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The in-situ electrochemically reconstructed Cu 2 O/CeO 2 from CuO/CeO 2 has been demonstrated to be effective for electrocatalytic carbon dioxide reduction, delivering a high selectivity, activity, and stability for producing CH 4. [Display omitted] Developing an efficient electrocatalyst that enables the efficient electrochemical conversion from CO 2 to CH 4 across a wide potential range remains a formidable challenge. Herein, we introduce a precatalyst strategy that realizes the in situ electrochemical reconstruction of ultrafine Cu 2 O nanodomains, intricately coupled on the CeO 2 surface (Cu 2 O/CeO 2), originating from the heterointerface comprised of ultrafine CuO nanodomains on the CeO 2 surface (CuO/CeO 2). When served as the electrocatalyst for the electrochemical CO 2 reduction reaction, Cu 2 O/CeO 2 delivers a selectivity higher than 49 % towards CH 4 over a broad potential range from −1.2 V to −1.7 V vs. RHE, maintaining negligible activity decay for 20 h. Notably, the highest selectivity for CH 4 reaches an impressive 70 % at −1.5 V vs. RHE. Through the combination of comprehensive analysis including synchrotron X-ray absorption spectroscopy, spherical aberration-corrected high-angle annular dark field scanning transmission electron microscope as well as the density functional theoretical calculation, the efficient production of CH 4 is attributed to the coherent interface between Cu 2 O and CeO 2 , which could converted from the original CuO and CeO 2 interface, ensuring abundant active sites and enhanced intrinsic activity and selectivity towards CH 4. [ABSTRACT FROM AUTHOR]

The nickel sulfide phase-heterostructure (r-NiS/h-NiS) was constructed between r-NiS and h-NiS. The r-NiS/h-NiS (1.25) displayed the excellent HER performance with low overpotential (101 ± 1 mV@10 mA cm−2) and small Tafel slope (62.10 ± 0.1 mV dec−1), which were superior to the pure phase r-NiS and h-NiS. [Display omitted] • r-NiS/h-NiS catalysts with the NiS phase-heterostructure have been successfully fabricated by a simple one pot method. • r-NiS/h-NiS (1.25) displayed the outstanding HER performance with low overpotential (101 ± 1 mV@10 mA cm−2) and small Tafel slope (62.10 ± 0.1 mV dec−1). • Improved HER activity was attributed to the dense coupling interfaces between r-NiS and h-NiS. Constructing transition metal sulfides (TMSs) heterostructure is an effective strategy to optimize the catalytic performance for hydrogen evolution reaction (HER) in alkaline medium. Herein, the rhombohedral nickel sulfide/hexagonal nickel sulfide (r-NiS/h-NiS) catalysts with the NiS phase-heterostructure were successfully fabricated by a simple one pot method. The r-NiS/h-NiS (1.25) (1.25 means the theoretical mole ratio of S and Ni added to reaction) displayed the excellent HER performance with low overpotential (101 ± 1 mV@10 mA cm−2) and small Tafel slope (62.10 ± 0.1 mV dec−1), which were superior to the pure phase r-NiS and h-NiS. In this work, the improved HER catalytic performances were attributed to the dense coupling interfaces between the r-NiS and h-NiS. This work shows the feasibility of construction NiS phase-heterostructure and provides a novel strategy for the application of NiS for water splitting. [ABSTRACT FROM AUTHOR]

[Display omitted] • A g-C 3 N 4 -Cl/PANI photocatalyst is synthesized by electrostatic self-assembly. • Cl acts as a transport channel and a hole quencher to improve the photocatalytic efficiency. • Supramolecular heterojunction is conducive to the efficient reduction of nitrate in water. • Fewer hole scavengers and longer electron lifetime make the catalyst practical. In this work, two polymers are connected by electrostatic self-assembly method to form a supramolecular heterojunction to remove pollutants. g-C 3 N 4 -Cl/PANI catalyst can be used for photocatalytic reduction of nitrate in water, and the nitrogen selectivity reaches 98.2%. Specially, charge density analysis and comparative experiments showed that the introduction of covalent chlorine increased in electron transfer conduction between layers. In addition, differential charge density and solid EPR tests reveal high electron density and electron transfer pathways for supramolecular heterostructures. The results of the work function give direct evidence for the high catalytic performance of the supramolecular heterojunction. The reasons and active species of photocatalytic reduction of nitrate by g-C 3 N 4 -Cl and g-C 3 N 4 -Cl/PANI are compared. The catalyst exhibits the performance of highly reducing nitrate to harmless nitrogen with the contribution of supramolecular heterojunction and covalent chlorine. In short, a new idea of constructing a supramolecular photocatalyst is proposed, which can be applied to efficiency reduce nitrate in water. [ABSTRACT FROM AUTHOR]

Reverse genetics systems have only been successfully developed for a few plant rhabdoviruses. Additional systems are needed for molecular virology studies of these diverse viruses and development of viral vectors for biotechnological applications. Eggplant mottled dwarf virus (EMDV) is responsible for significant agricultural losses in various crops throughout the Mediterranean region and the Middle East. In this study, we report efficient recovery of infectious EMDV from cloned DNAs and engineering of EMDV-based vectors for the expression of foreign proteins in tobacco, eggplant, pepper, and potato plants. Furthermore, we show that the EMDV-based vectors are capable of simultaneously expressing multiple foreign proteins. The developed EMDV reverse genetics system offers a versatile tool for studying virus pathology and plant-virus interactions and for expressing foreign proteins in a range of solanaceous crops. • Recombinant eggplant mottled dwarf virus recovered from cloned cDNAs. • Both negative- and positive-strand EMDV RNAs permit virus rescue. • EMDV-based vectors capable of expressing multiple foreign proteins. [ABSTRACT FROM AUTHOR]

[Display omitted] • Combining Ti, F and multiple cation redox (Mn2+/4+) to construct Li-rich DRX oxyfluorides. • Li 1.25 Mn 0.25 Ti 0.5 O 1.75 F 0.25 displays high discharge energy density and energy quality. • Revealing origination of electrochemical performance behavior for oxyfluorides. Li-rich disordered rock-salt cathode (DRX) materials with advantage of low cost, long cycle life, nature abundant resource and high power and energy density attracted a great deal of scholarly attention. However, the poor cycle stability and the unclear realization of cation and anion redox activity in low-cost element system have severely hindered the construction of high-performance DRX. Herein, a promising class of Ti-Mn based cathode materials Li 1.25 Mn 0.25 Nb 0.25 Ti 0.25 O 2 and Li 1.25 Mn 0.25 Ti 0.5 O 1.75 F 0.25 were designed and successfully synthesized to construct high energy density DRX and investigate the effect of fluorination on cation and anion redox activity. The results show that both fluoridized and unfluoridized DRX possess a similar structure (Fm -3 m), but distinctly different charge/discharge profiles. The fluoridized cathode shows high initial charge/discharge capacity of 317.3/283.9 mAh g−1, specific energy density of 1370.4/735.5 Wh kg−1 and stable capacity retention with a discharge capacity of 202.6 mAh g−1 after 20 cycles at 20 mA g−1. Combining relevant spectroscopic results and HRTEM images, we revealed that the excellent cyclability of Li 1.25 Mn 0.25 Ti 0.5 O 1.75 F 0.25 is rooted in the weakened adverse effects of moderated oxygen redox and the reduced Jahn–Teller distortion effect resulting from Mn3+, endowing the fluoridized DRX with better structural stability and larger Mn2+/Mn4+ reservoir. The strategy of constructing low cost oxyfluoride and the understanding of the mechanism of fluorination induced cation and anion redox activity would provide reference for the development of high-performance DRX materials. [ABSTRACT FROM AUTHOR]

Endometritis is a significant contributor to reduced productivity in yaks in Tibet, China. The Cyt-c/Caspase-3 signaling axis plays a crucial role in the mitochondrial pathway that triggers cell apoptosis due to endogenous factors. In this study, we examined the endometrial epithelial tissue of yaks with endometritis using pathological examination, immunohistochemical analysis, TUNEL staining, qRT-PCR, and Western blot. The results indicated significant changes in the apoptotic factors of the Cyt-c/Caspase-3 signaling axis. The expression levels of Bak1, Bax, Cyt-c, Apaf-1, Caspase-9, and Caspase-3 were significantly increased (P < 0.05), while the expression level of Bcl-2 was significantly decreased. Immunohistochemistry results revealed significant increase in Bak1, Bax, Cyt-c, Apaf-1, Caspase-9, and Caspase-3 expression in the cytoplasm compared to the healthy group, except for Bcl-2, which showed a significant decrease. Pathological section analysis demonstrated that clinical endometritis in yaks led to structural damage, bleeding, congestion, and inflammatory cell infiltration in the endometrial epithelium. Our study findings indicated that clinical endometritis in yaks can modulate apoptosis of endometrial epithelial cells via the Cyt-c/Caspase-3 signaling pathway, resulting in different levels of damage. This research is pioneering in exploring cell apoptosis induced by clinical endometritis in yaks, offering novel insights and potential strategies for the future prevention and treatment of endometritis in yaks. • The occurrence of yak endometritis is accompanied by cell apoptosis. • The Cyt-c/Caspase-3 signaling axis and its related factors play a significant role in the development of yak endometritis. • This study provides new insights into the relationship between endometritis and apoptosis in yak. [ABSTRACT FROM AUTHOR]

