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Abstract First-principle calculations based on density functional theory are employed to investigate the impact of graphene insertion on the electronic properties and Schottky barrier of MoS2/metals (Mg, Al, In, Cu, Ag, Au, Pd, Ti, and Sc) without deteriorating the intrinsic properties of the MoS2 layer. The results reveal that the charge transfer mainly occurs at the interface between the graphene and metal layers, with smaller transfer at the interface between bi-layer garphene or between graphene and MoS2. And the tunneling barrier exists at the interface between graphene and MoS2, which hinders electron injection from graphene to MoS2. Importantly, the Schottky barrier height ( $$\Phi_{{\text{SB,N}}}$$ Φ SB,N ) decreases upon graphene insertion into MoS2/metal contacts. Specifically, for single-layer graphene, the $$\Phi_{{\text{SB,N}}}$$ Φ SB,N of MoS2 contacted with Mg, In, Sc, and Ti are − 0.116 eV, − 0.116 eV, − 0.014 eV, and − 0.116 eV, respectively. Furthermore, with bilayer graphene, when by inserting bi-layer graphene, the negative n-type Schottky barrier of − 0.086 eV, − 0.114 eV, − 0.059 eV, − 0.008 eV, and − 0.0636 eV are observed for MoS2 contacted with the respective metals, respectively. These findings provide a practical guidance for developing and designing high-performance transition metal dichalcogenide nanoelectronic devices.

Variations in local strain, defect densities, and composition of hybrid metal-halide perovskites have been reported to create heterogeneous energy landscapes in thin films, which impact charge-carrier diffusion and recombination dynamics. Here, we employ one- and two-photon transient absorption spectroscopy to selectively probe the dynamics of charge carriers from surface and bulk regions of methylammonium lead bromide thin films. Differences in the transient absorption spectra indicate that an energy gradient of approximately 100 meV is formed between the higher band-gap surface and lower band-gap bulk regions. Thus, during their lifetime, photoexcited carriers move away from the surface to recombine in the bulk, where our experiments detect long-lived charge populations despite the significant band splitting that has conventionally been assumed to inhibit efficient radiative recombination. Supported by first-principles calculations, we demonstrate that bright emission can still arise from the bulk with states that occupy a wide range of momenta in the vicinity of the band extrema, which show strong dipole transitions. Our results report that photoexcitations in the hybrid perovskites avoid defect-rich surface regions, and that particularly strong emission is generated from accumulated excitation populations in the bulk.

Understanding the oceanic carbon cycle, particularly in the Arctic regions, is crucial for addressing climate change. However, significant research gaps persist, especially regarding climate effects on the oceanic carbon cycle in these regions. This review systematically explores Arctic-related research, focusing on mechanisms, regulatory frameworks, and modelling approaches in the oceanic carbon cycle, carbon sink, climate change impact, and maritime shipping. The findings highlight the Arctic’s limited observer presence and high operational costs, hindering the data availability and studies on carbon-cycle changes. This underscores the need to integrate real-time Arctic Ocean monitoring data. Carbon sink research urgently requires direct methods to measure anthropogenic carbon uptake and address uncertainties in air–ocean carbon fluxes due to sea ice melting. Unlike terrestrial carbon cycling research, carbon-cycle studies in the oceans, which are essential for absorbing anthropogenic emissions, receive insufficient attention, especially in the Arctic regions. Numerous policies often fall short in achieving effective mitigation, frequently depending on voluntary or market-based approaches. Analyzing carbon-cycle and sink models has uncovered limitations, primarily due to their global perspective, hampering in-depth assessments of climate change effects on the Arctic regions. To pave the way for future research, enhancing Arctic Ocean climate data availability is recommended, as well as fostering international cooperation in carbon-cycle research, enforcing carbon policies, and improving regional modelling in the Arctic Ocean.

