Quantum-Confined Perovskite Nanocrystals Enabled by Negative Catalyst Strategy for Efficient Light-Emitting Diodes.

The perovskite nanocrystals (PeNCs) are emerging as a promising emitter for light-emitting diodes (LEDs) due to their excellent optical and electrical properties. However, the ultrafast growth of PeNCs often results in large sizes exceeding the Bohr diameter, leading to low exciton binding energy and susceptibility to nonradiative recombination, while small-sized PeNCs exhibit a large specific surface area, contributing to an increased defect density. Herein, Zn2+ ions as a negative catalyst to realize quantum-confined FAPbBr3 PeNCs with high photoluminescence quantum yields (PL QY) over 90%. Zn2+ ions exhibit robust coordination with Br- ions is introduced, effectively retarding the participation of Br- ions in the perovskite crystallization process and thus facilitating PeNCs size control. Notably, Zn2+ ions neither incorporate into the perovskite lattice nor are absorbed on the surface of PeNCs. And the reduced growth rate also promotes sufficient octahedral coordination of PeNC that reduces defect density. The LEDs based on these optimized PeNCs exhibits an external quantum efficiency (EQE) of 21.7%, significantly surpassing that of the pristine PeNCs (15.2%). Furthermore, the device lifetime is also extended by twofold. This research presents a novel approach to achieving high-performance optoelectronic devices.

Investigating long-term changes in surface water temperature of Dongting Lake using Landsat imagery, China.

Lake surface water temperature (LSWT) plays a crucial role in assessing the health of aquatic ecosystems. Variations in LSWT can significantly impact the physical, chemical, and biological processes within lakes. This study investigates the long-term changes in surface water temperature of the Dongting Lake, China. The LSWT is retrieved using Landsat thermal infrared imageries from 1988 to 2022 and validated with in situ observations, and the change characteristics of LSWT and near-surface air temperature (NSAT) as well as the spatial distribution characteristics of LSWT are analyzed. Additionally, the contribution rates of different meteorological factors to LSWT are quantified. The results show that the accuracy assessment of satellite-derived temperatures indicates a Nash-Sutcliffe efficiency coefficient (NSE) of 0.961, suggesting an accurate retrieval of water temperature. From 1988 to 2022, both the annual average LSWT and NSAT of Dongting Lake exhibit an increasing trend, with similar rates of warming. They both undergo a mutation in 1997 and have the main periods on the 11-year and 4-year time scales. The changes in NSAT emerge as one of the important factors contributing to variations in LSWT. Among the multiple meteorological factors, NSAT exhibits a significant correlation with LSWT (R = 0.822, α < 0.01). Furthermore, NSAT accounts for the highest contribution rate to LSWT, amounting to 67.5%. The distribution of LSWT within Dongting Lake exhibits spatial variations, with higher LSWT observed on the west part compared to the east part during summer, while lower LSWT occurs on the west part during winter. The findings of this study can provide a scientific understanding for the long-term thermal regimes of lakes and help advance sustainable lake management.

Realization of monolayer ZrTe5 topological insulators with wide band gaps.

Two-dimensional topological insulators hosting the quantum spin Hall effect have application potential in dissipationless electronics. To observe the quantum spin Hall effect at elevated temperatures, a wide band gap is indispensable to efficiently suppress bulk conduction. Yet, most candidate materials exhibit narrow or even negative band gaps. Here, via elegant control of van der Waals epitaxy, we have successfully grown monolayer ZrTe5 on a bilayer graphene/SiC substrate. The epitaxial ZrTe5 monolayer crystalizes in two allotrope isomers with different intralayer alignments of ZrTe3 prisms. Our scanning tunneling microscopy/spectroscopy characterization unveils an intrinsic full band gap as large as 254 meV and one-dimensional edge states localized along the periphery of the ZrTe5 monolayer. First-principles calculations further confirm that the large band gap originates from strong spin-orbit coupling, and the edge states are topologically nontrivial. These findings thus provide a highly desirable material platform for the exploration of the high-temperature quantum spin Hall effect.