This paper presents equivalent deflection as a new concept for bridge damage detection. The equivalent deflection is similar to the real deflection and can be inferred from bridge acceleration measurements (accelerometer). While calculating measured acceleration, the method essentially explores the static response of the bridge to load. It is laid on the premise that most of the deflection response is generally static rather than dynamic. By using the equivalent deflection from a group a trains without knowing their bogie weights, the average single bogie equivalent deflection response (ASBED) can be calculated and used as an indicator of structural damage. Initially, the theoretical procedure is described to find the equivalent deflection from an acceleration signal using a moving force identification algorithm. Then, numerical analyses are carried out to validate the algorithm. The results confirm that the equivalent deflection is close to the real deflection and contains only a small dynamic component. Then, a method to find the shape of influence line is developed. Using real acceleration data from a 26.8 m simply supported railway bridge (located over the West Coast Mainline in Staffordshire, UK), the shapes of equivalent influence lines are obtained from different groups of trains with very good repeatability. The ASBED response concept is introduced as the product of the 'inferred bogie weight' and the shape of the influence line. Good repeatability of the ASBED response is obtained from site with variability less than 1.5%. Theoretically, this ASBED response should be able to detect changes in the influence line when the average bogie weight at the site is repeatable. The last section explores the changes in the theoretical influence line due to different bridge damage conditions by using a 2D grillage bridge model. The results show that a 2% overall reduction in material stiffness or 20% local reduction (over 1.5 m) should be detectable using this method. [ABSTRACT FROM AUTHOR]

Impaired fertility is the major side effect of chemotherapy for female cancer patients, accumulated evidence indicates this is associated with damage on oocyte quality, but the underlying mechanisms remain unclear. Previously we reported that doxorubicin (DXR) exposure, one of the most widely used chemotherapy drugs, disrupted mouse oocyte meiotic maturation in vitro. In the current study, we identified that SIRT1 expression was remarkably reduced in DXR exposure oocytes. Next, we found that increasing SIRT1 expression by resveratrol partially alleviated the effects of DXR exposure on oocyte maturation, which was counteracted by SIRT1 inhibition. Furthermore, we revealed that increasing SIRT1 expression mitigated DXR induced oocyte damage through reducing ROS levels, increasing antioxidant enzyme MnSOD expression, and preventing spindle and chromosome disorganization, lowering the incidence of aneuploidy. Importantly, by performing in vitro fertilization and embryo transfer assays, we demonstrated that increasing SIRT1 expression significantly improved the fertilization ability, developmental competence of oocytes and early embryos. In summary, our data uncover that SIRT1 reduction represents one mechanism that mediates the effects of DXR exposure on oocyte quality. [Display omitted] • SIRT1 is downregulated in chemotherapy drugs doxorubicin (DXR) exposure oocytes. • SIRT1 modulates MnSOD expression and ROS levels in DXR exposure oocytes. • SIRT1 regulates spindle assembly/ chromosome segregation in DXR-treated oocytes. • SIRT1 improves fertilization and developmental potential of DXR-treated oocytes. • SIRT1 could be a target for fertility preservation of female cancer patients. [ABSTRACT FROM AUTHOR]

To understand the effects of volatile compounds on the evaluation of soy sauces so their quality could be classified, samples collected over 3 consecutive years from 2015 to 2017 were evaluated then ranked. The volatile compounds of these evaluated samples were directly extracted by headspace analysis to reduce technical interference and to identify the most common compounds in soy sauce. Sixty-four volatile compounds were identified in the evaluated soy sauces, of which 35 were found in all samples. The correlation coefficients between the levels of volatile compounds detected and the sensory rankings of the evaluated soy sauces were calculated. This enabled those volatile compounds having a greater measure of influence, both negatively and positively, on the quality of the soy sauce to be identified. It was noteworthy that the quality of Japanese fermented soy sauces was negatively correlated with their levels of 4-ethyl-2methoxyphenol and pyrazines. • Volatile compounds were correlated directly to the sensory evaluation. • 19 compounds were found to be positively correlated with the quality increased. • 25 compounds showed a negative correlation to sensory quality of soy sauce. • The obtained results provide additional data for flavor optimization of soy sauce. [ABSTRACT FROM AUTHOR]

Abstract Pesticides and medications have adverse effects in non-target organisms that can lead to different modes of action (MOAs). However, no study has been performed to compare the MOAs between different levels of aquatic species. In this study, theoretical equations of interspecies relationship and excess toxicity have been developed and used to investigate the MOAs among fish, Daphnia magna, Tetrahymena pyriformis and Vibrio fischeri for pesticides and medications. The analysis on the interspecies correlation and excess toxicity suggested that fungicides, herbicides and medications share the similar MOAs among the four species. On the other hand, insecticides share different MOAs among the four species. Exclusion of insecticides from the interspecies correlation can significantly improve regression coefficient. Interspecies relationship is dependent not only on the difference in interaction of chemicals with the target receptor(s), but also on the difference in bio-uptake between two species. The difference in physiological structures will result in the difference in bioconcentration potential between two different trophic levels of organisms. Increasing of molecular size or hydrophobicity will increase the toxicity to higher level of aquatic organisms; on the other hand, chemical ionization will decrease the toxicity to higher level organisms. Hydrophilic compounds can more easily pass through cell membrane than skin or gill, leading to greater excess toxicity to Vibrio fischeri , but not to fish and Daphnia magna. Graphical abstract Image 1 Highlights • Theoretical interspecies correlation equation has been developed based on the toxic mechanism. • Fungicides, herbicides and medications share same modes of action to four aquatic organisms. • Insecticides share different mode of actions between species. • Molecular size, hydrophobicity, acidity and ionization affect interspecies correlation. [ABSTRACT FROM AUTHOR]

A theoretical investigation of the anisotropy of face-centered-cubic (FCC) and body-centered (BCC) medium entropy alloys (MEAs) based on the first-principle calculations has been implemented. The electronegativity difference Δ χ , mixing enthalpy ΔH mix , range of electronegativity R χ and total charge transfer have been considered. All elastic anisotropies of the selected MEAs change monotonously with the electronegativity difference Δ χ , more specifically, the anisotropy decreases with decreasing electronegativity difference Δ χ. A detailed investigation of electronic structure reveals that charges are mainly accumulated around the atom with minimal Pauling electronegativity (χ) and valence electron concentration (VEC), resulting in a high anisotropy of MEAs. For Al-containing MEAs, a substantial number of total charge transfer will lead to a great anisotropy. In addition, the range of electronegativity R χ can be used to assist in identifying the anisotropy in the localized electron distribution. Image 1 [ABSTRACT FROM AUTHOR]

Graphical abstract Abstract Herein, we report the successful synthesis of a series of poly (N-isopropylacrylamide) (PNIPA)/layered double hydroxides (LDHs)/nano-hydroxyapatite (nano-HA) hydrogels via in-situ radical polymerization. The internal morphology, thermo sensitivity, rheological properties, swelling behavior and hemocompatibility of the PNIPA/LDHs/HA composite hydrogels were systematically investigated. Results show that the hydrogels had a reversible sol-gel transformation around 33 °C. Interactions between the positively charged LDHs and negatively charged nano-HA particles created a highly porous hydrogel network. The composite hydrogels exhibited excellent hemocompatibility, incredible mechanical toughness and reversible swelling/deswelling behavior. To our knowledge, this is the first reported study to use two types of inorganic nanoparticle with opposing charges as hydrogel crosslinking agents. Based on its properties, we expect this hydrogel has broad applications potential in tissue engineering, drug delivery and biosensor development. [ABSTRACT FROM AUTHOR]

Abstract To investigate contamination level, origins and spatial distribution characteristics of heavy metals (Cu, Pb, Zn, Hg, Ni, Cd, As, and Cr) in agricultural soils of Gaogang Town, a typical industrial transfer-undertaking region of the Pearl River Delta (PRD), China, a total of 162 surface soil samples were collected in August 2016 and determined using inductively coupled plasma mass spectrometry, inductively coupled plasma optical emission spectrometry and atomic fluorescence spectrometry. Moreover, heavy metals contents were systematically analyzed by pollution index, enrichment factor, multivariate statistical approaches and geostatistical analysis. The results showed that the mean concentrations of Cd, Pb, Zn, Ni, Cu and Hg were higher than the soil background values of Guangdong Province, and the relatively high values of pollution index and enrichment factor indicated that these elements (Cd, Pb, Zn and Hg) had cumulative trends in soil. All results of multivariate statistical approaches and geostatistical analysis showed that pollution were heavily distributed in areas of industries, river and dense road network. The eight heavy metals in agricultural soils of Gaogang Town came from three different sources. Arsenic, Cr, Cu and Ni arose mainly from parent materials. Agricultural practices and traffic activities were the main sources of Cd, Pb and Zn. Mercury mainly came from industrial practices. Graphical abstract fx1 Highlights • Concentrations of heavy metals were measured in agricultural soil of Gaogang Town. • Sources of heavy metals were identified using EF, multivariate statistical and geostatistical methods. • Spatial distribution of heavy metals in agricultural soil was closely related with human activities. [ABSTRACT FROM AUTHOR]

