Powering the Future by Iron Sulfide Type Material (FexSy) Based Electrochemical Materials for Water Splitting and Energy Storage Applications: A Review.

Water electrolysis is among the recent alternatives for generating clean fuels (hydrogen). It is an efficient way to produce pure hydrogen at a rapid pace with no unwanted by-products. Effective and cheap water-splitting electrocatalysts with enhanced activity, specificity, and stability are currently widely studied. In this regard, noble metal-free transition metal-based catalysts are of high interest. Iron sulfide (FeS) is one of the essential electrocatalysts for water splitting because of its unique structural and electrochemical features. This article discusses the significance of FeS and its nanocomposites as efficient electrocatalysts for oxygen evolution reaction (OER), hydrogen evolution reaction (HER), oxygen reduction reaction (ORR), and overall water splitting. FeS and its nanocomposites have been studied also for energy storage in the form of electrode materials in supercapacitors and lithium- (LIBs) and sodium-ion batteries (SIBs). The structural and electrochemical characteristics of FeS and its nanocomposites, as well as the synthesis processes, are discussed in this work. This discussion correlates these features with the requirements for electrocatalysts in overall water splitting and its associated reactions. As a result, this study provides a road map for researchers seeking economically viable, environmentally friendly, and efficient electrochemical materials in the fields of green energy production and storage.

Water scarcity in the Kingdom of Saudi Arabia.

Saudi Arabia (SA) is one of the world's arid, most water-scarce nations without permanent water resources. The purpose of this article is to provide a comprehensive overview of Saudi Arabia's water resources availability and reliability in terms of water supply, demand, and the major challenges that water faces. Saudi has an annual water supply of roughly 89.5 m3 per person as consumption is rising in parallel with the country's rapid population growth and development. SA produces the most desalinated seawater in the world, accounting for 22% of worldwide consumption. Due to changes in agricultural demand, Saudi Arabia's overall water needs in 2020 were 15.98 BCM. Apart from agricultural use, the food industry utilizes up to 80% of freshwater supplies, with only around 20% of rain recharging the aquifer, meaning that the region will still be water-stressed by 2025. In addition to wastewater reuse, water expenses should be split between private investors and the government, and water losses in cities should be collected and recycled. Water development projects must also be safeguarded and have long-term viability for the community's future and well-being. Despite previous conservation efforts (public awareness campaigns, television and other public media messages, drip irrigation, and so on), more work is required, including improving water resource infrastructure, implementing environmental use of friendly technologies, and increasing economic feasibility, social acceptability, and management in light of the Sustainable Development Goals (SDG).

[Hydrochemical Characteristics, Controlling Factors and Water Quality Evaluation of Shallow Groundwater in Tan-Lu Fault Zone （Anhui Section）].

To study the hydrochemical characteristics, controlling factors, and groundwater quality of the Tan-Lu fault zone (Anhui section), 86 groundwater samples were taken from the areas surrounding the Tan-Lu fault zone (Anhui section), which included the Jianghuai Wavy Plain, the Yanjiang Hill Plain, and the Dabie Mountains in western Anhui. Descriptive statistics, Piper diagram, Gibbs diagram, ion ratio analysis, saturation index, chloride-alkalinity index, and entropy weight water quality index (EWQI) were used to comprehensively study the hydrochemical characteristics and controlling factors of groundwater and to evaluate its quality. The results showed that the shallow groundwater in the Tan-Lu fault zone (Anhui section) was weakly alkaline, with dominant anions and cations of HCO3-, Ca2+ and Na+, respectively, and the hydrochemical types were mainly HCO3-Ca·Mg and HCO3-Na·Ca. The solute source of groundwater was mainly controlled by water-rock interactions, and the weathering of silicate and carbonate rocks jointly contributed to the formation of the chemical components of groundwater. Strong cation exchange adsorption was an important factor causing Na+ enrichment. The overall quality of groundwater in the study area was good but was polluted to a certain extent by human activities. Most of the groundwater in the Jianghuai Wavy Plain and Yanjiang Hill Plain was not suitable for direct drinking. The results of this research have important implications for the sustainable development and utilization of shallow groundwater resources and environmental protection in the Tan-Lu fault zone (Anhui section).