Integration of deep learning and improved multi-objective algorithm to optimize reservoir operation for balancing human and downstream ecological needs.

Dam (reservoir)-induced alterations of flow and water temperature regimes can threaten downstream fish habitats and native aquatic ecosystems. Alleviating the negative environmental impacts of dam-reservoir and balancing the multiple purposes of reservoir operation have attracted wide attention. While previous studies have incorporated ecological flow requirements in reservoir operation strategies, a comprehensive analysis of trade-offs among hydropower benefits, ecological flow, and ecological water temperature demands is lacking. Hence, this study develops a multi-objective ecological scheduling model, considering total power generation, ecological flow guarantee index, and ecological water temperature guarantee index simultaneously. The model is based on an integrated multi-objective simulation-optimization (MOSO) framework which is applied to Three Gorges Reservoir. To that end, first, a hybrid long short-term memory and one-dimensional convolutional neural network (LSTM_1DCNN) model is utilized to simulate the dam discharge temperature. Then, an improved epsilon multi-objective ant colony optimization for continuous domain algorithm (ε-MOACOR) is proposed to investigate the trade-offs among the competing objectives. Results show that LSTM _1DCNN outperforms other competing models in predicting dam discharge temperature. The conflicts among economic and ecological objectives are often prominent. The proposed ε-MOACOR has potential in resolving such conflicts and has high efficiency in solving multi-objective benchmark tests as well as reservoir optimization problem. More realistic and pragmatic Pareto-optimal solutions for typical dry, normal and wet years can be generated by the MOSO framework. The ecological water temperature guarantee index objective, which should be considered in reservoir operation, can be improved as inflow discharge increases or the temporal distribution of dam discharge volume becomes more uneven.

Asymmetric Solvents Regulated Crystallization-Limited Electrolytes for All-Climate Lithium Metal Batteries.

Electrolytes that can keep liquid state are one of the most important physical metrics to ensure the ions transfer with stable operation of rechargeable lithium-based batteries at a wide temperature window. It is generally accepted that strong polar solvents with high melting points favor the safe operation of batteries above room temperatures but are susceptible to crystallization at low temperatures (≤-40 °C). Here, a crystallization limitation strategy was proposed to handle this issue. We demonstrate that, although the high melting points of ethylene sulfite (ES, -17 °C) and fluoroethylene carbonate (FEC, ≈23 °C), their mixtures can avoid crystallization at low temperatures, which can be attributed to low intermolecular interactions and altered molecular motion dynamics. A suitable ES/FEC ratio (10 % FEC) can balance the bulk and interface transport of ions, enabling LiNi0.8 Mn0.1 Co0.1 O2 ||lithium (NCM811||Li) full cells to deliver excellent temperature resilience and cycling stability over a wide temperature range from -50 °C to +70 °C. More than 66 % of the capacity retention was achieved at -50 °C compared to room temperature. The NCM811||Li pouch cells exhibit high cycling stability under realistic conditions (electrolyte weight to cathode capacity ratio (E/C)≤3.5 g Ah-1 , negative to positive electrode capacity ratio (N/P)≤1.09) at different temperatures.

Influenza activity and regional mortality for non-small cell lung cancer.

Lung cancer is the leading cause of cancer deaths in the United States and worldwide. While influenza illness is known to be particularly dangerous for frail and elderly patients, the relationship between influenza illness and outcomes in patients with cancer remains largely unknown. The Surveillance, Epidemiology, and End Results (SEER) database was queried to identify patients with non-small cell lung cancer (NSCLC) diagnosed between 2009 and 2015. Influenza-like illness (ILI) activity, provided by the Outpatient Influenza-like Illness Surveillance Network of the Center of Disease for Control and Prevention, was merged with the SEER dataset on the state-month level. Regional monthly mortality rates were compared during low versus high flu months in this ecological cohort study. 202,485 patients with NSCLC from 13 SEER-reporting states were included in the analysis. 53 of 1049 state-months (5.1%) had high flu activity. Monthly mortality rates during low and high flu months were 0.041 (95% CI 0.041-0.042) and 0.051 (95% CI 0.050-0.053), respectively (RR 1.24 [95% CI 1.21-1.27]). The association between ILI activity and mortality was observed at the individual state level and in all clinical and regional subgroups. Increased regional influenza activity is associated with higher mortality rates for patients with NSCLC. Vaccine-directed initiatives and increased awareness amongst providers will be necessary to address the growing but potentially preventable burden of influenza-related lung cancer deaths in the U.S.