Abstract Although mode of action (MOA) plays a key role in the understanding of the toxic mechanism of chemicals, the MOAs of class-based compounds to tadpoles have not been investigated. To explore the MOAs, acute toxicity (expressed as log 1/LC 50) to Rana chensinensis tadpoles were determined and molecular descriptors were calculated. Quantitative structure-activity relationship (QSAR) showed that toxicity to tadpoles is closely related to the chemical octanol/water partition coefficient (log K OW), energy of the lowest unoccupied molecular orbital (E LUMO), and number of hydrogen bond donors and acceptors (NH DA), representing the bio-uptake potential in tadpoles, the electrophilicity and hydrogen bonding capacity with target site(s), respectively. Comparison of the toxicity values between tadpoles and fish revealed that there were no significant differences for the overlapping compounds (average residual = 0.29 between tadpole and fish toxicity) with P values of interspecies correlation substantially less than 0.001. Classification of MOAs for the class-based compounds based on the excess toxicity calculated from toxicity ratio suggested that baseline, less inert compounds and some reactive or specifically-acting compounds share same MOAs between tadpoles and fish. Fish and tadpoles can serve as surrogates for each other in the safety evaluation of organic pollutants. Graphical abstract fx1 Highlights • Tadpole toxicity is related to chemical bio-uptake, electrophilicity and H-bonding capacity. • The toxicity to fish is close to the toxicity to R. chensinensis tadpoles. • Majority of compounds share the same mode of action between tadpoles and fish. • Fish and tadpoles can serve as surrogates for each other in safety evaluation of pollutants. [ABSTRACT FROM AUTHOR]

Street dusts (SDs) were a significant tracer to understand the pollution status of potentially toxic metal/metalloids (PTMs) in local environment. In this study, a total of 157 SDs were collected in the valley-city of Xining, NW China, with the objective to systematically investigate the spatial occurrences, sources and health risk status of 24 PTMs bound in SDs. The basic datasets of pH and size-fractions showed that the SDs with PTMs were more alkaline and dominated with the coarse particle sizes between PM10–50, respectively. Results of concentration levels and spatial status of 24 PTMs processed with multi-statistical tools well established the sources identification in monitored local areas. It was suggested that the principal elements, Al, Fe, Si, K, Ca, Na, Mg, coupled with the trace elements Bi, Ga, Nb, Ni, Rb, Sr, Th, U, Y, Zr, As, Mn, Ti, V, Ce and La would be possiblely predominated by geogenic source or nature material, whereas contamination of Ba, Cu, Pb and Zn was clearly related to traffic-related sources. Peculiar associations among Cr and Co were possiblely enriched in SDs very close to the alloy industries. However, Sb and Sn differed from other observed PTMs, which appeared to derive predominantly from the coal combustion other than sources of electronic and mechanical industries. Compared to the integrated potential ecological risk index (PERI) of all PTMs with considerable contamination level and ecological risk, the single PTM of Sb posed very high risk. Calculated Hazard Index (HI) suggested ingestion as the most important exposure pathway for the majority of PTMs in children and adults, and no significant health risks of non-carcinogenic to children and adults were found except Cr (2.78) exposured to children. However, the evaluated cancerous risk was in the acceptable range both to children and adults except for the case of Cr exposure to adults (1.55E-06) compared to other PTMs. Although the carcinogenic risk was found no significant level, the maps of spatial carcinogenic risks above the threshold for children and adults were observed in some local monitoring areas, which should be attention and not to be always ignored. [ABSTRACT FROM AUTHOR]

• Densities and viscosities of EGHE + three secondary alkanolamines were measured. • The V E and Δ η values are negative at the investigated conditions for all three systems. • The sign and magnitude of excess properties was discussed from two opposing aspects. • Experimental data were well represented by the proposed Redlich-Kister correlations. Nonaqueous solvents containing secondary alkanolamines and 2-alkoxyethanols, have recently gained significant attention for energy-efficient CO 2 capture process. However, the information of physicochemical property, particularly involving 2-(hexyloxy)ethanol (EGHE), is very limited for mass transfer and process modeling development. In this work, densities and viscosities were measured for binary mixtures of EGHE with 2-(methylamino)ethanol, 2-(ethylamino)ethanol and 2-(butylamino)ethanol at temperatures of (293.15–353.15)K and atmospheric pressure in the entire concentration range. The excess/deviation properties were derived from the experimental data and fitted by the Redlich-Kister equation to estimate the binary interaction parameters. The variation of excess properties with solvent composition and temperature was also discussed in terms of intermolecular interactions. The calculated from the proposed correlations matched well with the experimental values, with AARDs within 0.01% and 1.60% for density and viscosity respectively. [ABSTRACT FROM AUTHOR]

Al contamination becomes a growing problem in human society. Accumulation of Al in blood could destroy the structure and disorder function of erythrocyte, and finally cause blood diseases. In the present study, AlCl 3 and Al(malt) 3 are respectively used in the erythrocyte system, in order to investigate the comparative toxic effect on erythrocyte fragility, the influence on cellular biochemical components and lipid peroxidation level. We find that the osmotic fragility, the number of Heinz bodies, the content of MDA and advanced oxidation protein product of the AlCl 3 treated erythrocytes were higher than the Al(malt) 3 treated erythrocytes at the same concentrations of Al(Ⅲ). The morphological and membrane protein changes of the AlCl 3 treated group show superior to the Al(malt) 3 treated group. In summary, we conclude that the comparative effect on the erythrocyte between organic aluminum and inorganic aluminum is significantly different, and the prime comparative difference between the toxic effects of both the compounds is oxidative stress. Further research should focus on in vivo experiments to confirm the differential toxicity and to elucidate the molecular mechanisms underlying Al-induced erythrocyte toxicity in order to prevent hematological disorders. [ABSTRACT FROM AUTHOR]

A theoretical investigation on the effect of anti-site point defects on mechanical and thermodynamic properties of MgZn 2 and MgCu 2 based on the first-principles calculations has been implemented. The results show that Mg anti-site defect on Zn or Cu site plays a reinforcing role, while exhibiting a more brittle behavior. However, the defect phase of Cu anti-sites on Mg sublattice shows a ductile tendency. The temperature-dependent thermodynamic properties are also predicted along with Debye-Grüneisen model including Debye temperature, thermal expansion coefficient and vibrational heat capacity as well as vibrational entropy. Taking into account the contribution of the lattice vibration and thermal electronic excitations, the Helmholtz free energy F can be calculated, suggests that anti-site defects caused by the occupancy of Mg at the Zn or Cu site are thermodynamically unstable compared to the defect-free phases. In addition, the total amount of charge transfer, the overall and the local difference charge densities are further discussed to analyze the mechanism of mechanical properties. [ABSTRACT FROM AUTHOR]

The “linear parametric neurotransmitter PET” (lp-ntPET) model was introduced to capture the time course of transient endogenous neurotransmitter response to drug stimulus from dynamic PET data. We previously used this novel analysis tool to probe the short-lived dopamine (DA) response induced by cigarette smoking in the PET scanner. It allowed us to find a sex difference in the DA signature of cigarette smoking. To make best use of this tool to characterize neurotransmitter response to drug stimulus, the sensitivity of lp-ntPET to detect such responses must be maximized. We designed a series of simulation studies to examine the impact of the following factors on the sensitivity of lp-ntPET using smoking-induced DA release as an example application: tracer delivery protocol, pre-processing for image denoising, timing of the smoking task, duration of the PET scan, and dose of the radiotracer. Our results suggest that a Bolus paradigm could replace a more difficult B/I paradigm without sacrificing the sensitivity of the method. Pre-processing the PET data with the de-noising algorithm HYPR could improve the sensitivity. The optimal timing to start the smoking task is 45min in a 90min scan and 35min in a 75min scan. A mild shortening of the scan time from 90mCi to 75min should be acceptable without loss of sensitivity. We suggest a lower dose limit of a bolus injection at 16mCi to limit underestimation of DA activation. This study established the framework to optimize the experimental design for reaching the full potential of lp-ntPET to detect neurotransmitter responses to drugs or even behavioral tasks. [ABSTRACT FROM AUTHOR]

[Display omitted] • Platelet margination and adhesion are two critical events during thrombus formation. • Margination and adhesion dynamics of platelets in microvascular blood flow are investigated. • Platelet margination and adhesion occur in shear-dependent manners. • Adherent platelets have negative impacts on margination dynamics of circulating ones. Platelet margination and adhesion are two critical and closely related steps in thrombus formation. Using dissipative particle dynamics (DPD) method that seamlessly models blood cells, blood plasma, and vessel walls with functionalized surfaces, we quantify the shear-induced margination and adhesion of platelets in microvascular blood flow. The results show that the occurrence of shear-induced RBC-platelet collisions has a remarkable influence on the degree of platelet margination. We characterize the lateral motion of individual platelets by a mean square displacement analysis of platelet trajectories, and find that the wall-induced lift force and the shear-induced displacement in wall-bounded flow cause the variation in near-wall platelet distribution. We then investigate the platelet adhesive dynamics under different flow conditions, by conducting DPD simulations of blood flow in a microtube with fibrinogen-coated wall surfaces. We find that the platelet adhesion is enhanced with the increase of fibrinogen concentration level but decreased with the increase of shear rate. These results are consistent with available experimental results. In addition, we demonstrate that the adherent platelets have a negative impact on the margination dynamics of the circulating platelets, which is mainly due to the climbing effect induced by the adherent ones. Taken together, these findings provide useful insights into the platelet margination and adhesion dynamics, which may facilitate the understanding of the predominant processes governing the initial stage of thrombus formation. [ABSTRACT FROM AUTHOR]