A holistic approach for performance evaluation of wastewater treatment plants: integrating grey water footprint and life cycle impact assessment.

Wastewater treatment plants (WWTPs) have positive and negative impacts on the environment. Therefore, life cycle impact assessment (LCIA) can provide a more holistic framework for performance evaluation than the conventional approach. This study added water footprint (WF) to LCIA and defined ϕ index for accounting for the damage ratio of carbon footprint (CF) to WF. The application of these innovations was verified by comparing the performance of 26 WWTPs. These facilities are located in four different climates in Iran, serve between 1,900 and 980,000 people, and have treatment units like activated sludge, aerated lagoon, and stabilization pond. Here, grey water footprint (GWF) calculated the ecological impacts through typical pollutants. Blue water footprint (BWF) included the productive impacts of wastewater reuse, and CF estimated CO2 emissions from WWTPs. Results showed that GWF was the leading factor. ϕ was 4-7.5% and the average WF of WWTPs was 0.6 m3/ca, which reduced 84%, to 0.1 m³/ca, through wastewater reuse. Here, wastewater treatment and reuse in larger WWTPs, particularly with activated sludge had lower cumulative impacts. Since this method takes more items than the conventional approach, it is recommended for integrated evaluation of WWTPs, mainly in areas where the water-energy nexus is a paradigm for sustainable development.

Evaluation of water resources security in Anhui Province based on GA-BP model.

Water resources security is an important cornerstone of regional sustainable development, but the current evaluation system of water resources security is not scientific, and the measurement of safety level has not been optimized by combining algorithms. In this paper, indicators are selected according to the actual situation in Anhui Province. Firstly, correlation analysis (CA) and principal component analysis (PCA) are used to reduce the dimensionality of indicators, and then, the scientific evaluation is carried out based on genetic algorithm optimized back propagation neural network (GA-BP). This paper improves the generalization ability of the evaluation model and overcomes the shortcomings of the traditional model, which is slow in convergence and easy to fall into local optimality. The results showed that the water resources security level showed an obvious improvement trend from 2006 to 2020 and stabilized at a relatively safe level from 2014 to 2020. The subsystem of water resources environmental security is the least secure, followed by the subsystem of social and economic security, and the security of water resources regulation and response is basically stable at a relatively safe level. The conclusion of this study can provide decision-making basis for the relevant research of government, society, and scientific community.

Habitat Suitability and Determinants for Anatidae in Multi-Watershed Composite Wetlands in Anhui, China.

Habitat suitability analysis is essential in habitat and species conservation. Anatidae are known for their migratory behaviour, high population density, and wide distribution range. Understanding their habitat utilzation and influencing factors is crucial in targeted conservation and management. In this study, we collected Anatidae diversity data, including the number of species, through field surveys from October 2021 to March 2022 and thirty habitat variables through an online database in Anhui Province, China. By using MaxEnt, we simulated the habitat suitability of twenty-one Anatidae species, revealing potential distribution sites in Anhui Province. Generalized linear mixed models (GLMM) were employed to identify factors affecting the distribution of geese and ducks. The results showed that high-suitability habitats were predominantly located in the large lakes of the Yangtze River floodplain. The GLMM analysis showed significant correlations between Anatidae richness and altitude, distribution of farmland, and human footprint. In addition, ducks were more sensitive to the human interference factor than geese. In summary, the lakes in the Yangtze River floodplain emerged as the most important Anatidae habitats in Anhui Province due to their abundant wetland resources, flat terrain, and high distribution of farmlands. These findings provide a scientific basis for the development of relevant conservation strategies and measures, aiding in wildlife epidemic monitoring, prevention, and control.

Sustainable efficiency in cities in China-An interaction model among water, energy, and industry.