Zinc excess impairs Mycobacterium bovis growth through triggering a Zur-IdeR-iron homeostasis signal pathway.

Zinc excess is toxic to bacteria and, thus, represents an important innate defense mechanism of host cells, especially against mycobacterial infections. However, the signaling pathway triggered by zinc excess and its relationship with iron homeostasis remain poorly understood in mycobacteria. Here, we characterize a novel Zur-IdeR-iron homeostasis signaling pathway that modulates the growth of Mycobacterium bovis under zinc toxicity. We found that the regulator Zur interacts with the iron-homeostasis regulator IdeR, enhancing the DNA-binding ability of IdeR. Excess zinc disrupts this interaction and represses ideR transcription through Zur, which promotes the expression of iron uptake genes and leads to the accumulation of intracellular iron in M. bovis. The elevated iron levels lower the bacterial survival ability under excess zinc stress. Consistently, deleting zur hinders intracellular iron accumulation of M. bovis and enhances bacterial growth under stress, while silencing ideR impairs the growth of the wild-type and zur-deleted strains under the same conditions. Interestingly, both Zur and IdeR are conserved in bacteria facing zinc toxicity. Overall, our work uncovers a novel antimicrobial signal pathway whereby zinc excess disrupts iron homeostasis, which may deepen our understanding of the crosstalk mechanism between iron and zinc homeostasis in bacteria.IMPORTANCEAs a catalytic and structural cofactor of proteins, zinc is essential for almost all living organisms. However, zinc excess is toxic and represents a vital innate immunity strategy of macrophages to combat intracellular pathogens, especially against mycobacterial pathogens such as Mycobacterium tuberculosis, the causative agent of tuberculosis. Here, we first characterize an antibacterial signaling pathway of zinc excess and its relationship with iron homeostasis in M. bovis. We found that excess zinc inhibits the transcription of ideR and its DNA-binding activity through Zur, which, in turn, promotes the expression of iron uptake genes, causes intracellular iron accumulation, and finally impairs the bacterial growth. This study reveals the existence of the Zur-IdeR-iron homeostasis pathway triggered by zinc excess in M. bovis, which will shed light on the crosstalk mechanisms between zinc and iron homeostasis in bacteria and the antimicrobial mechanisms of host-mediated zinc toxicity.

The recent developments of camptothecin and its derivatives as potential anti-tumor agents.

This review article focuses on the research progress made in the structural modifications of camptothecin (CPT), a potent cytotoxic natural alkaloid. CPT possesses a unique 5-fused ring structure and exhibits various beneficial activities such as anti-proliferative, anti-fungal, insecticidal, and anti-SARS-CoV-2 properties. CPT and its analogs, including Topotecan and Irinotecan, have been successfully developed and marketed as topoisomerase I inhibitors. To enhance the therapeutic potential of CPT, researchers have undertaken structural modifications primarily on the A, B, and E rings of the CPT core structure. These modifications aim to improve the efficacy, selectivity, and pharmacokinetic properties of CPT derivatives. The article reviews the advancements in hybridizing CPT with other bioactive compounds, the synthesis of novel CPT analogs, and their associated biological activities. Moreover, the structure-activity relationship (SAR) of these modified CPT derivatives is summarized to gain insights into their structure-function correlations. In addition to discussing the modifications and biological activities of CPT derivatives, the article also touches upon the mechanism of parent drug release. Many CPT derivatives are prodrugs, meaning they require metabolic activation to generate the active form of the drug. It is a resource for researchers interested in developing novel anti-tumor agents based on CPT, addressing the limitations associated with the parent drug, and exploring various aspects of CPT modifications.

Directing (110) Oriented Lithium Deposition through High-flux Solid Electrolyte Interphase for Dendrite-free Lithium Metal Batteries.