Abstract Development of distant metastasis is the main cause of deaths in prostate cancer (PCa) patients. Understanding the mechanism of PCa metastasis is of utmost importance to improve its prognosis. The role of exosomal long noncoding RNA (lncRNA) has been reported not yet fully understood in the metastasis of PCa. Here, we discovered an exosomal lncRNA HOXD-AS1 is upregulated in castration resistant prostate cancer (CRPC) cell line derived exosomes and serum exosomes from metastatic PCa patients, which correlated with its tissue expression. Further investigation confirmed exosomal HOXD-AS1 promotes prostate cancer cell metastasis in vitro and in vivo by inducing metastasis associated phenotype. Mechanistically exosomal HOXD-AS1 was internalized directly by PCa cells, acting as competing endogenous RNA (ceRNA) to modulate the miR-361-5p/FOXM1 axis, therefore promoting PCa metastasis. In addition, we found that serum exosomal HOXD-AS1 was upregulated in metastatic PCa patients, especially those with high volume disease. And it is correlated closely with Gleason Score, distant and nodal metastasis, Prostatic specific antigen (PSA) recurrence free survival, and progression free survival (PFS). This sheds a new insight into the regulation of PCa distant metastasis by exosomal HOXD-AS1 mediated miR-361-5p/FOXM1 axis, and provided a promising liquid biopsy biomarker to guide the detection and treatment of metastatic PCa.

Abstract The increasing oil demand and busy waterways highlight the importance of oil spill preparedness and responses. Dispersants attract attention as an effective response tool to manage the impacts of major spill incidents. Despite in-depth laboratory evaluations on the effectiveness of chemical dispersants and their impacts on the transportation and fate of spilled oils, how dispersant works at sea remains a question and calls for the tests with greater realism to validate laboratory results, bring in energy impacts, and evaluate dispersant application equipment. Mesoscale studies and field trials have thus been widely conducted to assist better spill response operations. Such research attempts, however, lack a systematic summary. This study tried to fill the knowledge gaps by introducing the mesoscale facilities developed to advance the understanding of dispersant effectiveness on various sea conditions. An up-to-date overview of mesoscale studies and field trial assessments of dispersant effectiveness has also been conducted. We ended this review by highlighting the importance of public perception and future research needs to promote the approval and application of dispersants in spill incidents.

Abstract Hydrological models are widely used as simplified, conceptual, mathematical representatives for water resource management. The performance of hydrological modeling is usually challenged by model calibration and uncertainty analysis during modeling exercises. In this study, a multicriteria sequential calibration and uncertainty analysis (MS-CUA) method was proposed to improve the efficiency and performance of hydrological modeling with high reliability. To evaluate the performance and feasibility of the proposed method, two case studies were conducted in comparison with two other methods, sequential uncertainty fitting algorithm (SUFI-2) and generalized likelihood uncertainty estimation (GLUE). The results indicated that the MS-CUA method could quickly locate the highest posterior density regions to improve computational efficiency. The developed method also provided better-calibrated results (e.g., the higher NSE value of 0.91, 0.97, and 0.74) and more balanced uncertainty analysis results (e.g., the largest P/R ratio values of 1.23, 2.15, and 1.00) comparing with other traditional methods for both case studies.

This study explored the combined disruption mechanism of polychlorinated naphthalenes (PCNs) on the three key receptors (estrogen receptor, thyroid receptor, and adrenoceptor) of the human endocrine system. The intensity of PCN endocrine disruption on these receptors was first determined using a molecular docking method. A comprehensive index of PCN endocrine disruption to human was quantified by analytic hierarchy process and fuzzy analysis. The mode of action between PCNs and the receptors was further identified to screen the molecular characteristics influencing PCN endocrine disruption through molecular docking and fractional factorial design. Quantitative structure–activity relationship (QSAR) models were established to investigate the toxic mechanism due to PCN endocrine disruption. The results showed that the lowest occupied orbital energy (ELUMO) was the most important factor contributing to the toxicity of PCNs on the endocrine receptors, followed by the orbital energy difference (ΔE) and positive Millikan charge (q+). Furthermore, the strategies were formulated through adjusting the nutritious diet to reduce health risk for the workers in PCN contaminated sites and the effectiveness and feasibility were assessed by molecular dynamic simulation. The simulation results indicated that the human health risk caused by PCN endocrine disruption could be effectively decreased by nutritional supplementation. The binding ability between PCNs and endocrine receptors significantly declined (up to −16.45%) with the supplementation of vitamins (A, B2, B12, C, and E) and carotene. This study provided the new insights to reveal the toxic mechanism of PCNs on human endocrine systems and the recommendations on nutritional supplements for health risk reduction. The methodology and findings could serve as valuable references for screening of potential endocrine disruptors and developing appropriate strategies for PCN or other persistent organic pollution control and health risk management.