[Display omitted] • Traversal dynamics of RBC-NP composite supercarrier with tunable properties are investigated. • Detachment of NPs from RBC occurs in a shear-dependent manner. • Optimal adhesion strength for the release of rigid spherical NPs in microcapillaries is proposed. • Stiffness and shape of NPs alter its detachment effciency. Red blood cell (RBC) membrane-hitchhiking nanoparticles (NPs) have been an increasingly popular supercarrier for targeted drug delivery. However, the kinetic details of the shear-induced NP detachment process from RBC in blood flow remain unclear. Here, we perform detailed computational simulations of the traversal dynamics of an RBC-NP composite supercarrier with tunable properties. We show that the detachment of NPs from RBC occurs in a shear-dependent manner which is consistent with previous experiment results. We quantify the NP detachment rate in the microcapillary flow, and our simulation results suggest that there may be an optimal adhesion strength span of 25–40 μJ/m2 for rigid spherical NPs to improve the supercarrier performance and targeting efficiency. In addition, we find that the stiffness and the shape of NPs alter the detachment efficiency by changing the RBC-NP contact areas. Together, these findings provide unique insights into the shear-dependent NP release from the RBC surface, facilitating the clinical utility of RBC-NP composite supercarriers in targeted and localized drug delivery with high precision and efficiency. [ABSTRACT FROM AUTHOR]

[Display omitted] • All 34 compounds were evaluated for their anti-HBV activity and cytotoxicity. • Compound 7b (EC 50 = 0.83 ± 0.33 µM) displayed comparable anti-HBV activity to NVR3-778 (EC 50 = 0.73 ± 0.20 µM). • Compound 7b (328.8 µg/mL, pH 7) displayed better solubility than NVR 3-778 (35.8 µg/mL, pH 7) as designed. • Size exclusion chromatography and quantification of encapsidated RNA were performed to investigate the antiviral mechanism. • Molecular dynamics simulation was conducted to understand key interactions of novel derivatives with the binding pocket. Capsid assembly modulators (CAMs) represent a novel class of antiviral agents targeting hepatitis B virus (HBV) capsid to disrupt the assembly process. NVR 3-778 is the first CAM to demonstrate antiviral activity in patients infected with HBV. However, the relatively low aqueous solubility and moderate activity in the human body halted further development of NVR 3-778. To improve the anti-HBV activity and the drug-like properties of NVR 3-778, we designed and synthesized a series of NVR 3-778 derivatives. Notably, phenylboronic acid-bearing compound 7b (EC 50 = 0.83 ± 0.33 µM, CC 50 = 19.4 ± 5.0 µM) displayed comparable anti-HBV activity to NVR 3-778 (EC 50 = 0.73 ± 0.20 µM, CC 50 = 23.4 ± 7.0 µM). Besides, 7b showed improved water solubility (328.8 µg/mL, pH 7) compared to NVR 3-778 (35.8 µg/mL, pH 7). Size exclusion chromatography (SEC) and quantification of encapsidated viral RNA were used to demonstrate that 7b behaves as a class II CAM similar to NVR 3-778. Moreover, molecular dynamics (MD) simulations were conducted to rationalize the structure–activity relationships (SARs) of these novel derivatives and to understand their key interactions with the binding pocket, which provide useful indications for guiding the further rational design of more effective anti-HBV drugs. [ABSTRACT FROM AUTHOR]

Phthalates are a class of environmental endocrine disruptors. Previous studies have demonstrated that phthalate exposure can affect thyroid function; however, limited studies have assessed the associations between phthalate exposure and thyroid function, especially thyroid autoimmunity in pregnant women during the first trimester. We recruited participants from a cohort of pregnant women in Beijing, China, and collected urine samples to measure ten phthalate metabolites, serum samples to measure free thyroxine (FT 4), thyroid-stimulating hormone (TSH), thyroid peroxidase antibody (TPOAb) during the first trimester. We included 325 pregnant women without thyroid diseases or dysfunction in this study. Associations between phthalate metabolites and thyroid function parameters were assessed with the Bayesian kernel machine regression (BKMR) model, multiple linear regression model, and restricted cubic spline. In the BKMR model analysis, compared to the 50th percentile, total urinary phthalate metabolites levels were negatively associated with serum TPOAb levels when phthalate metabolites were at or below the 40th percentile. Stratifying by body mass index, total urinary phthalate metabolites levels were negatively associated with serum TPOAb levels in normal weight women when phthalate metabolites were at or below the 45th percentile. However, total urinary phthalate metabolites levels were positively associated with serum TPOAb levels in underweight women when phthalate metabolites were at or below the 30th percentile. In restricted cubic spline analysis, L -shaped nonlinear associations of mono-(2-ethyl-5-carboxypentyl) phthalate (MECPP), mono-(2-ethyl-5-oxohexyl) phthalate (MEOHP), di-(2-ethylhexyl) phthalate (ΣDEHP), and inverted S-shaped nonlinear association of mono-(2-ethyl-5-hydroxyhexyl) phthalate (MEHHP) with TPOAb were observed. In conclusion, our findings suggest that phthalate exposure may affect thyroid autoimmunity in underweight pregnant women during early pregnancy, and the potential effects of phthalate exposure on thyroid autoimmunity may be nonlinear. [Display omitted] • The joint effects of phthalate exposure were assessed using the BKMR model. • Urinary phthalate metabolites were mainly associated with serum TPOAb levels. • Phthalates may affect thyroid autoimmunity in underweight pregnant women. [ABSTRACT FROM AUTHOR]

Marine spatial planning (MSP), which is a step-by-step approach for the ecosystem-based management (EBM) of global oceans, enables human activity and marine and coastal ecosystems conservation to occur simultaneously. It contributes to the implementation of the 2030 Agenda, particularly Sustainable Development Goal 14. However, the MSP, supposed as a transboundary policy-making process, is hampered by obstacles. Although existing studies have revealed significant obstacles and enablers for transboundary marine spatial planning (TMSP), they have not analyzed how these factors affect government decision-making. To fill this gap, this paper takes the Xiamen–Kinmen Sea area in China as an example and analyses the interaction between the Xiamen–Zhangzhou–Quanzhou (XZQ) governments, the Kinmen government, and an introduced transboundary institution using evolutionary game theory. Numerical simulation is used to analyse the impact of influencing factors on the behaviors of different actors. The results demonstrate that: (1) the initial probability of the three parties directly affect the final stability; (2) net benefits have a positive incentivizing effect on the performance of the Promotion Group; (3) the value of eco-environmental losses reflects the urgency of collaborative governance by implementing TMSP; (4) transaction costs do not undermine collaboration, but do reduce the willingness of governments to participate if they are too high; and (5) the appropriate value of the transaction cost allocation coefficient should not exceed 0.9. This research may serve as an essential reference for the Xiamen–Kinmen Sea area for implementing EBM and provide general insights into the design of incentive policy recommendations for other regions for developing TMSP in shared waters. [Display omitted] • A tripartite evolutionary game model to explore factors for TMSP is developed. • The players' evolution routine and optimal result for TMSP are revealed. • Initial possibilities affect the player's decision-making behavior. • The choice of the transboundary institution relies on the benefits from TMSP. • Transaction costs do not undermine the collaboration unless they are too high. [ABSTRACT FROM AUTHOR]

N,N-dimethylformamide (DMF) is a non-negligible volatile hazardous material in indoor and outdoor environments. Although the hepatotoxicity of DMF has been well recognized, the underlying mechanisms remain unclear and prophylactic medicine is still lacking. Herein, we established a DMF-induced acute liver injury mouse model and investigated the underlying mechanisms focusing on oxidative stress and the nucleotide-binding domain and leucine-rich repeat receptor (NLR) family pyrin domain (PYD)-containing 3 (NLRP3) inflammasome. DMF was found to induce oxidative stress, evidenced by the elevation of hepatic malondialdehyde (MDA) and 4-hydroxynonenal (4-HNE) adducts levels, and the decline of reduced glutathione (GSH) levels. However, neither N-acetyl cysteine (NAC) nor sulforaphane (SF) ameliorated the hepatoxicity induced by DMF in mice. Interestingly, DMF exposure led to focal necrosis of hepatocytes and NLRP3 inflammasome activation before the onset of obvious liver damage. In addition, DMF exposure induced infiltration and proinflammatory/M1 polarization of macrophages in mice livers. Furthermore, the inactivation of hepatic macrophages by GdCl 3 significantly suppressed DMF-induced elevation of serum aminotransferase activities, neutrophile infiltration, and activation of NLRP3 inflammasome in mice liver. Collectively, these results suggest that DMF-induced acute hepatotoxicity may be attributed to the activation of NLRP3 inflammasome in liver macrophages, but not oxidative stress. [Display omitted] • DMF is a non-negligible volatile hepatotoxicant in indoor and outdoor environments. • Antioxidants failed to suppress the acute hepatoxicity induced by DMF. • DMF exposure induced activation of NLRP3 Inflammasome in mice liver. • DMF exposure led to the infiltration and proinflammatory polarization of liver macrophages. • Inactivation of hepatic macrophage by GdCl3 suppressed DMF-induced liver injury. [ABSTRACT FROM AUTHOR]

We expand upon the interpersonal-CAPS framework by examining how dependency moderates the within-person association of interpersonal perceptions and emotions. 184 university students completed a 7-day diary study, reporting on how they perceived their interaction partners and emotions during that interaction. Multilevel regression models were used to examine the associations between interpersonal perceptions and emotions, moderated by interpersonal dependency. For participants with higher dependency, perceiving others as more submissive and unfriendly than usual was associated with decreased positive emotional valance, while perceiving others as dominant and unfriendly in general was associated with less emotional activation. These results are organized using the interpersonal-CAPS framework to articulate dependent personality dynamics, particularly the unique perceptions, expectations, and costs of relying upon unfriendly-dominant others. [ABSTRACT FROM AUTHOR]