Controlling lithium (Li) electrocrystallization with preferred orientation is a promising strategy to realize highly reversible Li metal batteries (LMBs) but lack of facile regulation methods. Herein, we report a high-flux solid electrolyte interphase (SEI) strategy to direct (110) preferred Li deposition even on (200)-orientated Li substrate. Bravais rule and Curie-Wulff principle are expanded in Li electrocrystallization process to decouple the relationship between SEI engineering and preferred crystal orientation. Multi-spectroscopic techniques combined with dynamics analysis reveal that the high-flux CF3 Si(CH3 )3 (F3 ) induced SEI (F3 -SEI) with high LiF and -Si(CH3 )3 contents can ingeniously accelerate Li+ transport dynamics and ensure the sufficient Li+ concentration below SEI to direct Li (110) orientation. The induced Li (110) can in turn further promote the surface migration of Li atoms to avoid tip aggregation, resulting in a planar, dendrite-free morphology of Li. As a result, our F3 -SEI enables ultra-long stability of Li||Li symmetrical cells for more than 336 days. Furthermore, F3 -SEI modified Li can significantly enhance the cycle life of Li||LiFePO4 and Li||NCM811 coin and pouch full cells in practical conditions. Our crystallographic strategy for Li dendrite suppression paves a path to achieve reliable LMBs and may provide guidance for the preferred orientation of other metal crystals.

Privileged fragment-based design, synthesis and in vitro antitumor activity of imatinib analogues.

Based on the privileged fragment-based drug design strategy, a series of imatinib analogues bearing the moiety of 3-(2-amino-2-oxoacetyl)-1H-indole were designed and synthesized, and the in vitro antitumor activity of these compounds was detected by MTT method using K562 (human myeloid leukemia) and K562R (imatinib-resistant chronic myeloid leukemia) cell lines. Molecular docking was used to preliminarily explain the possible binding modes. The most potent compound I2 exhibited better antitumor activity than those of imatinib against K562 and K562R cancer cells with IC50 values of 0.8 µM and 0.7 µM.

Emerging electrolytes with fluorinated solvents for rechargeable lithium-based batteries.

Electrolytes that can ensure the movement of ions and regulate interfacial chemistries for fast mass and charge transfer are essential in many types of electrochemical energy storage devices. However, in the emerging energy-dense lithium-based batteries, the uncontrollable side-reactions and consumption of the electrolyte result in poor electrochemical performances and severe safety concerns. In this case, fluorination has been demonstrated to be one of the most effective strategies to overcome the above-mentioned issues without significantly contributing to engineering and technical difficulties. Herein, we present a comprehensive overview of the fluorinated solvents that can be employed in lithium-based batteries. Firstly, the basic parameters that dictate the properties of solvents/electrolytes are elaborated, including physical properties, solvation structure, interface chemistry, and safety. Specifically, we focus on the advances and scientific challenges associated with different solvents and the enhancement in their performance after fluorination. Secondly, we discuss the synthetic methods for new fluorinated solvents and their reaction mechanisms in depth. Thirdly, the progress, structure-performance relationship, and applications of fluorinated solvents are reviewed. Subsequently, we provide suggestions on the solvent selection for different battery chemistries. Finally, the existing challenges and further efforts on fluorinated solvents are summarized. The combination of advanced synthesis and characterization approaches with the assistance of machine learning will enable the design of new fluorinated solvents for advanced lithium-based batteries.

Influence of the impoundment of the Three Gorges Reservoir on hydrothermal conditions for fish habitat in the Yangtze River.

