mlsa-iai-msu-lab/ru_sci_bench_zho_cite_reranking huggingface dataset:
Lift the mystery veil on chlorophyllases

Photosystem II (PSII) is a large membrane-protein complex that catalyzes the splitting of water into protons, electrons, and oxygen via harvesting light energy (Johnson, 2016). The reaction center of PSII, operating like an electron pump, is a special pair of chlorophyll a (Chl a), referred to as P680, bound to D1 and D2 subunits, each with its set of electron carriers. Upon absorption of light energy, P680 is excited and donates an electron to the neighboring pheophytin (Pheo), producing a pair of radicals (,P680+ and,Pheo-), called charge separation. The,P680+ radical acquires an electron from a nearby Tyr residue (designated Tyrz or Yz) in subunit D1, generating electronically neutral,Tyrz free radical, which regains its missing electron from water via oxidation of the Mn_4CaO_5 cluster, whereas,Pheo- passes its extra electron to plastoquninone QA and then to QB. The oxydoreduction reaction catalyzed by PSII is known as the most drastic one occurring in life, and thus it is not surprising that PSII is inevitably photodamaged by reactive oxygen species produced at multiple sites of the electron flow from the donor side to the acceptor side even under physiological conditions. The photodamage triggers an intricate process known as the PSII repair cycle, in which PSII first migrates to the stromal thylakoid and partially disassembled, then damaged subunits are degraded and replaced with newly synthesized copies, and finally PSII is rebuilt into the grana thylakoid (J€arvi et al., 2015). Photoinhibition takes place if PSII repair cannot compensate for its damage, resulting in decreases in plant growth and productivity. Therefore, extensive attention has been paid to elucidate molecular mechanisms underlying PSII repair.
Transport patterns and numerical simulation of heavy metal pollutants in soils of lead-zinc ore mines

Exploring transport patterns of soil contaminants is essential for solving the problem of heavy metal contamination in mine soils. In this study, contamination of Pb, Zn, and Cd in the mountain soils of the lead-zinc ore mines in Ganxi Township, Hengdong County, Hunan Province, China was investigated, and their transport patterns were further explored using a soil-column model and numerical simulation techniques. In total, 111 mine soil samples were collected and placed into six experimental soil columns. By controlling the water flow, a control soil column group (CK), two mixed soil columns X1 with daily water flows of 1 and 5 L, and three mixed soil columns X3 with daily water flows of 2, 3, and 4 L were evaluated. The results showed that the residual fraction of Pb accounted for 71.93 % of the content on average, whereas the exchangeable fractions of Zn, Cd, and Fe-Mn oxide-bound fractions of Zn and Cd accounted for 28.60%, 31.07%, and 43.2% and 53.54% of the content, respectively. Pb, Zn, and Cd in the soils of the CK, X1, and X3 groups mainly were accumulated at a depth from approximately 0 to 20 cm, and the content at this depth accounted for 60.09% of that at a 0~40 cm depth. The soil at a depth range of 0~10 cm was most seriously contaminated, and the proportion of content was 32.39% of that at a 0~40 cm depth. Numerical simulation showed that on the 5th day, the pollutant transport range was 0~24 cm, and on the 9th day, the pollutant transport range exceeded 40 cm. On the 15th day, the transport capacity of pollutants at depths of 0~40 cm was close to the stable state, but the soil at a depth of 0~10 cm was still heavily polluted. These results reflect the transport pattern of heavy metal pollutants in the soil of lead-zinc ore mines and may provide a reliable scientific support for the prevention of heavy metal contamination in mine environments.
Future variation in mountainous discharge in arid northwestern China: A basin case study