T-superfamily conotoxins have a typical cysteine pattern of “CC–CC”, and are known to mainly target calcium or sodium ion channels. Recently, we screened the targets of a series of T-superfamily conotoxins and found that a new T-superfamily conotoxin TxVC (KPCCSIHDNSCCGL-NH 2 ) from the venom of Conus textile . It selectively targeted the neuronal nicotinic acetylcholine receptor (nAChR) subtypes α4β2 and α3β2, with IC 50 values of 343.4 and 1047.2 nM, respectively, but did not exhibit obvious pharmacological effects on voltage-gated potassium, sodium or calcium channel in DRG cells, the BK channels expressed in HEK293 cells, or the Kv channels in LβT2 cells. The changes in the inhibitory activities of its Ala mutants, the NMR structure, and molecular simulation results based on other conotoxins targeting nAChR α4β2, all demonstrated that the residues Ile 6 and Leu 14 were the main hydrophobic pharmacophores. To our best knowledge, this is the first T-superfamily conotoxin that inhibits neuronal nAChRs and possesses high binding affinity to α4β2. This finding will expand the knowledge of the targets of T-superfamily conotoxins and the motif information could help the design of new nAChR inhibitors. [ABSTRACT FROM AUTHOR]

Headspace solid-phase microextraction coupled with gas chromatography mass spectrometry was applied to determine the flavor compounds in crystal malt. A total of 29 volatile compounds including 14 aldehydes, 7 ketones, 3 alcohols, 3 phenols, and 2 other compounds were detected, of which aldehydes were the most abundant substances. In comparison with the performance of three commercial crystal malts, the laboratory crystal malt was superior in flavor variation due to the optimization of malting process, including the detectable variety and strength. Subsequently, principal component analysis (PCA) was performed to identify the flavor differences between the crystal malts and other specialty malts (i.e. pale pilsner malt, caramel malt, coffee malt, and chocolate malt). The results showed that crystal malts were clearly separated from the other types of specialty malts. Correspondingly, 21 volatile compounds were considered to be important for differentiating the flavor characteristics. On the basis of PCA results, a predictive model for classifying specialty malts was obtained from the first three principal components, and the predicted response Y which denoted the malt scores was also calculated. It was found that the Y values of crystal malt ranged from 0.66 to 3.72, whereas the other kinds of specialty malts were negative. Consequently, the mathematical model was proved to be efficient for identifying the crystal malt, as well as providing new ideas for the assessment of special malts in the future. [Display omitted] • 29 volatile compounds were detected in crystal malts by using HS-SPME-GC-MS. • PCA results revealed the differences in flavor compounds between malts. • A predictive model was obtained to distinguish crystal malts based on volatiles. • Providing insight into the effectiveness of volatiles on assessing specialty malts. [ABSTRACT FROM AUTHOR]

Organic pollution is an ever-growing issue in aquatic environment, Fenton-like processes have gained widespread acceptance due to their high oxidative potential and environmental compatibility. Derivatives of metal-organic frameworks (MOFs) are emerging heterogeneous Fenton-like catalysts, which have advantages of large surface area, diversity of structures, and abundant active sites. This work focuses on the recent advances in MOFs derivatives including metal compounds and metal incorporated carbons for Fenton-like processes. First, preparation strategies, structures and compositions are introduced. And then, the removal of organic pollutant in Fenton, electro-Fenton, and photo-Fenton process catalyzed by MOFs derivative is summarized, respectively. The contents particularly devote efforts to build connections among preparation, structures, compositions, and performance. Furthermore, the mechanisms of improving performance are discussed in detail. Finally, the perspectives of MOFs derivatives toward Fenton-like applications are proposed. • Preparation strategies of MOFs-derived Fenton-like catalysts are summarized. • Links among preparation, structures, compositions, and performance are studied. • MOFs derivatives are effective to activate H2O2 for removal of organic pollutants. • The mechanisms of enhancing performance of MOFs derivatives are highlighted. • The prospects of MOFs derivatives-based Fenton-like processes are addressed. [ABSTRACT FROM AUTHOR]

Highlights: [•] CXCR2–NHERF1–PLCβ3 complex regulates CXCR2 signaling in pancreatic cancer. [•] The crystal structure of the NHERF1 PDZ1 domain in complex with PLCβ3. [•] The structure reveals specificity determinants of PDZ1–PLCβ3 interaction. [•] Endogenous PLCβ3 in pancreatic cancer cells interacts with both PDZ1 and PDZ2. [•] Structural basis of the PDZ1–PLCβ3 interaction is valuable in selective drug design. [ABSTRACT FROM AUTHOR]

Acetochlor is one of the most widely used herbicides in the world, however, there are few data on the sub-lethal effects of acetochlor on early developmental stages of fish. To address this, we measured survival, deformity, swim bladder formation, embryo oxygen consumption rates, reactive oxygen species (ROS) levels, transcripts (related to swim bladder formation, oxidative damage response, and apoptosis) and behavior responses following exposure to acetochlor (0.001 µM up to 125 µM). Exposure to acetochlor at concentrations 50 µM and above exerted 100% mortality after 3 dpf, and significantly reduced the size of the swim bladder (25 µM). In embryos, basal respiration, oligomycin-induced ATP production, and maximal respiration were decreased 30–60% following a 24 h exposure to 125 μM acetochlor. Acetochlor did not affect ROS levels up to 25 µM in larvae with acute exposure. Acetochlor at 25 µM increased mRNA levels of bax1 , hsp70 , and hsp90a by ~4-fold in larval zebrafish. In both the visual motor response and light-dark preference test, 25 µM acetochlor increased locomotor activity of larval fish. At lower exposure concentrations, 100 and 1000 nM acetochlor increased the mean time spent in the dark zone, suggesting promotion of anxiolytic behavior. This study presents a comprehensive evaluation of sublethal effects of acetochlor, spanning molecular responses to behavior, which can be used to refine risk assessment decisions for aquatic environments. [Display omitted] • Swim bladder malformation was observed with 25 µM acetochlor exposure. • Oxygen consumption rates were decreased following 24 h exposure to 125 µM acetochlor. • Pro-apoptotic bax 1 and heat shock protein expression were induced by 25 µM acetochlor. • Hyperactivity in larvae was observed following exposure to 25 µM acetochlor. • Concentrations of 100 and 1000 nM acetochlor increased the mean time spent in the dark zone, indicating anxiolytic behavior. [ABSTRACT FROM AUTHOR]

Strobilurin fungicides are among the most widely used in the world and have characteristics that include high water solubility and toxicity to aquatic organisms. While several studies report on mechanisms of toxicity of strobilurins in fish, there are no data on the sub-lethal toxicity of fish to the fungicide fenamidone. To address this gap, survival and hatch rate, deformities, mitochondrial bioenergetics, expression of oxidative stress and apoptotic genes, and behavior (locomotor activity and anxiolytic-related behaviors) were assessed in zebrafish embryos and larvae following exposure to fenamidone. Fenamidone negatively affected development of zebrafish embryos, causing a delay of hatching time at concentrations of 2.5 and 5 μM. Fenamidone caused morphological deformities in zebrafish, including pericardial edema, yolk sac edema, tail deformities, and spinal curvature. Exposure to 1.5 μM fenamidone reduced surface area of swim bladder in larvae at 6 dpf. Fenamidone significantly reduced oxygen consumption rates of embryos; 5 μM fenamidone decreased basal respiration (~85%), oligomycin induced ATP-linked respiration (~70%), FCCP-induced maximal respiration (~75%) and non-mitochondrial respiration (~90%) compared to controls. Sod2 mRNA levels were decreased by fenamidone in larval fish. Locomotor activity was significantly decreased in zebrafish larvae following exposure to 2 μM fenamidone but there was no evidence for anxiolytic nor anxiety-related behaviors (exposures of 100 nM up to 1.5 µM). This study addresses a data gap for potential risks associated with fenamidone exposure in developing fish. [Display omitted] • Deformities and reduced hatch rates were observed in fish exposed to 2.5 µM fenamidone. • Swim bladder formation was reduced in larvae by 1.5 µM fenamidone. • Fenamidone lowered basal, maximum, and non-mitochondrial respiration in embryos. • Sod2 expression was downregulated in larvae exposed to fenamidone. • Hypoactivity in larvae was observed with exposure between 1 and 2 µM fenamidone. [ABSTRACT FROM AUTHOR]

Abstract: Bread has a foam-like structure, but to date there is little information about the morphology of void structure in breads in three dimensions. In this paper, permeability testing and analysis of computer aided micro-tomography data were used to investigate the structure of breads as a function of connectivity of voids in a range of breads. The findings were related to bread properties obtained via material testing. Results indicated that a single, massively interconnected, open cell was responsible for approximately 99% of bread’s total porosity. Closed pores are also present with the number and average volume of closed pores significantly affecting strengths of bread crumbs. Bread behaved similarly to foams described by . The role of open and closed pores in affecting bread toughness and texture requires further investigation via structural–mechanical models. [Copyright &y& Elsevier]