The thermal regimes of rivers play an important role in the overall health of aquatic ecosystems. Modifications to water temperature regimes resulting from dams and reservoirs have important consequences for river ecosystems. This study investigates the impacts of the impoundment of the Three Gorges Reservoir (TGR) on the water temperature regime of fish spawning habitats in the middle reach of the Yangtze River, China. Mike 11 model is used to analyze the temporal and spatial variation of water temperatures of the expanse of 400 km along the river, from Yichang to Chenglingji. The water temperature alterations caused by the operation of the TGR are assessed with river temperature metrics. The impact on spawning habitats due to water temperature variation was also discussed in different impoundments of the TGR. The results show that the TGR has significantly altered the downstream water temperature regime, affecting the baseline deviation and phase shift of the water temperature. Such impacts on the thermal regime of the river varied with the impoundment level. The effects of the TGR on the water temperature regime decreased as the distance from the structure to the sample site increased. The water temperature regime alterations have led to the delay of the spawning times of the four famous major carp (FFMC) species. The results could be used to identify the magnitudes of water temperature alterations induced by reservoirs in the Yangtze River and provide useful information to design ecological operations for the protection of river ecosystem integrity in regulated rivers.

Mapping hierarchical networks of poly(vinyl alcohol)/cellulose nanofiber composite hydrogels via viscoelastic probes.

Discriminating the roles of different networks in the multiply cross-linked hydrogels is vital to optimize their overall performance. Poly(vinyl alcohol)/cellulose nanofiber composite hydrogels were used as template for the study. Three types of characteristic networks, including chemical network cross-linked with boronic ester bonds, physical network cross-linked with microcrystallites, and coexistence of these two networks, were constructed in the system, and the viscoelastic responses were used to detect the characteristic relaxation behavior of those networks. The physical network is more sensitive to stress-induced deformation, whereas the chemical network more sensitive to strain-induced one. The former has lower level of viscous dissipation and higher level of elastic storage as compared to the latter, and dominates linear viscoelasticity of hydrogels as the two networks coexist. Their synergistic effect can be well defined by the scaling behavior of hysteretic work. This work proposes an interesting method of probing networks in the multiply cross-linked hydrogels.

Effects of conventional and heated tobacco product smoking on discoloration of artificial denture teeth.

STATEMENT OF PROBLEM: Cigarette smoke can cause discoloration of artificial denture teeth. However, studies on the effects of heated tobacco product smoke on artificial denture teeth are lacking. PURPOSE: The purpose of this in vitro study was to evaluate the effects of conventional cigarette and heated tobacco product smoke on the color stability of artificial denture teeth. MATERIAL AND METHODS: Ninety maxillary central incisor denture teeth (Endura Anterior HC5 A3; Shofu) were randomly divided into 3 groups (n=30). Teeth in the control group were exposed to air; those in group CC were exposed to conventional cigarette (Marlboro Medium; Philip Morris) smoke, and those in group HT were exposed to heated tobacco product (IQOS 2.4 plus holder, Marlboro Heets Silver; Philip Morris) smoke. Before the experiment, the shade of the artificial denture teeth was evaluated in accordance with the Commission International de I'Eclairage (CIELab) color system by using a spectrophotometer (Shadepilot; DeguDent GmbH). The average CIELab value was estimated by scanning the entire labial surface of each specimen. To simulate smoking, standard conditions described by the Coresta Recommended Method N°22 were used-the puff duration was 2 seconds, with a 60-second interval between puffs. For each cigarette, 6 puffs and 6 intervals were simulated across 372 seconds. A total of 105 cigarettes were used based on a smoking simulation of 15 cigarettes each day for 7 days. The teeth in the control group were stored in fresh air in the smoke chamber for the same period as those in the experimental groups. After the experiment, L∗, a∗, and b∗ values were measured, and ΔE was calculated to evaluate the color change. All statistical analyses were performed with a statistical software program using a paired t test to determine discoloration after exposure to cigarette smoke. One-way ANOVA and the Tukey test were used to evaluate the significant differences between groups (α=.05). RESULTS: Lightness was significantly lower in the CC and HT groups (P<.001). All CIELab values showed statistically significant differences in the CC group. The greatest color change was observed in the CC group (ΔE=6.93 ±0.59), whereas the HT group showed a clinically imperceptible color change (ΔE=0.79 ±0.21). Discoloration was minimal in the CC group (ΔE=0.34 ±0.13). CONCLUSIONS: Conventional cigarette and heated tobacco product smoke can change the color of denture teeth. Heated tobacco product smoke causes less discoloration of denture teeth.