Mechanical oil recovery, a most used tool for oil spill response, can generate a considerable proportion of oil-contaminated water (10–70%). Large storage space is commonly required to transport the recovered oil and water mixture to shore. Transit and transportation consume loads of time, money, and resources while reducing oil recovery’s overall efficiency and capacity. Techniques of on-site treatment and disposal of oily wastewater provide benefits for oil recovery by freeing storage space. However, the high petroleum content of decant water can lead to uncertain risks, if discharged into the marine ecosystem. Insufficient ecological toxicity data and research limit the standardization and establishment of regulative tools. To fill the knowledge gaps, this review comprehensively summarized recent studies on the potential impacts of the organic composition in decant water, including oil–water accommodated fractions, dispersed oil droplets, and other related chemicals, on various marine species (i.e., bacterium, invertebrates, fishes, plants, reptiles, and mammals). The toxicity effects and the ecological endpoints of oils, TPH, and PAHs on different species were discussed. Recommendations for future ecological impacts and decant water composition were provided to support the on-site disposal of the water fraction.

Synthetic musks (SMs) have been widely used as odor additives in personal care products (PCPs). Dermal exposure to SMs is the main pathway of the accumulation of these chemicals in human kerateins and poses potential health risks. In this study, in silico methods were established to reduce the human health risk of SMs from dermal exposure by investigating the risk mechanisms, designing lower bioaccumulation ability SMs and suggesting proper PCP ingredients using molecular docking, molecular dynamics simulation, and quantitative structure-activity relationship (QSAR) models. The binding energy, a parameter reflecting the binding ability of SMs and human keratin protein (4ZRY), was used as the indicator to assess the human health risk of SMs. According to the mechanism analysis, total energy was found as the most influential molecular structural feature influencing the bioaccumulation ability of a SM, and as one of the main factors influencing the function (i.e., odor sensitivity) of an SM. The 3D-QSAR models were constructed to control the human health risk of SMs by designing lower-risk SMs derivatives. The phantolide (PHAN)− 58 was determined to be the optimum SM derivative with lower bioaccumulation ability (reduced 17.25%) and improved odor sensitivity (increased 7.91%). A further reduction of bioaccumulation ability of PHAN-58 was found when adding proper body wash ingredients (i.e., alkyl ethoxylate sulfate (AES), dimethyloldimethyl (DMDM), EDTA-Na4, ethylene glycol distearate (EGDS), hydroxyethyl cellulose (HEC), lemon yellow and octyl glucose), leading to a significant reduction of the bioaccumulation ability (42.27%) compared with that of PHAN. Results demonstrated that the proposed theoretical mechanism and control strategies could effectively reduce the human health risk of SMs from dermal exposure.

There is an urgent call for contingency planning with effective and eco-friendly oil spill cleanup responses. In situ burning, if properly applied, could greatly mitigate oil in water and minimize the adverse environmental impacts of the spilled oil. Chemical herders have been commonly used along with in situ burning to increase the thickness of spilled oil at sea and facilitate combustion. These chemical surfactant-based agents can be applied to the edges of the oil slick and increase its thickness by reducing the water–oil interfacial tension. Biosurfactants have recently been developed as the next generation of herds with a smaller environmental footprint. In this study, the biosurfactant produced by Rhodococcus erythropolis M25 was evaluated and demonstrated as an effective herding agent. The impact of environmental and operational factors (e.g., temperature, herder dose, spilled oil amount, water salinity, and operation location) on its performance was investigated. A five-factor fractional design was applied to examine the importance of these factors and their impact on herding effectiveness and efficiency. The results of this study showed that higher temperature and a higher dose of herder could result in an increased oil slick thickness changing rate. Differences in water salinity at the same temperature led to the same trend, that is, the herding process effectively goes up with increasing herder–oil ratio (HOR). Further large-scale testing needs to be conducted for evaluating the applicability of the developed bioherder in the field.