With the inclusion of "Building Inclusive, safe, Resilient and Sustainable Cities and human Settlements" (SDG11) in the United Nations Sustainable Development Goals (SDGS), the movement to promote sustainable development from an urban perspective is growing globally. Many studies examine urban sustainability efficiency from multiple dimensions, but scant attention targets the interaction among various dimensions. This research combines the water-energy-industry subsystem to evaluate the sustainable development performance of 29 provinces in China from 2018 to 2020. The results show that 1) a water system plays an important role in promoting a city's overall sustainable performance. 2) Urban sustainable efficiency has the characteristics of low value aggregation and high value dispersion in space. 3) Regional and sub-system sustainability efficiencies exhibit clear heterogeneity. 4) Rainfall improves the sustainable efficiency of cities, mainly through water systems. 5) The coupling between water and industrial subsystems is better than that between energy and industrial subsystems, and the coupling between the central region subsystem is the best. This paper offers a new perspective for understanding the current state of sustainability in China's provinces and provides more specific suggestions for improving regional sustainability efficiency in the future.

Coordinated dynamics of aquaculture ponds and water eutrophication owing to policy: A case of Jiangsu province, China.

Aquaculture ponds (APs) are rapidly expanding globally and are considered crucial for guaranteeing the supply of food, population growth, and economic development. However, the rapid expansion of aquaculture not only brought benefits but also a series of eco-environmental issues, such as water eutrophication. To achieve sustainable development, it is essential to gain a profound understanding of the spatiotemporal evolution of APs, the drivers behind their dynamics, and their relationship with the aquatic environment. Jiangsu Province (JS) in China, a historically significant aquaculture region, encompasses two prominent river basins: the Huai River Basin (HRB) and the Yangtze River Basin (YRB). In light of the construction of an ecological civilization, JS serves as a demonstration and pioneering area for basin protection and development. Therefore, this study focuses on JS, aiming to elucidate the spatiotemporal dynamics of APs, the corresponding relationship with basin management policies, and the impact on water eutrophication. The results revealed that: (1) in 2022, APs in JS were unevenly distributed, with a total area of 3278.78 km2, of which 79 % was located in the HRB. (2) During 2016-2022, APs exhibited an initial growth trend before 2019, followed by a decrease. (3) Due to policy interventions, AP changes within different basins showed opposite trends, and the corresponding water eutrophic state aligned with AP dynamics. The findings of this study can serve as a typical case to provide scientific evidence for the formulation and implementation of policies to improve the water environment in eutrophic basins.

Assessing the functionality of a water-vending kiosk network with high-frequency instrumentation in Freetown, Sierra Leone.

Access to safe, reliable, and equitable water services in urban settings of low- and middle-income countries remains a critical challenge toward achieving Sustainable Development Goal 6.1, but progress has either slowed or stagnated in recent years. A pilot water kiosk network funded by the United States Millennium Challenge Corporation was implemented by the Sierra Leone Millennium Challenge Coordinating Unit into the intermittent piped water distribution network of Freetown, Sierra Leone, as a private-public partnership to improve water service provision for households without reliable piped water connections and to reduce non-revenue water. This study employs the use of high-frequency instrumentation to monitor, model, and assess the functionality of this water kiosk network over 2,947 kiosk-days. Functionality was defined via functionality levels on a daily basis through monitored stored water levels and modeled water withdrawals. The functionality levels across the kiosk network were found to be 34% operational, 30% offline, and 35% empty. Statistically significant (p<0.001) determinants of functionality were found for several predictors across the defined thresholds. Finally, modeling of water supply, water demand and withdrawal capacity, and water storage was conducted to further explain findings and provide additionally externally relevant support for kiosk operations.

Evaluation of sustainable development capacity of water sources: a case study of China.