Abstract: Solute carrier family 11 member 1 (Slc11a1) is a proton-mediated divalent metal cation transporter with 12 putative transmembrane domains. Variation in it reveals alterations in host resistance against intracellular pathogens. A naturally occurring glycine to aspartic acid mutation at position 169 (G169D) in the putative transmembrane domain 4 (TM4) makes mice susceptible to Salmonella typhimurim, Leishmania donovani, and Mycobacterium bovis. In this work, a 28-residue peptide corresponding to Slc11a1(164–191), including TM4 of Slc11a1, with G169D mutation is characterized using CD and NMR methods in 2,2,2-trifluoroethanol solvent and SDS micelles and the results of present study on the G169D peptide are compared with those of previous study on the wild-type peptide. Similarly to the wild-type peptide, the G169D peptide forms a predominantly α-helical structure and is totally embedded in SDS micelles as a homologous assembly. However, the G169D mutation changes the local conformation near the mutation site, the cooperative manner in proton binding of the residue Asp located in the center of SDS micelles and the interaction strength of this residue with Mn2+ ions. [Copyright &y& Elsevier]

Crop planting provided foods, generated incomes, and consumed water resources to different extents under different spatiotemporal agroclimatic conditions. For balancing three aspects, targeting the rice, maize, wheat, and sorghum planted in Liaoning during the recent two decades, we established an integrated research framework consisting of water footprint (WF) accounting, clustering analysis, and fuzzy optimization programming to quantify the temporal trends and spatial distribution of water footprints, and optimized the planting structure under the different spatiotemporal agroclimatic conditions. Results showed that the maximum water footprint differences were 4166.73 m3/t and 4790.71 m3/t in spatial distribution and temporal series, respectively. Based on precipitation, we established 12 agroclimatic scenarios according to K-Means clustering. The fuzzy optimization result indicated that the planting area percent ranges of maize, wheat, rice, and sorghum in Liaoning province were 4.96%–98.62%, 0.00%–8.55%, 0.00%–18.18%, and 0.00%–95.04%, respectively under the different spatiotemporal conditions. This study's methods and results help make targeted decisions related to grain planting structure while considering the complex spatial-temporal conditions. • The spatiotemporal heterogeneity of water footprint was extensive. • The cultivation technology was the essential factor for structure optimization. • It was hard to achieve targets of water resources, yields and income simultaneously. [ABSTRACT FROM AUTHOR]

[Display omitted] • DHA C-10 derivatives were designed, synthesized and evaluated by TLR4 antagonistic activities. • The electron-rich functional group is important for the DHA derivative's TLR4 antagonistic activity. • 2k with alkynyl as the end functional group exhibit 14 times more potent TLR4 antagonistic activity. • 2k inhibited LPS-induced TLR4 dimerization, endocytosis and NF-κB but not MAPKs activation. • DHA derivative 2k increased and prolonged morphine analgesia. Dihydroartemisinin (DHA), a natural product isolated from the traditional Chinese herb Artemisia annua and one of the clinical frontline drugs against malarial infections, has recently been discovered as a Toll-like Receptor 4 (TLR4) antagonist. However, the TLR4 antagonistic activity of DHA is modest and it exhibits cellular toxicity. In this work, the structure-activity relationship (SAR) of DHA as TLR4 antagonist was explored. Since destroying the sesquiterpene endoperoxide scaffold substantially compromised the TLR4 antagonistic activity and molecular dynamics analysis showed that the C-10 hydroxyl group formed a hydrogen bond with E72 of myeloid differentiation factor 2 (MD2) to prevent it moving deeper into MD2, SAR of DHA was focused on the C-10 hemiacetal position. With extending the length of the linear alkane chain at C10 position, the TLR4 antagonistic activity of DHA analogs increased first and then decreased with the best TLR4 antagonism occurring at the length of the carbon chain of 3–4 carbons. In contrast, the cellular toxicity of DHA analogs was raised with the increasing length of the linear alkane chain. The TLR4 antagonistic activity of DHA derivatives with substituted halogen as the terminal functional group decreased with the decrease of electronegativity of the substituted halogen, which implies the electron-rich functional group at the end of the alkane chain appears preferred. Therefore, DHA derivative 2k with alkynyl as the end functional group, exhibited 14 times more potent TLR4 antagonistic activity than DHA. Moreover, 2k showed less cellular toxicity than DHA. Cellular signaling characterizations indicated that 2k inhibited LPS-induced TLR4 dimerization and endocytosis and suppressed LPS-induced NF-κB but not MAPKs activation, culminating in blocking LPS-induced TLR4 signaling downstream pro-inflammatory factors NO and IL-1β. Further, 2k was active in vivo ; it significantly increased and prolonged morphine analgesia. Collectively, this study provides a structural guidance to reposition DHA derivatives as TLR4 antagonists. [ABSTRACT FROM AUTHOR]

Previous studies suggest that cadmium (Cd) is one of the causative factors of prostate cancer (PCa), but the effect of chronic Cd exposure on PCa progression remains unclear. Besides, whether long noncoding RNAs (lncRNAs) are involved in the regulation of prolonged exposure to Cd in PCa needs to be elucidated. In the present study, we found that the serum concentration of Cd in PCa patients was positively correlated with the Gleason score and tumor-node-metastasis (TNM) classification. To simulate chronic Cd exposure in PCa, we subjected PC3 and DU145 cells to long-term, low-dose Cd exposure and further examined tumor behavior. Functional studies identified that chronic Cd exposure promoted cell growth and ferroptosis resistance in vitro and in vivo. Furthermore, we found that lncRNA OIP5-AS1 expression was greatly elevated in PC3 and DU145 cells upon chronic Cd exposure. Dysregulation of OIP5-AS1 expression mediated cell growth and Cd-induced ferroptosis. Mechanistically, we demonstrated that OIP5-AS1 served as an endogenous sponge of miR-128-3p to regulate the expression of SLC7A11, a surrogate marker of ferroptosis. Moreover, miR-128-3p decreased cell viability by enhancing ferroptosis. Taken together, our data indicate that lncRNA OIP5-AS1 promotes PCa progression and ferroptosis resistance through miR-128-3p/SLC7A11 signaling. [Display omitted] • Long-term exposure to cadmium promotes cell growth and inhibits ferroptosis in prostate cancer. • LncRNA OIP5-AS1 facilitates cell growth and inhibits ferroptosis under chronic cadmium exposure. • LncRNA OIP5-AS1 acts as a competing endogenous RNA for miR-128-3p. • LncRNA OIP5-AS1 inhibits ferroptosis in prostate cancer cells via miR-128-3p/SLC7A11 signaling. [ABSTRACT FROM AUTHOR]

Ag 3 PO 4 is an indirect bandgap semiconductor with excellent photocatalytic activity. However, it has not been widely used so far for the treatment of polluted wastewaters. This scarce use in wastewater treatment can be mainly attributed to its large crystallite size, which would be due to rapid agglomeration during the synthesis process, as well as to the photo-corrosion problem affecting this material. Hence, it would be crucial to develop a photocatalytic system involving Ag 3 PO 4 nanoparticles with enhanced properties, such as higher specific surface area and excellent photocatalytic stability. To meet this demand, a novel Ag 3 PO 4 /boron carbon nitrogen (Ag 3 PO 4 /BCN) composite photocatalyst was successfully prepared in the present study via electrostatically driven self-assembly and ion exchange processes. After characterization and assessment, it was shown that the as-prepared Ag 3 PO 4 /BCN nanocomposite photocatalyst not only contains smaller Ag 3 PO 4 nanoparticles, but also exhibits an enhanced visible-light photocatalytic activity for Rhodamine B (RhB) Methyl Orange (MO) and Tetracycline (TC) and improved stability, without decrease after 5 cycles, compared with pure Ag 3 PO 4 nanoparticles. Positive synergy between Ag 3 PO 4 nanoparticles and BCN nanosheets, including the increase in the number of active adsorption sites, and the restriction of the formation of Ag due to the recombination of photogenerated electron-hole pairs in Ag 3 PO 4 nanoparticles, are mainly responsible for the enhanced properties of the prepared catalyst. This study shows that Ag 3 PO 4 /BCN composite photocatalyst would be promising for wastewater treatment, which would be of clearly environmental and public health relevance. [Display omitted] • Ag 3 PO 4 /BCN photocatalyst was synthesised via electrostatically driven self-assembly. • Recombination of photogenerated electron-hole pairs in Ag 3 PO 4 could be inhibited. • Ag 3 PO 4 /BCN dispalyed the enhanced photocatalytic activity compared with Ag 3 PO 4. [ABSTRACT FROM AUTHOR]

In China, studies on lead exposure to grownup are scarce compared to children, although relevant disease burdens for adults are much severe than that in developed countries. The present study evaluated blood lead levels (BLLs) in Chinese adults by data mining using Monte Carlo simulation. A total of 115 scientific studies published between January 1980 and March 2021 reflecting 45,514 Chinese adults were included in the study. After a continuous increase in Chinese adult BLLs from 1980–1983 (GM 74.84 μg/L) to 1994–1996 (GM 92.27 μg/L), BLLs began to decline from 2000–-2002 (GM 80.32 μg/L) to 2016–2018 (GM 21.57 μg/L). This decline implied that the lead phase-out policy in gasoline was effective over the past two decades. The study indicated that North, South, and Southwest China were still relatively high compared to other regions in the past decade. Statistical analysis showed that BLLs of males (GM 68.45 μg/L) were higher than females (GM 56.51 μg/L), smokers (GM 80.96 μg/L) higher than nonsmokers (GM 58.95 μg/L), and populations over 40 (GM 40.43 μg/L) higher than younger populations (GM 40.37 μg/L). The significantly positive correlation between the concentrations of PM2.5 and topsoil lead and BLLs in Chinese adults indicated that air and soil pollution affect adult BLLs. Taken together, our results showed that strict lead control strategies and regular bio-monitoring are needed to maintain low BLLs in the population. [Display omitted] • Blood lead levels of Chinese adults declined since 2002, as determined by Monte Carlo simulation. • Adult blood lead levels were still high in Southwest, North, and South China compared to the rest of China. • Blood lead levels were higher in men, smokers, and people 40 years of age and older. • The concentration of PM2.5 in ambient air had the strongest association with adult blood lead levels. [ABSTRACT FROM AUTHOR]