To better understand the variation in mountainous discharge (MD) in the future, a basin case study was conducted in the upstream Taolai River Basin (UTRB) in arid northwestern China. The Blaney-Criddle (B-C) equation, Budyko framework, and water balance method were coupled for MD calculations. The outputs of 10 global climate models (GCMs) are synthesized to confirm the future changes in air temperature and precipitation under 3 selected Representative Concentration Pathway (RCP) scenarios. The climate elasticity (CE) method was used to determine the variation in MD, and the influence of climate factors on that was quantitatively analyzed. The results reveal that the coupling framework of the three methods is suitable for MD determination in the UTRB. The weight-based synthesis of the 10 GCM outputs shows overall increases in temperature (T) and precipitation (P) under the 3 scenarios during most of the time until 2099. The above climate change leads to an increase in MD. According to CE analysis, the positive effectiveness of precipitation is greater than the negative effectiveness of temperature on MD variation, and the increase in precipitation would induce more MD in the UTRB. Uncertainty analysis reveals that GCM outputs dominate in predicting precipitation, while the RCP scenarios influence temperature more. Overall, under the background of climate change, the risk of extreme floods during wet years might increase, and a water deficit will still occur during normal and dry years. The study provides a case example for better understanding MD responses to climate change in the upper reaches of inland river basins. Findings are helpful for reasonable water resource development and utilization in the middle and lower reaches of these basins in the future. As in the Taolai River Basin, considering the future water demand across the whole basin, the development of watersaving technologies and reasonable industrial structures is crucial for a sustainable future.
A Numerical Investigation of an Abnormal Phenomenon of Stress Intensity Factor (SIF) in a Cracked T-Butt Joint Accounting for Welding Effect

Industry design standards such as BS 7910 deployed some empirical formulas for the prediction of stress intensity factor (SIF) based on simulation results from traditional finite elementmethod (FEM). However, such FEM simulation occasionally failed to convince people due to the large discrepancies compared with engineering practice. As a consequence, inaccuracy predictions via such formulas in engineering standards inevitably occur, which will compromise the safety of structures. In our previous research work, an abnormal phenomenon of SIF in a cracked T-butt joint accounting for welding effect has been observed. Compared with BS 7910, the calculation results of SIF at the surface points of welded specimens cannot be well predicted, with a large discrepancy appearing. In order to explore such problem with an abnormal increase at the surface points of cracked welded specimens, a numerical investigation in terms of SIF among BS 7910, XFEM, and FEM is performed in this paper. Numerical models on both a simple cracked plate without welding effect and a cracked T-butt joint with welding effect are developed through ABAQUS. Parametric studies in terms of the effects of varied crack depth to thickness ratio (a/T) and the effects of crack depth to crack half-length ratio (a/c) are carried out. Empirical solutions from BS 7910 are used for comparison. It is found that the XFEM can provide predictions of SIF at both the crack deepest point and crack surface point of a simple cracked plate as accurate as FEM. For a T-butt joint with a transverse stiffener, a large discrepancy in terms of the weld magnification factors (Mk) occurs at the crack surface point compared with empirical predictions. An exceptional increase of von Mises stress gradient in regions close to the weld-toe is found through the simulation of FEM, whereas a constant stress gradient is obtained through XFEM. The comparison results indicate an inappropriate prediction of SIF by the utilization of the empirical formulas in BS 7910. A more reasonable prediction of the SIF at the surface point of a crack is obtained by the XFEM. Therefore, further updating of the empirical solutions in BS 7910 for SIF accounting for welding effect is recommended.
Designing an Intelligent Control Philosophy in Reservoirs of Water Transfer Networks in Supervisory Control and Data Acquisition System Stations

In this paper, a hybrid neural-genetic fuzzy system is proposed to control the flow and height of water in the reservoirs of water transfer networks. These controls will avoid probable water wastes in the reservoirs and pressure drops in water distribution networks. The proposed approach combines the artificial neural network, genetic algorithm, and fuzzy inference system to improve the performance of the supervisory control and data acquisition stations through a new control philosophy for instruments and control valves in the reservoirs of the water transfer networks. First, a multi-core artificial neural network model, including a multi-layer perceptron and radial based function, is proposed to forecast the daily consumption of the water in a reservoir. A genetic algorithm is proposed to optimize the parameters of the artificial neural networks. Then, the online height of water in the reservoir and the output of artificial neural networks are used as inputs of a fuzzy inference system to estimate the flow rate of the reservoir inlet. Finally, the estimated inlet flow is translated into the input valve position using a transform control unit supported by a nonlinear autoregressive exogenous model. The proposed approach is applied in the Tehran water transfer network. The results of this study show that the usage of the proposed approach significantly reduces the deviation of the reservoir height from the desired levels.
STRNet: Triple-stream Spatiotemporal Relation Network for Action Recognition