The issue of water scarcity has drawn attention from all over the world. The coordination of the interaction between ecological and environmental development of water sources and socio-economic development is currently an essential issue that needs to be solved in order to safeguard the water resources environment for human survival. In this essay, we suggest a paradigm for assessing the sustainable exploitation of water resources. First, three ecological, economic, and social factors are investigated. Twenty essential evaluation indexes are then constructed using the Delphi approach, along with an index system for assessing the potential of water sources for sustainable development. The weights of each evaluation index were then determined using the combination assignment approach, which was then suggested. The coupled degree evaluation model of the capability for sustainable development of water sources was then developed. In order to confirm the viability and validity of the suggested model, the model was used to assess the Liwu River water source's capacity for sustainable growth in the context of the South-North Water Transfer in Shandong, China. It is believed that the aforementioned study would serve as a helpful resource when evaluating the capacity of water sources for sustainable development.

Assessing the impact of agriculture, coal mining, and ecological restoration on water sustainability in the Mu Us Sandyland.

Balancing water demand for socio-economic development and ecosystem stability presents a challenge for regional sustainable management, especially in drylands. Previous studies have indicated that large-scale ecological restoration projects (ERPs) lead to a decline in terrestrial water storage (TWS) in the Mu Us Sandyland (MUS). However, the effects of other human activities (e.g., cropland reclamation, coal mining) on water resources remain unclear, raising concerns regarding water crisis and human-natural system sustainability. Through the utilization of coal mine location data, we found that the impact of coal mass loss on the Gravity Recovery and Climate Experiment (GRACE) products cannot be ignored in MUS, especially in the coal-rich northeastern part. Combining these data with auxiliary datasets, we observed a significant (p < 0.05) decrease in TWS (-0.85 cm yr-1) and groundwater storage (GWS, -0.95 cm yr-1) in the MUS, with human activities accounting for 79.23 % of TWS and 90.45 % of GWS reductions, primarily due to increased agricultural and industrial water consumption. Agricultural water consumption increased 2.23 times from 2001 to 2020, attributed to enhanced water use intensity (62.6 %) and cropland expansion (37.4 %). Industrial water consumption in Shenmu, a representative coal county, experienced a 4.16-fold rise between 2001 and 2020. Despite these challenges, local governments have alleviated water stress, ensured food security, and increased household income by comprehensive management strategies, such as enhancing water-saving technology and enforcing stringent policies. Previous studies have overestimated the amount of water resources consumed by ERPs. However, ERPs has played a critical role in stabilizing the regional ecological environment and ensuring the region as a vital food and energy supplier. Our findings can guide for socio-economic development and water management policies in similar regions.

Open Water Swimming in Elite Triathletes: Physiological and Biomechanical Determinants.

This study aimed (i) to analyze the 1500 m open water swimming performance, (ii) to examine the associations between physiological and biomechanical variables with swimming performance, and (iii) to determine which variables can predict swimming performance in triathletes. Fourteen elite triathletes (23.4±3.8 y) performed a 1500 m test in open water swimming conditions. Swimming performance was assessed using World Aquatics Points Scoring, and data were obtained from the 1500 m open water swimming test. Heart rate, end-exercise oxygen uptake (EE˙VO2) and blood lactate concentrations were measured. The initial 250 m of the 1500 m swimming test presented the highest values of biomechanical variables in males (i. e. swimming speed, stroke rate (SR), length (SL), index (SI)). A decrease in SL was observed in the last 250 m in both sexes. Positive association were found between EE˙VO2 (r=0.513; p=0.030), swimming speed (r=0.873; p<0.001) and SI (r=0.704; p=0.002) with swimming performance. In contrast, time constant of the oxygen uptake (r=-0.500; p=0.034) and buoy-turn times (r=-0.525; p=0.027) were negatively associated with performance. SI was the main predictor (R 2=0.495) of open water swimming performance in triathletes. In conclusion, triathletes and coaches must conduct open water training sessions to maximize SI (i. e. swimming efficiency).

Food-Energy-Water Nexus in compliance with Sustainable Development Goals for integrating and managing the core environmental verticals for sustainable energy and circular economy.