[Display omitted] An injectable hydrogel dressing, Zr/Fc-MOF@CuO 2 @FH, was constructed by combing acid-triggered chemodynamic treatment (CDT) with low-temperature photothermal treatment (LT-PTT) to effectively eliminate bacteria without harming the surrounding normal tissues. The Zr/Fc-MOF acts as both photothermal reagent and nanozyme to generate reactive oxygen species (ROS). The CuO 2 nanolayer can be decomposed by the acidic microenvironment of the bacterial infection to release Cu2+ and H 2 O 2 , which not only induces Fenton-like reaction but also enhances the catalytic capability of the Zr/Fc-MOF. The generated heat augments ROS production, resulting in highly efficient bacterial elimination at low temperature. Precisely, injectable hydrogel dressing can match irregular wound sites, which shortens the distance of heat dissipation and ROS diffusion to bacteria, thus improving sterilization efficacy and decreasing non-specific systemic toxicity. Both in vitro and in vivo experiments validated the predominant sterilization efficiency of drug-resistant methicillin-resistant Staphylococcus aureus (MRSA) and kanamycin-resistant Escherichia coli (KREC), presenting great potential for application in clinical therapy. [ABSTRACT FROM AUTHOR]

Endocrine disrupting chemicals can mimic, block, or interfere with hormones in organisms and subsequently affect their development and reproduction, which has raised significant public concern over the past several decades. To investigate (quantitative) structure–activity relationship, 8280 compounds were compiled from the Tox21 10K compound library. The results show that 50% activity concentrations of agonists are poorly related to that of antagonists because many compounds have considerably different activity concentrations between the agonists and antagonists. Analysis on the chemical classes based on mode of action (MOA) reveals that estrogen receptor (ER) is not the main target site in the acute toxicity to aquatic organisms. Binomial analysis of active and inactive ER agonists/antagonists reveals that ER activity of compounds is dominated by octanol/water partition coefficient and excess molar refraction. The binomial equation developed from the two descriptors can classify well active and inactive ER chemicals with an overall prediction accuracy of 73%. The classification equation developed from the molecular descriptors indicates that estrogens react with the receptor through hydrophobic and π-n electron interactions. At the same time, molecular ionization, polarity, and hydrogen bonding ability can also affect the chemical ER activity. A decision tree developed from chemical structures and their applications reveals that many hormones, proton pump inhibitors, PAHs, progestin, insecticides, fungicides, steroid and chemotherapy medications are active ER agonists/antagonists. On the other hand, many monocyclic/nonaromatic chain compounds and herbicides are inactive ER compounds. The decision tree and binomial equation developed here are valuable tools to predict active and inactive ER compounds. [Display omitted] • Many active agonists are also active antagonists but there is poorly correlation between their activity concentrations. • Estrogen receptor is not the target receptors in the acute toxicity to aquatic organisms. • Hydrophobic and π-n electron interactions are the main interactions between ER and compounds. • A decision tree has been developed to identify active and inactive ER compounds. [ABSTRACT FROM AUTHOR]

Previous studies have shown that multiple imbalances of metal ions in the brain are closely associated with the neurodegenerative disorders. Our studies have shown that long-term working exposure to aluminum induces increased plasma aluminum levels and causes cognitive impairment in workers at aluminum factories. To explore the levels of nine metals in plasma and the effect on cognitive function among in-service workers. In this cross-sectional study, cognitive function was assessed using the Montreal Cognitive Assessment (MoCA), which included seven subitems: executive/visuospatial abilities; naming; attention and calculation; language; abstract; recall; and orientation. The plasma levels of nine kinds of metals were measured by inductively coupled plasma-mass spectrometry (ICP-MS). A multivariate generalized linear regression model and Bayesian kernel machine regression (BKMR) were selected to estimate the relationship between metal plasma level and MoCA scores with adjustment for confounders. One hundred and eighty-seven workers participated in this study. In the multivariable generalized linear model, among these nine metals studied, five were related to the MoCA score: aluminum, lithium, cobalt, zinc and chromium. In the BKMR model, a significantly negative correlation between the plasma aluminum, lithium and the total MoCA score was observed. Moreover, for subitems on the MoCA scale, the plasma levels of lithium, aluminum, and zinc had a significant correlation with the executive/visuospatial abilities, naming, and orientation abilities, respectively. The log-transformation concentrations of plasma aluminum and lithium were negatively correlated with the executive/visuospatial abilities and naming abilities, respectively. The log-transformation plasma zinc concentration was positively correlated with orientation abilities. Based on the results, we determined that increased aluminum and lithium and decreased zinc levels in plasma were associated with the incidence of mild cognitive impairment (MCI) in workers at a Chinese aluminum plant. • The joint metals exposure was studied. • With the increase of aluminum and lithium, the total MoCA shows a downward. • Lithium affects executive/visuospatial, naming is affected by aluminum, and zinc is affect orientation. [ABSTRACT FROM AUTHOR]

Optimizing the extraction of volatile compounds and establishing their effect on sensory quality are vital for understanding the quality of miso. The extraction condition were optimized using three types of sample preparation strategy (raw, solution, and supernatant), and four extraction temperatures (35, 50, 65, and 80 °C) for headspace gas chromatography–mass spectrometry (HS-GC-MS). The optimized extraction conditions used raw samples at 80 °C which reliably detected the greatest number of volatile compounds in miso. These conditions were used to identify 46 volatile compounds in the flavor profiles of miso produced from 2015 to 2018. Correlations between the detected volatile compounds and the quality rankings based on sensory evaluation showed that the intensity of most detected volatile compounds, particularly aldehydes and esters, was positively associated with miso quality. Principal component analysis on data from miso groups with different quality classifications clarified the contribution of the detected volatile compounds to miso quality. • The optimized conditions for analyzing volatiles in miso were investigated. • GC-MS identified 46 volatile compounds in miso samples produced from 2015 to 2018. • The impact of volatile compounds on the final quality of miso were studied. • High-quality miso was considered to be associated with an intense flavor. [ABSTRACT FROM AUTHOR]

Abdominal aortic aneurysm (AAA) is a fatal vascular disease with insidious symptoms. However, the mechanism behind its development remains unclear. The transient receptor potential vanilloid (TRPV) family has crucial protective effects against cardiovascular diseases, but the role of TRPV5 in AAA has yet to be reported. In this study, ApoE−/− mice were intraperitoneally injected with AAV-GFP or AAV-TRPV5. After 30 days, mice were further administered with angiotensin II (Ang II, 1.44 mg/kg/day) by using osmotic pumps to induce the AAA model or Saline for 28 days, (i.e., Saline + AAV-GFP, Saline + AAV-TRPV5, Ang II + AAV-GFP and Ang II + AAV-TRPV5 groups were established). Compared with the control group, the incidence of AAA and the maximal diameter of the abdominal aorta markedly decreased in Ang II + AAV-TRPV5, which was detected by vascular ultrasound at 28 day. Meanwhile, less collagen and elastin degradation were observed in the Ang II + AAV-TRPV5 group by using Masson and Elastin stains. Moreover, more α-SMA and less MMP2 was observed in the abdominal aortas collected at 28 day by immunohistochemistry. In vitro , primary mouse vascular smooth muscle cells (VSMCs) were treated with Ang II (1 μM) to induce phenotype switch. Sh-TRPV5 and AdTRPV5 were used to transfect VSMCs. PCR and Western blotting were used to access the expression of contractile marker, including α-SMA and SM-22α. The results showed that the mRNA and protein level of α-SMA and SM-22α were decreased under the stimulation of Ang II, but could be attenuated by TRPV5 overexpression. The cell scratch assay demonstrated that the migration ability of VSMCs was increased in Ang II treated group and could be ameliorated by TRPV5 overexpression. Above all, VSMCs transformed from the contractile into secretory phenotype under Ang II stimuli, but could be rescued by TRPV5 overexpression. Furthermore, TRPV5 overexpression suppressed the increased expression of KLF4 induced by Ang II treatment in VSMCs. The data demonstrated that TRPV5 could inhibit AAA formation and play a critical role in the VSMC phenotype switch by downregulating KLF4, suggesting TRPV5 as a new strategy for treating AAA. • TRPV5 overexpression in VSMCs prevents Ang II-induced AAA formation in ApoE−/− mice. • TRPV5 overexpression suppresses Ang II-induced VSMC phenotype switch. • TRPV5 overexpression suppresses Ang II-induced VSMC phenotype switch via the downregulation of KLF4. [ABSTRACT FROM AUTHOR]