Insight into melting point depression of polylactide nanocomposites with acetylated chitin nanocrystals.

Chitin nanocrystal (ChNC) was used to prepare fully biodegradable nanocomposites with polylactide (PLA). The nucleation and melting behavior of nanocomposites were studied with the objective to correlate PLA-ChNC affinity to PLA crystallization. The results disclose that the PLA nanocomposites with pristine ChNCs and the ones with acetylated ChNCs show completely different nucleation and melting behavior because the role of ChNCs is altered after acetylation. Pristine ChNC acts as inert filler, with weak nucleating activity, while acetylated ChNCs as anti-nucleation agent, restraining crystallization of PLA. Accordingly, the nanocomposites with acetylated ChNCs show melting point depression, with reduced nucleation capability. The recrystallization and self-nucleation, as well as the double-melting behaviors were then studied in terms of acetylation levels of ChNCs and annealing temperatures, in order to better understand the relations between two-phase affinity and PLA chain dynamics. This work provides interesting information around designing thermal properties of the ChNC-filled PLA nanocomposites.

Iron Selenide Microcapsules as Universal Conversion-Typed Anodes for Alkali Metal-Ion Batteries.

Rechargeable alkali metal-ion batteries (AMIBs) are receiving significant attention owing to their high energy density and low weight. The performance of AMIBs is highly dependent on the electrode materials. It is, therefore, quite crucial to explore suitable electrode materials that can fulfil the future requirements of AMIBs. Herein, a hierarchical hybrid yolk-shell structure of carbon-coated iron selenide microcapsules (FeSe2 @C-3 MCs) is prepared via facile hydrothermal reaction, carbon-coating, HCl solution etching, and then selenization treatment. When used as the conversion-typed anode materials (CTAMs) for AMIBs, the yolk-shell FeSe2 @C-3 MCs show advantages. First, the interconnected external carbon shell improves the mechanical strength of electrodes and accelerates ionic migration and electron transmission. Second, the internal electroactive FeSe2 nanoparticles effectively decrease the extent of volume expansion and avoid pulverization when compared with micro-sized solid FeSe2 . Third, the yolk-shell structure provides sufficient inner void to ensure electrolyte infiltration and mobilize the surface and near-surface reactions of electroactive FeSe2 with alkali metal ions. Consequently, the designed yolk-shell FeSe2 @C-3 MCs demonstrate enhanced electrochemical performance in lithium-ion batteries, sodium-ion batteries, and potassium-ion batteries with high specific capacities, long cyclic stability, and outstanding rate capability, presenting potential application as universal anodes for AMIBs.

Blowing Iron Chalcogenides into Two-Dimensional Flaky Hybrids with Superior Cyclability and Rate Capability for Potassium-Ion Batteries.

Chalcogenide-based anodes are receiving increasing attention for rechargeable potassium-ion batteries (PIBs) due to their high theoretical capacities. However, they usually exhibit poor electrochemical performance due to poor structural stability, low conductivity, and severe electrolyte decomposition on the reactive surface. Herein, a method analogous to "blowing bubbles with gum" is used to confine FeS2 and FeSe2 in N-doped carbon for PIB anodes with ultrahigh cyclic stability and enhanced rate capability (over 5000 cycles at 2 A g-1). Several theoretical and experimental methods are employed to understand the electrodes' performance. The density functional theory calculations showed high affinity for potassium adsorption on the FeS2 and FeSe2. The in situ XRD and ex situ TEM analysis confirmed the formation of several intermediate phases of the general formula KxFeS2. These phases have high conductivity and large interlayer distance, which promote reversible potassium insertion and facilitate the charge transfer. Also, the calculated potassium diffusion coefficient during charge/discharge further proves the enhanced kinetics. Furthermore, The FeS2@NC anode in a full cell also exhibits high cyclic stability (88% capacity retention after 120 cycles with 99.9% Coulombic efficiency). Therefore, this work provides not only an approach to overcome several challenges in PIB anodes but also a comprehensive understanding of the mechanism and kinetics of the potassium interaction with chalcogenides.

Surface chain engineering of chitin nanocrystals towards tailoring the nucleating capacities for poly(ß-hydroxybutyrate).