Food, energy, and water resources are intricately interconnected, and nexus provides a holistic approach for addressing these complex links to minimize inefficiencies and waste. Nexus approach and circular economy are considered as effective solutions for sustainability. Quantification of these relations is the first step towards incorporating nexus modeling which helps sustainable production and consumption. For achieving the Sustainable Development Goals, understanding and effectively managing the FEW nexus becomes imperative. With an integral performance perspective, there is a need to address the interdependencies and trade-offs among food, energy, and water systems and challenges of economic, social and environmental sustainability. The aim of this study is to provide a comprehensive analysis of the FEW nexus, identify key opportunities and challenges, and propose integrated strategies for managing these core environmental verticals sustainably. The study addresses the accomplishment of these goals through nexus approaches and outlines the need for technological advancements for shared benefits among resources, contributing to conceptual development of nexus and circular economy. The results highlight the critical importance of adopting a nexus approach to advance sustainable development goals, enhance resource efficiency, and promote synergistic solutions across food, energy, and water systems.

Performance of water indices for large-scale water resources monitoring using Sentinel-2 data in Ethiopia.

Evaluating the performance of water indices and water-related ecosystems is crucial for Ethiopia. This is due to limited information on the availability and distribution of water resources at the country scale, despite its critical role in sustainable water management, biodiversity conservation, and ecosystem resilience. The objective of this study is to evaluate the performance of seven water indices and select the best-performing indices for detecting surface water at country scale. Sentinel-2 data from December 1, 2021, to November 30, 2022, were used for the evaluation and processed using the Google Earth Engine. The indices were evaluated using qualitative visual inspection and quantitative accuracy indicators of overall accuracy, producer's accuracy, and user's accuracy. Results showed that the water index (WI) and automatic water extraction index with shadow (AWEIsh) were the most accurate ones to extract surface water. For the latter, WI and AWEIsh obtained an overall accuracy of 96% and 95%, respectively. Both indices had approximately the same spatial coverage of surface water with 82,650 km2 (WI) and 86,530 km2 (AWEIsh) for the whole of Ethiopia. The results provide a valuable insight into the extent of surface water bodies, which is essential for water resource planners and decision-makers. Such data can also play a role in monitoring the country's reservoirs, which are important for the country's energy and economic development. These results suggest that by applying the best-performing indices, better monitoring and management of water resources would be possible to achieve the Sustainable Development Goal 6 at the regional level.

Bioinspired Stevia rebaudiana Green Zinc Oxide Nanoparticles for the Adsorptive Removal of Antibiotics from Water.

Green zinc oxide nanoparticles (ZnO NPs) synthesized using Stevia rebaudiana as a reducing agent were investigated as ecofriendly adsorbents for the removal of the antibiotics ciprofloxacin (CIP) and tetracycline (TET) from water. Green ZnO NPs were synthesized using a rapid novel approach that did not require annealing or calcination at high temperatures to produce mesoporous NPs with a size range of 37.36-71.33 nm, a specific surface area of 15.28 m2/g, and a negative surface charge of -15 mV at pH 5. The green ZnO NPs exhibited an antioxidant activity of 85.57% at 250 µg/mL and an antibacterial activity with MIC and MBC of 50 and 100 mg/mL, respectively, against both Escherichia coli and Staphylococcus aureus. The best adsorption performance was achieved using a 4 g/L dose and pH 5, yielding, respectively, 86.77 ± 0.82% removal and 27.07 ± 0.26 mg/g adsorption capacity for CIP at 10 mg/L and 67.86 ± 3.41% and 15.88 ± 0.37 mg/g for TET at 25 mg/L. The green ZnO NPs achieved 79.71% ± 0.28 and 61.55% ± 0.53 removal of 10 mg/L CIP and 25 mg/L TET, respectively, in a spiked tap water binary system of the two contaminants. Adsorption of CIP and TET occurred mainly via electrostatic interactions, whereby CIP was bound more strongly than TET by virtue of its charge and size. The synthesis and adsorption processes were evaluated by a stepwise regression statistical model to optimize their parameters. Lastly, the green ZnO NPs were regenerated and reused for 5 cycles, indicating their functionality as simple, reusable, and low-cost adsorbents for the removal of CIP and TET from wastewater, in accordance with SDGs #6 and 12 for the sustainable management of water.