Objective To find out the contamination, antimicrobial resistance, virulence gene distribution and genotyping of Vibrio parahaemolyticus in different kinds of marine products in Chengdu. Increase the basic data on the prevalence and risk assessment of foodborne Vibrio parahaemolyticus in Chengdu. Methods According to GB 4789.7-2013, suspected strains of Vibrio parahaemolyticus were isolated from different marine products and accurately identified by biochemical tests and 16S rDNA sequencing. The antimicrobial resistance test of the isolated strains was carried out by Kirby-Bauer disk diffusion method. Two virulence genes related to its pathogenicity were detected by polymerase chain reaction (PCR), and then the isolated strains were typed by multilocus sequence typing. Results A total of 104 strains of Vibrio parahaemolyticus were isolated from 380 seafood samples collected, with an overall detection rate of 27.4%. Antimicrobial resistance test showed that 97.1% (101/104) of the isolates had resistance, of which the drug resistance rate to ampicillin was the highest (95.2%, 99/104). The harboring rate of trh gene among the isolated strains was 12.5% (13/104), and was 0.1% (1/104) for tdh gene.104 isolates were divided into 38 ST types, of which ST1801, ST392 and ST413 were at high level. No epidemic clone group was found in the isolates. Conclusion There were differences in the contamination rate, antimicrobial resistance, and virulence genes distribution of Vibrio parahaemolyticus in different kinds of marine products, which might be related to the breeding environment and transportation conditions.

Objective. To explore the underlying mechanism of the sonic hedgehog (Shh) signaling pathway in promoting cell proliferation and migration in fibroblast-like synoviocytes (FLS) from patients with rheumatoid arthritis (RA). Method. FLS were collected from 8 patients with RA and 3 patients with osteoarthritis (OA). The expression of smoothened (Smo, the Shh pathway activator) was quantified by real-time PCR and western blot. FLS were incubated with cyclopamine (a Smo antagonist), purmorphamine (a Smo agonist), Y27632 (a Rho/ROCK signaling inhibitor), or a combination of purmorphamine and Y27632, respectively. Cell proliferation was examined using cell counting kit-8 and cell cycle assays while cell migration was measured with Transwell and wound healing assays. Results. The expression of Smo was higher in FLS from RA patients than from OA patients (p

Synthetic musks (SMs) are odor additives commonly used in the personal care products. Their wide existence in the environment and the recently reported adverse impact on the production and activity of progesterone and estrogen have raised pregnancy red flags and even lead to a pregnancy loss. Apart from the suggestion of limiting SM contact and exposure, effective abortion risk control measures for SMs remain to be blank. Facing the above challenges, this study tried to establish a new theoretical circumvention strategy to reduce the abortion risk of SMs to pregnant women by designing the supplementary diet plan and environmentally friendly SMs derivatives using molecular docking and three-dimensional quantitative structure–activity relationship (3D-QSAR) models. According to the supplementary diet plan, the diet combination of vitamin E, vitamin B2, niacin, vitamin A, and vitamin B6 were confirmed to not only provide essential nutrients for human health, but also reduce the abortion risk in pregnant women in daily life. The multi-activity (binding ability of SMs with progesterone-estrogen) 3D-QSAR model was constructed to screen SMs derivatives. The LibDock score, a parameter reflecting the binding ability between SMs’ Derivative-24 with progesterone-estrogen, decreased as much as 137.67% compared with its precursor galaxolide (HHCB). The 3D-QSAR models assisted screening indicated that Derivative-24 had lower environmental impacts (i.e., bioconcentration and mobility) and improved functional properties (odor stability, musky scent, and odor intensity). The integration of the optimum candidate, Derivative-24, with optimum three supplementary diet plans exhibited a much lower abortion risk than HHCB, demonstrating the effectiveness of the proposed theoretical circumvention strategy as a comprehensive abortion risk control measure. It also shed light on the design of new pharmaceutical and personal care products using advanced computing tools.