Learning comprehensive spatiotemporal features is crucial for human action recognition. Existing methods tend to model the spatiotemporal feature blocks in an integrate-separate-integrate form, such as appearance-and-relation network (ARTNet) and spatiotemporal and motion network (STM). However, with blocks stacking up, the rear part of the network has poor interpretability. To avoid this problem, we propose a novel architecture called spatial temporal relation network (STRNet), which can learn explicit information of appearance, motion and especially the temporal relation information. Specifically, our STRNet is constructed by three branches, which separates the features into 1) appearance pathway, to obtain spatial semantics, 2) motion pathway, to reinforce the spatiotemporal feature representation, and 3) relation pathway, to focus on capturing temporal relation details of successive frames and to explore long-term representation dependency. In addition, our STRNet does not just simply merge the multi-branch information, but we apply a flexible and effective strategy to fuse the complementary information from multiple pathways. We evaluate our network on four major action recognition benchmarks: Kinetics-400, UCF-101, HMDB-51, and Something-Something v1, demonstrating that the performance of our STRNet achieves the state-of-the-art result on the UCF-101 and HMDB-51 datasets, as well as a comparable accuracy with the state-of-the-art method on Something-Something v1 and Kinetics-400.
A Linearized Spectral-Galerkin Method for Three-Dimensional Riesz-Like Space Fractional Nonlinear Coupled Reaction-Diffusion Equations

In this paper, we establish a novel fractional model arising in the chemical reaction and develop an efficient spectral method for the three-dimensional Riesz-like space fractional nonlinear coupled reaction-diffusion equations. Based on the backward difference method for time stepping and the Legendre-Galerkin spectral method for space discretization, we construct a fully discrete numerical scheme which leads to a linear algebraic system. Then a direct method based on the matrix diagonalization approach is proposed to solve the linear algebraic system, where the cost of the algorithm is of a small multiple of ${N^4}$ ($N$ is the polynomial degree in each spatial coordinate) flops for each time level. In addition, the stability and convergence analysis are rigorously established. We obtain the optimal error estimate in space, and the results also show that the fully discrete scheme is unconditionally stable and convergent of order one in time. Furthermore, numerical experiments are presented to confirm the theoretical claims. As the applications of the proposed method, the fractional Gray-Scott model is solved to capture the pattern formation with an analysis of the properties of the fractional powers.
Superconvergent Cluster Recovery Method for the Crouzeix-Raviart Element

In this paper, we propose and numerically investigate a superconvergent cluster recovery (SCR) method for the Crouzeix-Raviart (CR) element. The proposed recovery method reconstructs a ${C^0}$ linear gradient. A linear polynomial approximation is obtained by a least square fitting to the CR element approximation at certain sample points, and then taken derivatives to obtain the recovered gradient. The SCR recovery operator is superconvergent on uniform mesh of four patterns. Numerical examples show that SCR can produce a superconvergent gradient approximation for the CR element, and provide an asymptotically exact error estimator in the adaptive CR finite element method.
Effect of Graphite Layers on the Conformation and Thermal Conductivity of n-octadecane: A Molecular Dynamics Study

To understand the thermal conductivity improvement of the paraffin and graphite composite PCMs in micro-scale, the conformation characteristics of molecules with rising temperature was studied by molecular dynamics (MD) simulation. And then the structure and dynamics characteristics of the paraffin PCM, including the structural evolution, the self-diffusion coefficient, phase change properties and thermal conductivity, were analyzed. The results indicate that the distribution of the n-octadecane molecules is more regular in the region near the graphite layers, although the temperature is higher than the phase transition point, which means that the graphite layer has a significant absorption influence on the conformation of alkane molecules. Then, the self-diffusion coefficient of n-octadecane molecules increases with the increasing of temperature, which shows great agreement with the literature. Meanwhile, the self-diffusion coefficient of n-octadecane molecules staying far away from the graphite layers is larger than that of the molecules in the region near the graphite layer. In addition, the radial distribution function (RDF) was used to analyze the molecular interaction of the system at different temperatures. The sudden increase of R (ratio of the first peak value to the first valley value of the RDF) within the temperature range from 293 K to 313 K corresponds to the phase transition point, indicating that the solid-liquid phase transition occurs at the temperature range. Besides, the results indicate that the thermal conductivity of amorphous n-octadecane is about 2.5 times lower than that of the crystal n-octadecane with perfect structure. This investigation provides theoretical guidance for the study of the micro-mechanism of n-octadecane doped with graphite composite phase change materials.
Stability, Thermal Conductivity and Photothermal Conversion Performance of Water-Based ZnO Nanofluids