Enhancing Soybean and Maize Yields through Improved Nitrogen and Soil Water Use Efficiencies: A 40-Year Study on the Impact of Farmyard Manure Amendment in Northeast China.

The combined application of manure and chemical fertilizers has been recognized as a critical factor driving significant changes in crop yield and nutrient use efficiency, holding the potential to optimize agricultural management to achieve high yields. In this 40-year study, we investigated the effect of manure amendment on soybean and maize yields, water and nitrogen use efficiencies (WUE and NUE), and water and mineral N storage at 0-100 cm soil depths from 2017 to 2018 to explore the optimization of fertilization management strategies for soybean and maize production in Northeast China. To elucidate the impact of chemical fertilizers and manure, twelve treatments-control (CK); single N fertilizer at a low rate (N1) and that at a high rate (N2); N1, phosphorus (P), and potassium (K) fertilizer (N1PK); manure alone at 13.5 and 27 t ha-1 (M1 and M2); and those combined with N, P, or K fertilizer (M1N1, M1N2, and M1N1PK and M2N1, M2N2, and M2N1PK)-were selected and studied. The results showed that long-term amendment with manure significantly increased crop biomass and yield in the soybean-maize-maize rotation system. Combining with manure increased the WUE, the partial factor productivity of N fertilizer (PFPN), and N physiological efficiency (PEN) in both the soybean and maize seasons; conserved soil water (mainly at 40-60 cm); and increased soil N retention (in the upper 60 cm layer), which reduced the risk of N leaching, with a better effect being observed after the application of 13.5 t ha-1 manure. These results provide insight into the potential of using fertilization management strategies that include amendment with 13.5 t ha-1 manure in combination with N, P, and K fertilizer in the maize season and only chemical fertilizer in the soybean season, as these results indicate that such strategies can achieve high yields and be used to implement agricultural sustainable development in brown soil regions in Northeast China.

Electrochemical Analysis for Total Alkalinity of Water by the Measurement of Cathodic Prepeak of Quinone Caused by Surplus Acid.

In this study, an electrochemical analysis, coupled with the concept of back neutralization titration and the voltammetric determination of surplus acid, is proposed for determining the total alkalinity of water samples. When linear sweep voltammetry of 3,5-di-tert-butyl-1,2-benzoquinone (DBBQ) with H2SO4 in a water and ethanol (44 : 56, v/v) mixture was carried out using a bare glassy carbon working electrode, a cathodic prepeak of DBBQ caused by H2SO4 was observed on the voltammogram at a more positive potential than when compared with the original cathodic peak of DBBQ. When similar voltammetry was carried out in the presence of Na2CO3 and H2SO4, the cathodic prepeak height of DBBQ was decreased with an increase in the Na2CO3 concentration. The decrease of the cathodic prepeak height of DBBQ was found to be linearly related to the Na2CO3 concentration ranging from 0.025 to 2.5 mM (r2 = 0.998). The total equivalent concentrations of inorganic bases in samples of mineral water and tap water were determined, and then the results were converted to the total alkalinities of the water samples (mg/L CaCO3). The total alkalinities of the water samples determined by the present electrochemical analysis were essentially the same compared with those by the neutralization titration method. From these results, we were able to demonstrate that the present electrochemical analysis with accuracy and precision could be applied to determine the total alkalinity, which is one of the indicators to examine water quality. The present electrochemical analysis would contribute to achieving the sustainable development goals (SDGs) of #6 and #14.

Sustainable Development of ZnO Nanostructure Doping with Water Hyacinth-Derived Activated Carbon for Visible-Light Photocatalysis.

