice on the NSR. Our novel framework provides integrated projections of NSR shipping traffic driven by a specific commodity likely to be shipped through the Arctic.

Arctic↗

Efficacy of an inactivated Senecavirus A vaccine in weaned pigs and mature sows

Senecavirus A (SVA), commonly known as Seneca Valley virus (SVV) is a causative agent for vesicular disease in swine. It has been found across the globe including the United States, Brazil, and China. Clinical disease caused by this virus is identical to foot-and-mouth disease virus (FMDV). Since FMDV has the potential to cause severe economic consequences in FMDV-free countries, those countries are on high alert for signs of vesicles in swine and an investigation is performed to rule out the presence of FMDV if observed. In countries where SVA cases have continued to occur, investigations and testing can cause a burden on personnel and resources. The objectives of this study were to test the efficacy of a whole-virus inactivated SVA vaccine against challenge in nursery-aged pigs, mature sows, and to assess the protection of passive maternal immunity generated by immunized dams. Animals were given two doses of the vaccine intramuscularly three weeks apart and challenged intranasally two weeks after the second dose. Non-vaccinated animals challenged with SVA developed clinical signs of disease, replicated virus, and developed a neutralizing antibody response. Vaccinated animals had robust neutralizing titers after two doses; and after challenge, did not develop vesicular disease and had limited rectal shedding. Piglets suckling immunized dams and challenged with SVA at 3–6 days-of-age had neutralizing titers prior to challenge and did not replicate or shed virus. An efficacious vaccine could improve swine welfare and reduce the economic consequences of continued foreign animal disease investigations.

60 APPLIED LIFE SCIENCES↗

Congenital toxoplasmosis in humans: an update of worldwide rate of congenital infections

Abstract The morbidity due to congenital toxoplasmosis in humans is very high. Most of these infected children are likely to develop symptoms of clinical toxoplasmosis. Sequelae in fetus resulting from Toxoplasma gondii infections in women who become infected with this parasite during pregnancy can be devastating and enormous efforts are directed in some countries to prevent these consequences. Here, an update on congenital toxoplasmosis in humans, especially the rate of congenital infections in humans worldwide, is provided. Although several countries have surveillance programmes, most information on the rate of congenital transmission is from France and Brazil. Because of compulsory national screening programme in France to detect and treat women with recently acquired T. gondii infection with anti-toxoplasma therapy, the rate of congenital transmission and the severity of disease in children are declining. Infections by this parasite are widely prevalent in Brazil. The severity of clinical toxoplasmosis in Brazilian children is very high and may be associated with the genetic characteristics of T. gondii isolates prevailing in animals and humans in Brazil. Virtually little or no information is available on this topic from China, India and other countries in Asia.

Parasitology↗

Solid Electrolytes in the Spotlight

This virtual issue is targeted to students and researchers, and highlights 32 research articles published over the past 5 years (from July 2016 to July 2021) in Chemistry of Materials (CM). Here, the compilation of papers summarizes the latest advances in the field of solid-state electrolytes for lithium (Li)-, sodium (Na)-, and multivalent-ion (not among the 32 articles discussed) all-solid-state batteries (ASSBs), with a focus on inorganic materials and excluding hybrid systems, e.g., polymer/ceramic composites or systems including liquid media. A total of 125 articles reporting exciting experimental and/or theoretical findings on solid electrolytes were considered for this issue. During 2017–2019, there were about 25–30 papers published per year on this topic, but 2020 and 2021 saw a significant increase, with 26 publications in the first half of 2021 alone. Submissions came from many countries around the world, as shown in Figure 1. While most papers were led by research groups located in the United States, Germany and Japan follow closely, and Austria, the United Kingdom, Canada, and China are also well represented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microbial Communities Associated with Methylmercury Degradation in Paddy Soils

Bioaccumulation of the neurotoxin methylmercury (MeHg) in rice has raised worldwide concerns because of its risks to human health. Certain microorganisms are able to degrade MeHg in pure cultures, but the roles and diversities of the microbial communities in MeHg degradation in rice paddy soils are unknown. Using a series of microcosms, we investigated MeHg degradation in paddy soils from Hunan, Guizhou, and Hubei provinces, representing three major rice production regions in China, and further characterized one of the soils from the Hunan Province for microbial communities associated with MeHg degradation. Microbial demethylation was observed in all three soils, demonstrated by significantly more MeHg degraded in the unsterilized soils than in the sterilized controls. More demethylation occurred in water-saturated soils than in unsaturated soils, but the addition of molybdate and bromoethanesulfonic acid as the respective inhibitors of sulfate reducing bacteria and methanogens showed insignificant effects on MeHg degradation. However, the addition of Cu enhanced MeHg degradation and the enrichment of Xanthomonadaceae in the unsaturated soil. 16S rRNA Illumina sequencing and metatranscriptomic analyses of the Hunan soil consistently revealed that Catenulisporaceae, Frankiaceae, Mycobacteriaceae, and Thermomonosporaceae were among the most likely microbial taxa in influencing MeHg degradation in the paddy soil, and they were confirmed by combined analyses of the co-occurrence network, random forest modeling, and linear discriminant analysis of the effect size. Furthermore, our results shed additional light onto the roles of microbial communities in MeHg degradation in paddy soils and its subsequent bioaccumulation in rice grains.

59 BASIC BIOLOGICAL SCIENCES↗