Beachgertsen3192

Emergent aquatic insects are important food subsidies to riparian food webs but can also transfer waterborne contaminants to the terrestrial environment. This study aimed to quantitatively assess this biodriven transfer for per- and polyfluoroalkyl substances (PFAS). Aquatic insect larvae, emergent aquatic insects, terrestrial consumers, sediment, and water were collected from a contaminated lake and stream and an uncontaminated pond, and analyzed for PFAS and stable isotopes of carbon and nitrogen. Top predators in this study were spiders, which showed the highest average ∑24PFAS concentration of 1400 ± 80 ng g-1 dry weight (dw) at the lake and 630 ng g-1 dw at the stream. The transfer of PFAS from the lake to the riparian zone, via deposition of emergent aquatic insects, was 280 ng ∑24PFAS m-2 d-1 in 2017 and only 23 ng ∑24PFAS m-2 d-1 in 2018. Because of higher production of emergent aquatic insects, the lake had higher PFAS transfer and higher concentrations in terrestrial consumers compared to the stream, despite the stream having higher PFAS concentration in water and aquatic insect larvae. Our results indicate that biodriven transfer of PFAS from the aquatic systems and subsequent uptake in terrestrial food webs depend more on emergence amounts, i.e., aquatic prey availability, rather than on PFAS concentrations in water and aquatic prey.Knowledge of dissolution, aggregation, and stability of nanoagrochemicals in root exudates (RE) and soil leachate will contribute to improving delivery mechanisms, transport in plants, and bioavailability. We characterized aggregation, stability, and dissolution of four nanoparticles (NPs) in soybean RE and soil leachate nano-CeO2, nano-Mn3O4, nano-Cu(OH)2, and nano-MoO3. Aggregation differed considerably in different media. In RE, nano-Cu(OH)2, and nano-MoO3 increased their aggregate size for 5 days; their mean sizes increased from 518 ± 43 nm to 938 ± 32 nm, and from 372 ± 14 nm to 690 ± 65 nm, respectively. Conversely, nano-CeO2 and nano-Mn3O4 disaggregated in RE with time, decreasing from 289 ± 5 nm to 129 ± 10 nm, and from 761 ± 58 nm to 143 ± 18 nm, respectively. Organic acids in RE and soil leachate can be adsorbed onto particle surfaces, influencing aggregation. Charge of the four NPs was negative in contact with RE and soil leachate, due to organic matter present in RE and soil leachate. Dissolution in RE after 6 days was 38%, 1.2%, 0.5%, and less then 0.1% of the elemental content of MoO3, Cu(OH)2, Mn3O4, and CeO2 NPs. Thus, the bioavailability and efficiency of delivery of the NPs or their active ingredients will be substantially modified soon after they are in contact with RE or soil leachate.Criegee intermediates in the atmosphere serve as oxidizing agents to initiate aerosol formation, which are particularly important for atmospheric modeling, and understanding their kinetics is one of the current outstanding challenges in climate change modeling. Because experimental kinetics are still limited, we must rely on theory for the complete picture, but obtaining absolute rates from theory is a formidable task. Here, we report the bimolecular reaction kinetics of carbonyl oxide with ammonia, hydrogen sulfide, formaldehyde, and water dimer by designing a triple-level strategy that combines (i) benchmark results close to the complete-basis limit of coupled-cluster theory with the single, double, triple, and quadruple excitations (CCSDTQ/CBS), (ii) a new hybrid meta density functional (M06CR) specifically optimized for reactions of Criegee intermediates, and (iii) variational transition-state theory with both variable rection coordinates and optimized reaction paths, with multidimensional tunneling, and with pressure effects. For (i) we have found that quadruple excitations are required to obtain quantitative reaction barriers, and we designed new composite methods and strategies to reach CCSDTQ/CBS accuracy. The present findings show that (i) the CH2OO + HCHO reaction can make an important contribution to the sink of HCHO under wide atmospheric conditions in the gas phase and that (ii) CH2OO + (H2O)2 dominates over the CH2OO + H2O reaction below 10 km.The need for holistic molecular measurements to better understand disease initiation, development, diagnosis, and therapy has led to an increasing number of multiomic analyses. The wealth of information available from multiomic assessments, however, requires both the evaluation and interpretation of extremely large data sets, limiting analysis throughput and ease of adoption. Computational methods utilizing artificial intelligence (AI) provide the most promising way to address these challenges, yet despite the conceptual benefits of AI and its successful application in singular omic studies, the widespread use of AI in multiomic studies remains limited. Here, we discuss present and future capabilities of AI techniques in multiomic studies while introducing analytical checks and balances to validate the computational conclusions.Deep-ultraviolet (DUV) nonlinear optical (NLO) materials play vital roles in diverse fields. Unfortunately, only the KBe2BO3F2 crystal has found commercial applications so far. Therefore, the discovery of new DUV NLO crystals is still urgent. As we all know, digging into the properties of existing crystals is also an effective way to obtain new NLO crystals. Herein, two natural asymmetric orthophosphates AMgPO4·6H2O (A = NH4, K) are proposed. Although their structures and some properties such as infrared spectra, thermal properties, and dielectric properties have been previously characterized, their NLO properties have not been reported. Thus, in this work, these two natural DUV transparent orthophosphates NH4MgPO4·6H2O (NMP) and KMgPO4·6H2O (KMP) were successfully acquired by a simple slow evaporation method. Navitoclax The single-crystal X-ray diffraction data indicate that NMP and KMP are isomorphic and that both belong to the Pmn21 space group of the orthorhombic system. Remarkably, NMP and KMP possess short cutoff edges below 190 nm, and their second-harmonic generation (SHG) efficiencies are 0.62 and 0.80 times that of KH2PO4(KDP), respectively; furthermore, they can achieve type-I phase matching at 1064 nm.