Water hyacinth (Wh) is an aquatic weed considered a nuisance in agricultural and fishing activities. Therefore, this study proposed repurposing this plant into activated carbon (AC). First, the ZnO-AC was precipitated and applied as a photocatalyst for degrading methylene blue. The preliminary photocatalytic test under UV irradiation identified the optimum ZnO-AC photocatalyst to degrade methylene blue (MB). The ZnO-AC photocatalyst recorded the highest degradation rate constant of 11.49 × 10-3 min-1, which was almost two-fold higher than that of ZnO (5.55 × 10-3 min-1). Furthermore, photocatalytic degradation of MB and carbaryl under sunlight irradiation by ZnO-AC demonstrated degradation rate constants of 74.46 × 10-3 min-1 and 8.43 × 10-3 min-1, respectively. To investigate the properties of ZnO-AC, several techniques were performed. ZnO-AC and ZnO exhibited similar results in morphology, crystalline structure, and Raman characteristics. However, ZnO-AC presented smaller pore diameters than those of ZnO, which enlarged pore surface area, and the presence of carbon-related groups implied the presence of AC on ZnO-AC surfaces. This can be attributed to the presence of AC on the ZnO surface, increasing the capture of surrounding toxic molecules and elevating the reaction density. This mechanism is attributed to promoting the degradation of toxic molecules. Therefore, using Wh as a carbon source for the transformation of AC can alternatively solve the problems of aquatic weed management and carbon storage strategies, and the application of AC in ZnO-AC photocatalysts can enhance photocatalysis.

Octanol/water partition coefficients estimated using retention times in reverse-phase liquid chromatography and calculated in silico as one of the determinant factors for pharmacokinetic parameter estimations of general chemical substances.

The octanol/water partition coefficient P (logP) is a hydrophobicity index and is one of the determining factors for the pharmacokinetics of orally administered substances because it influences membrane permeability. To illustrate the wide-ranging variety of compounds in the chemical space, a two-dimensional data plot consisting of 25 blocks was previously proposed based on a substance's in silico chemical descriptors. The logP values of approximately 200 diverse chemicals (test plus reference compounds covering all 25 blocks of the chemical space) were estimated experimentally using retention times in reverse-phase liquid chromatography; these values were compared with those of authentic reference compounds with established logP values (available for 17 of 60 reference substances in the Organization for Economic Co-operation and Development Test Guideline 117). The logP values of 140 of 165 chemicals successfully estimated using four different mobile phase conditions (pH 2, 4, 7, and 10 for molecular forms) correlated significantly with those calculated using the in silico packages ChemDraw and ACD/Percepta (r > 0.72). Although substances that neighbored authentic compounds in the chemical space had precisely correlated logP values estimated experimentally and in silico, some compounds that were more distant from authentic substances showed lower logP values than those estimated in silico. These results indicate that additional authentic reference materials with wider ranging chemical diversity and their logP values from reverse-phase liquid chromatography should be included in the international test guidance to promote simple and reliable estimation of octanol/water partition coefficients, which are important determinant factors for the pharmacokinetics of general chemicals.

Effectiveness evaluation of China's water resource tax reform pilot and path optimization from the perspective of policy field.

The water resource tax reform played an important role in promoting sustainable development in China. Subsequent to the seven-year reform, the effectiveness evaluation of the policy in each pilot area and the exploration of the optimization path directly affected the promotion of water resource tax policy and the improvement of water use efficiency. Therefore, the theoretical framework of the water resource tax policy field was constructed to examine the mechanism of the three subsystems of policy scenario, policy orientation, and policy effect; fuzzy-set qualitative comparative analysis (fsQCA) was then used to evaluate and quantitatively compare the policy implementation effect and policy path in each pilot area, with emphasis put on three policy orientations, i.e., the decision and decomposition effect of policy goals, the selection and im plementation effect of policy tools, and the policy supervision and security effect. As shown by the research results: ① the water resource tax reform had effectively improved the efficiency of water resource utilization in the pilot areas; ② three pilot models of water resource tax policy had been extracted, namely the policy goal and tool-driven model centering on a single dimension of the policy field, the implementation-supervision dual drive model emphasizing the supervision and security effect of the policy, and the three-dimensional policy orientation linkage model that focused on the synergistic effect of the policy field; ③ strong heterogeneity existed in water resource tax policy implementation paths and effects in each pilot area. Accordingly, regional heterogeneity could be considered in the process of reform to construct institutionalized, precise, and differentiated reform implementation methods from the perspective of the policy field.