Water-based ZnO nanofluids were prepared via the two-step method, and the influences of dispersant type and mass fraction on the stability and particle size distribution of the nanofluids were investigated. The spectral transmittances of the nanofluids were obtained by a UV-Vis-NIR spectrophotometer. Thermal conductivities of the nanofluids with various mass fractions were measured at different temperatures and a fitted nonlinear correlated equation was established for low-concentration application and compared with existing models. The photothermal conversion performance of the nanofluids was evaluated by theoretical and experimental methods at three optical depths. The results showed that, CTAB as the dispersant provides better physical stability of water-based ZnO nanofluids than SDBS or GA does. Effect of the temperature on the nanofluid thermal conductivity is remarkable with the increase of nanoparticle mass fraction, especially in the range 55°C to 75°C. The maximum thermal conductivity of the studied nanofluids is 0.9488 W/(m·°C) at 75°C, 43.61% higher than that of water. The minimum thermal conductivity of the studied nanofluids is 0.6376 W/(m·°C) at 25°C, 5.16% higher than that of water. The photothermal conversion performance of the nanofluids is quite good with a maximum average absorption efficiency of 0.47, 135% higher than that of water (η=0.2), and the maximum SAR is 527.5 W/g.
Cerium and ruthenium co-doped La_(0.7)Sr_(0.3)FeO_(3-δ) as a high-efficiency electrode for symmetrical solid oxide fuel cell

Symmetrical solid oxide fuel cells (SSOFCs) could be alternative energy conversion devices due to their simple fabrication process and low cost. Herein, perovskite La_(0.6)Ce_(0.1)Sr_(0.3)Fe_(0.95)Ru_(0.05)O_(3-δ) (LCSFR) was synthesized and evaluated as a high-performance electrode for SSOFCs based on the electrolyte of La_(0.9)Sr_(0.1)Ga_(0.8)Mg_(0.2)O_(3-δ) (LSGM). LCSFR retains their stable perovskite crystal structure in both reducing and oxidizing atmospheres, though a minor amount of LaSrFeO_4 phase is present under reducing conditions. Morphology investigation shows that homogeneously dispersed Ru metallic nanoparticles are exsolved on the surface of LCSFR after being reduced. The polarization resistance (Rp) of LCSFR-CGO (Ce_(0.9)Gd_(0.1)O_(2-δ)) is about 0.11 Ω·cm~2 at 800 ℃ in air, while the value of Rp for LCSFR-CGO in wet H_2 (3% H_2O) increases up to 0.32 Ω·cm~2. The symmetrical LCSFR-CGO|LSGM|LCSFR-CGO cell demonstrates a performance with an open circuit potential (OCV) of 1.07 V and a maximum peak power density of 904 mW/cm~2 at 800 ℃ using wet H_2 as the fuel. This high performance indicates that LCSFR is a candidate electrode for SSOFCs.
Energy transfer, superior thermal stability and multi-color emitting properties of langbeinite-type solid-solution phosphor K_2Dy_(1.5-x)Eu_xTa_(0.5)(PO_4)_3

Langbeinite type compounds are a large kind of oxometallate with good flexibility structure. Herein, we synthesized a new langbeinite type compound K_2Dy_(1.5)Ta_(0.5)(PO_4)_3, in which the Dy~(3+) and Ta~(5+) were blended to occupy the same crystallographic sites. Simultaneously, solid solutions of K_2Dy_(1.5-x)Eu_xTa_(0.5)(PO_4)_3 (χ = 0-1.5) were prepared and their photoluminescence properties were investigated. Due to energy transfer from Dy~(3+) to Eu~(3+), both Dy~(3+) and Eu~(3+) characteristic emissions are observed under 393 nm light excitation. The emitting color of K_2Dy_(1.5-x)Eu_xTa_(0.5)(PO_4)_3 turns from green through yellow to red by simply adjusting the Eu~(3+) concentration from 0 to 0.4. Moreover, K_2Dy_(1.48)Eu_(0.02)Ta_(0.5)(PO_4)_3 phosphor possesses excellent fluorescence thermal stability and exhibits zero thermal quenching at 150 ℃. These results manifest that K_2Dy_(1.5-x)Eu_xTa_(0.5)(PO_4)_3 solutions are promising multi-color emitting phosphors candidate for near-UV LED.
A-site defects in LaSrMnO_3 perovskite-based catalyst promoting NO_x storage and reduction for lean-burn exhausts