In this work, carboxyl-functionalized hollow polymer microspheres (CHPMs) was successfully fabricated using poly (styrene-itaconic anhydride) particles as the core template and itaconic anhydride and trans-anethole cross-linked with divinylbenzene as the shell. The desirable microspheres and hollow structure of CHPMs were demonstrated by scanning and transmission electron microscopies, respectively. The characterized CHPMs as an adsorbent was packed into a solid phase extraction column to simultaneously detect the V(V), Cr(III), Cu(II), Cd(II), and Pb(II) in digested food samples by inductively coupled plasma-mass spectrometry (ICP-MS). A series of experimental parameters of solid-phase extraction (SPE) were investigated through vast experiments to improve sensitivity of the proposed method in metal ions detection. The detection limits of the method reached 0.8–3.2 ng L−1 for the target elements, and the relative standard deviations (RSDs) ranging from 1.2% to 3.5% were obtained from eleven parallel experiments using a 1.0 μg L−1 sample solution. The stability allowed the material to withstand more than 15 cycling while the recoveries remained above 88%. In food samples, the detection limits were at 0.20–0.80 μg kg−1, and satisfactory recoveries of 85–104% were obtained in spike tests of laver, fish as well as chicken. Here, we prepared carboxyl-functionalized hollow polymer microspheres (CHPMs) using poly (styrene-itaconic anhydride) particles as the core template and itaconic anhydride (IAH) and trans-anethole (ANE) cross-linked with divinylbenzene as the shell. The CHPMs as an adsorbent was packed into a solid phase extraction column to simultaneously detect the V(V), Cr(III), Cu(II), Cd(II), and Pb(II) in digested food samples by inductively coupled plasma-mass spectrometry (ICP-MS). ga1 • Novel adsorbent of carboxyl-functionalized hollow polymer microspheres were fabricated. • It simultaneously detect the V(V), Cr(III), Cu(II), Cd(II), and Pb(II) in digested food samples. • The submicron-sized hollow structure and abundant carboxyl groups of the adsorbent. • ICP-MS assisted with SPE method based on the prepared adsorbent was established. • The method exhibited excellent anti-interference and high recoveries in the elements analysis of practical samples. [ABSTRACT FROM AUTHOR]

A mildly one-pot method is developed for the synthesis of quasi-networked Au 1.5 Pt 1 Co 1 ternary alloy nanoparticles (TANPs) at room temperature through the co-reduction of AuCl 4 -, PtCl 6 - and Co2+ with hydrazine hydrate. Characterizations of XRD, XPS, HRTEM, EDS and SAED successfully reveal the crystal structure, composition, valence and morphology of Au 1.5 Pt 1 Co 1 TANPs, respectively. The glassy carbon electrode (GCE) modified by Au 1.5 Pt 1 Co 1 TANPs with good dispersion and multi-density surface defects occupies the optimal electrochemical active surface area (ECSA). After the coated poly-L-cysteine (P-L-Cys) film on the Au 1.5 Pt 1 Co 1 /GCE surface, the morphology, element mapping and surface roughness of the P-L-Cys/Au 1.5 Pt 1 Co 1 /GCE are investigated via FESEM and AFM to verify continuous electrode modification processes. The electrochemical behaviors of the composite electrode for hydroquinone (HQ) are evaluated by cyclic voltammetry (CV) with interfacial properties of adsorption and diffusion. Differential pulse voltammetry (DPV) for HQ electrochemical sensing at 0.10 V (vs. SCE) exhibits two linear response ranges from 0.1 to 30 and 30–200 μM, respectively. A low detection limit (S/N = 3) of 0.045 μM is obtained with a sensitivity of 4.247 μA μM−1·cm−2. The resulting P-L-Cys/Au 1.5 Pt 1 Co 1 /GCE also presents ascendant selectivity, repeatability, reproducibility and stability. In addition, the established method is applied to the assessment of the HQ level in real water samples (mineral water, tap water and lake water) with the satisfactory results of spiked recoveries. The sensor may become a promising tool for the trace analysis of the electroactive substance in food or environmental samples. Image 1 • Quasi-networked Au 1.5 Pt 1 Co 1 ternary alloy nanoparticles (TANPs) are prepared through a one-pot method at room temperature. • The GCE decorated by Au 1.5 Pt 1 Co 1 TANPs with good dispersivity and high-density defects provides a favorable scaffold. • The P-L-Cys/Au 1.5 Pt 1 Co 1 /GCE exhibits excellentperformance towards hydroquinone (HQ) sensing. [ABSTRACT FROM AUTHOR]

[Display omitted] The development of an environmental-friendly thermal insulation and flame retardant material has attracted widespread attention in modern architecture. In this work, a kind of novel aerogel composites were prepared by incorporation of Mg(OH) 2 coated hollow glass microspheres (HGM) into chitosan (CSA) matrix and then cross-linking by glutaraldehyde (abbreviated as CSA-HGM-Mg(OH) 2). The as-prepared composite aerogel exhibits vertical directional channel with high porosity and excellent thermal insulation with a low thermal conductivity of 0.035 W m−1 k−1. Besides, it shows excellent flame retardancy with a high limit oxygen index (LOI) value up to 50.8, which is one of the highest values among the most of flame retardants reported previously. Also, a very low peak heat release rate (pHRR) of 24.12 kW m−2 was obtained which makes the aerogel composite reaching UL-94 V-0 rating. Such results may be attributed to a synergy effect by combination of its abundantly porous structure derived from HGM to give a better thermal insulation and excellent nonflammability of CSA and Mg(OH) 2 to offer a superior flame retardancy. Taking advantages of its high mechanical strength, low cost materials, simple and scalable preparation method, CSA-HGM-Mg(OH) 2 aerogel composites may hold great potential for future thermal insulation and flame retardant applications. [ABSTRACT FROM AUTHOR]

Coenzyme Q 0 (CoQ 0) has demonstrated antitumor, anti-inflammatory, and anti-angiogenic activities. Cronobacter sakazakii is an opportunistic foodborne pathogen associated with high mortality in neonates. In this study, the antimicrobial activity and possible antimicrobial mechanism of CoQ 0 against C. sakazakii were investigated. Moreover, the inactivation effect of CoQ 0 on C. sakazakii in biofilms was also evaluated. The minimum inhibitory concentration (MIC) of CoQ 0 against C. sakazakii strains ranged from 0.1 to 0.2 mg/mL. Treatment caused cell membrane dysfunction, as evidenced by cell membrane hyperpolarization, decreased intracellular ATP concentration and cell membrane integrity, and changes in cellular morphology. CoQ 0 combined with mild heat treatment (45, 50, or 55 °C) decreased the number of viable non-desiccated and desiccated C. sakazakii cells in a time- and dose-dependent manner in reconstituted infant milk. Furthermore, CoQ 0 showed effective inactivation activity against C. sakazakii in biofilms on stainless steel, reducing the number of viable cells and damaging the structure of the biofilm. These findings suggest that CoQ 0 has a strong inactivate effect on C. sakazakii and could be used in food production environments to effectively control C. sakazakii and reduce the number of illnesses associated with it. • The antimicrobial effect of CoQ 0 against C. sakazakii was assessed. • CoQ 0 caused cell membrane dysfunction. • CoQ 0 combined with mild heat treatment decreased viable cell numbers in RIF. • CoQ 0 inactivated C. sakazakii in biofilms on stainless steel. [ABSTRACT FROM AUTHOR]

To construct a model for predicting the carbonyl compound content of oil during frying, changes in the unsaturated fatty acid, tocopherol, and carbonyl value (CV) of 10 commercial edible oils during frying at 180 °C were investigated. The initial contents of total unsaturated fatty acid, total tocopherol (TToc), and carbonyl value (CV 0) in 10 oils were distributed in the range of 83.49%–95.28%, 16.40–236.05 mg/100 g, and 2.36–6.30 μmol/g, respectively. During frying, the CV of 10 oils increased linearly with heating time at different rates. The effects of intrinsic factors (unsaturated fatty acid and tocopherol) on the CV increase were revealed by using multiple regression analysis. The results indicated that polyunsaturated fatty acid (PUFA) and γ-tocopherol had the greatest effects on the CV increase, respectively. Based on these results, the ratio of the initial content of PUFA to that of TToc was selected as a prediction index and a prediction model, C V t = [ 4.37 ( P U F A T T o c ) 2 − 5.64 ( P U F A T T o c ) + 3.36 ] t + C V 0 , was established. Using this model, the CV of edible oil during frying at 180 °C can be predicted from the initial composition of the oil, or the frying life of edible oil can be inferred according to the maximum allowable CV (50 μmol/g) stipulated by regulations. • Changes in carbonyl value (CV) of ten oils were analyzed during frying at 180 °C. • Effects of unsaturated fatty acids were greater than tocopherols on the CV increase. • An index was obtained from ratio of the initial content of PUFA to total tocopherol. • A model was developed to predict CV of frying oil without frying experiment. [ABSTRACT FROM AUTHOR]

Planetary gearboxes are the key components of various rotating machineries, so it is of great significance to analyze their dynamic characteristics under the local gear faults for assuring the high reliability and service performance of equipment. Pitting is the most typical gear fault, and it can be approximately treated as part of a sphere. When multiple pittings are randomly distributed, they probably overlap, the effect of overlapping pittings on mesh stiffness is more complex. Additionally, sliding friction is another important factor affecting mesh stiffness. It follows that a new time-varying mesh stiffness model considering time-varying friction is established to characterize the spherical overlapping pittings. In particular, considering that the cross-section shapes of overlapping pittings are irregular, a piecewise integration method is proposed for calculating multiple tooth meshing contact lines. Then a multi-degree-of-freedom nonlinear fault dynamics model of planetary gearbox is built based on time-varying meshing force, time-varying friction force, and inertial force. Via different degrees of pittings at different locations, the simulation results validate the positive roles of the proposed time-varying mesh stiffness model and time-varying friction excitation in the dynamic responses of planetary gearboxes. Finally, the experiments on faulty planetary gearboxes are performed, and the comparative results verify the superiority of the proposed model over the existing models. [ABSTRACT FROM AUTHOR]