Chitin nanocrystal (ChNC) is good nucleation agent for aliphatic polyesters because of its high-energy surface. To moderate its nucleation activity, silane coupling agents with different chain lengths or functional groups were used to modify ChNCs in this work, and biodegradable poly(ß-hydroxybutyrate) (PHB) was used as target polymer for crystallization study. Surface coupling of ChNCs improves their phase adhesion to PHB chain and weakens their nucleation activities. The alterations strongly depend on the surface chain structure of ChNCs: sulfhydryl silane-coupled ChNC shows lowered nucleation activity, whereas amino silane-coupled ChNCs even become antinucleation agents. The interfacial compatibility is vital to altered role of ChNCs and to following changes in spherulite growth and ring-banded morphology, which is further disclosed using Flory-Huggins interaction parameters and rheological responses as probes. This work provides useful information on tailoring the functions of ChNCs as nanoadditive for biodegradable aliphatic polyesters by the way of surface chain engineering.

Water temperature forecasting based on modified artificial neural network methods: Two cases of the Yangtze River.

Water temperature is a controlling indicator of river habitat since many physical, chemical and biological processes in rivers are temperature dependent. Highly precise and reliable predictions of water temperature are important for river ecological management. In this study, a hybrid model named BP_PSO3, based on the BPNN (back propagation neural network) optimized by the PSO (particle swarm optimization) algorithm, is proposed for water temperature prediction using air temperature (Ta), discharge (Q) and day of year (DOY) as input variables. The performance of the BP_PSO3 model was compared with that of the BP_PSO1 (with Ta as the input) and BP_PSO2 (with Ta and Q as the inputs) models to evaluate the importance of the inputs. In addition, a comparison among the BPNN, RBFNN (radial basis function neural network), WNN (wavelet neural network), GRNN (general regression neural network), ELMNN (Elman neural network), and BP_PSO-based models was carried out based on the MAE, RMSE, NSE and R2. The eight artificial intelligence models were examined to predict the water temperature at the Cuntan and Datong stations in the Yangtze River. The results indicated that the hybrid BPNN-PSO3 model had a stronger ability to forecast water temperature under both normal and extreme drought conditions. Optimization by the PSO algorithm and the inclusion of Q and DOY could help capture river thermal dynamics more accurately. The findings of this study could provide scientific references for river water temperature forecasting and river ecosystem protection.

Improved comprehensive ecological risk assessment method and sensitivity analysis of polycyclic aromatic hydrocarbons (PAHs).

Based on the existing comprehensive ecological risk assessment methods of PAHs, this paper proposed an improved hierarchical Archimedean copula integral assessment (HACIA) model with the optimization in the model selection mechanism and accelerating the calculation speed, and according to which performed the sensitivity analysis of the integrated risk relative to the underlying grouped risk probability. Taihu Lake in China and the Bay of Santander in Spain were taken as study areas, whose samples were obtained and extracted concentrations of 16 priority polycyclic aromatic hydrocarbons (PAHs). After briefly analyzing their concentration characteristics and source, their comprehensive ecological risks were evaluated by the improve HACIA model and their sensitivity was also analyzed. The results proved that, for Taihu Lake, pyrogenic sources occupied the dominance, especially grass, coal and wood combustion, while the risk proportion of 5-rings PAHs was the lowest indeed based on the improved HAICA model. For the Bay of Santander, source apportionment indicated both petrogenic and pyrogenic sources, mainly from vehicle emissions including gasoline and diesel engines, and 4-ring PAHs were urgently needed to be managed. However, the sensitivity analysis results of two study areas showed that the most effective control target for reducing integral risk has no obvious relationship with the maximum grouped risk. And a clear linear relationship between the maximum sensitivity range and the logarithm of the initial overall risk only presented in one of study areas, which required further research to clarify. In brief, the improved HACIA model is helpful to evaluate the comprehensive ecological risk of 16 PAHs, and formulate risk management strategies based on grouped risk assessment and sensitivity analysis, with the former points out the admonitory risk and the latter helps to find the most effective mitigation measures.