Herein, we report the high De-NO_x performance of the A-site defective perovskite-based Pd/La_(0.5)Sr_(0.3)MnO_3 catalyst. The formation of the defective perovskite structure can be proved by both the increased Mn~(4+)/Mn~(3+) ratio and serious lattice contraction due to cationic nonstoichiometry. It promotes the Sr doping into perovskite lattice and reduces the formation of the SrCO_3 phase. Our results demonstrate that below 300 ℃ the A-site defective perovskite can be more efficiently regenerated than the SrCO_3 phase as NO_x storage sites due to the latter's stronger basicity, and also exhibits the higher NO oxidation ability than the A-site stoichiometric and excessive catalysts. Both factors promote the lowtemperature De-NO_x activity of the Pd/La_(0.5)Sr_(0.3)MnO_3 catalyst through improving its NO_x trapping efficiency. Nevertheless, above 300 ℃, the NO_x reduction becomes the determinant of the De-NO_x activity of the perovskite-based catalysts. A-site defects can weaken the interactions between perovskite and Pd, inducing activation of Pd sites by in-situ transformation from PdO to metallic Pd in the alternative leanburn/fuel-rich atmospheric alternations, which boosts the De-NO_x activity of the Pd/La_(0.5)Sr_(0.3)MnO_3 catalyst. The Pd/La_(0.5)Sr_(0.3)MnO_3 catalyst exhibits the high sulfur tolerance as well. These findings provide insight into optimizing the structural properties and catalytic activities of the perovskite-based catalysts via tuning formulation, and have potential to be applied for various related catalyst systems.
Effects of the molluscicide candidate PPU06 on alkaline phosphatase in the golden apple snails determined using a near-infrared fluorescent probe

We constructed a reaction-based near-infrared fluorescent probe (Niap) to specifically identify alkaline phosphatase (ALP) with fast red fluorescence enhancement. Based on the positive concentrationdependent manner between the fluorescent intensity of the Niap and ALP, probe Niap was used to study the ALP enrichment and variation in golden apple snails (Pomacea canaliculata) exposed to the molluscicide candidate PPU06. After treatment with different concentrations of PPU06 over various times, three organs of the surviving snails, liver, stomach and plantaris, were frozen and sectioned for fluorescent imaging experiments. With increased PPU06 concentration, red fluorescence substantially increased in the liver and reached a maximum within 24 h when the PPU06 concentration was 0.75 mg/L. No obvious changes in the stomach or foot plantaris were found. It showed PPU06 caused liver injury and stimulated the increase of ALP in the liver of P. canaliculata. This study demonstrates a rapid ALP fluorescent identification method that can be used to study the effects of PPU06 on P. canaliculata. It also provides optical evidence that may aid in the discovery of new chemistry for snail control.
Revealing HOCl burst from endoplasmic reticulum in cisplatin-treated cells via a ratiometric fluorescent probe

The reactive oxygen species (ROS) are tightly associated with endoplasmic reticulum (ER) stress. Thus, the deep and visual insight of aberrant ROS fluctuations in the ER can help us better investigate the ER stress-associated pathology. In this work, a fluorescent probe ERC for HOC1 detection in the ER based on phenothiazine-derived coumarin platform was developed. In the presence of HOC1, ERC exhibited an emission change from 609 nm to 503 nm within seconds. It also showed high sensitivity (0.44 µmol/L) and superb photostability. Significantly, ERC displayed low cytotoxicity, good cell membrane permeability, and appreciable ER-targetability. Ultimately, the probe was successfully utilized to image exogenous and endogenous HOCl in living cells and reveal the HOCl burst in cisplatin-treated cancer cells.