Understanding the interactions between solute atoms and crystalline defects is essential for determining alloy properties. Here the authors use a linear regression model to propose a quantitative correlation between local electronic structure descriptors and the solute-defect interaction energies in bcc refractory alloys.

Monitoring of environmental contaminants serves a vital role in proactive environmental management and pollution control. Research efforts have been centered on the development of robust whole-cell biosensors in recent years. However, data acquisition, multiple contaminants detection and biosafety issues limit the on-site application of such biosensors. Microfluidic system exhibits great potential to face these challenges via coupling biosensors. Here, we prospect a novel microfluidic based whole-cell biosensor (MWCB) for multiplexing monitoring of diverse contaminants, and design strategies to further increase the specificity, sensitivity and accuracy, reduce signal delay and expand shelf life of the proposed MWCB for on-site environmental applications. The development of MWCB demands multidisciplinary cooperation, and the sensing platforms are highly promising for real-world contaminants monitoring.

Droplet size distribution of dispersed oil in deep-water is critical to the transport and biodegradation of spilled oil in deep-sea. Few studies have focused on the effects of pressure on chemically dispersed oil through experiments. This study thus simulated how the crude oil homogenously pre-dispersed by Corexit 9500A using baffled flasks would behave after being exposed to deep-water conditions. Key factors included dispersant-to-oil ratio (DOR), mixing energy (energy dissipation rate and Kolmogorov microscale), and pressure (up to 150 bar). The variations of pressure were demonstrated to have insignificant effects on the size distribution of pre-dispersed oil. Both the average and medium droplet sizes were correlated negatively with DOR and mixing energy in an established model with a p-value ≤ 0.0011. The log-normal and log-logistic distributions provided a reasonable fit to simulate the droplet size distribution. The two parameters of log-logistic distribution were dependent on DOR and mixing energy with a p-value < 0.005. The results would be valuable to advance the understanding of the behaviours and trajectories of chemically dispersed oil under deep-water conditions. The research helped provide more scientific evidence to improve the understanding of dispersed oil behaviours under high pressure and support deep-sea oil spill research and potential extension of the existing results from shallow water to deep water conditions.

There is a growing acceptance worldwide for the application of dispersants as a marine oil spill response strategy. The development of more effective dispersants with less toxicity and higher biodegradability would be a step forward in improving public acceptance and regulatory approvals for their use. By applying advances in environmental biotechnology, a bio-dispersant agent with a lipopeptide biosurfactant produced by Bacillus subtilis N3-1P as the key component was formulated in this study. The economic feasibility of producing biosurfactant (a high-added-value bioproduct) from fish waste-based peptone as a nutrient substrate was evaluated. Protein hydrolyzate was prepared from cod liver and head wastes obtained from fish processing facilities. Hydrolysis conditions (i.e., time, temperature, pH and enzyme to substrate level) for preparing protein hydrolyzates were optimized by response surface methodology using a factorial design. The critical micelle dilution (CMD) value for biosurfactant produced from the fish liver and head waste generated peptones was 54.72 and 47.59 CMD, respectively. Biosurfactant product generated by fish liver peptone had a low critical micelle concentration of 0.18 g L–1 and could reduce the surface tension of distilled water to 27.9 mN/m. Structure characterization proved that the generated biosurfactant product belongs to the lipopeptide class. An alternative to the key surfactant dioctyl sulfosuccinate sodium (DOSS) used in Corexit 9500 has been proposed based on a binary mixture of lipopeptides and DOSS that exhibited synergistic effects. Using the standard baffled flask test, a high dispersion efficiency of 76.8% for Alaska North Slope oil was achieved at a biodispersant composition of 80/20 (v/v) of lipopeptides/DOSS. The results show that fish waste can be utilized to produce a more effective, environmentally acceptable and cost-efficient biodispersant that can be applied to oil spills in the marine environment.

Eukaryotic heterotrimeric guanine nucleotide-binding proteins consist of α, β, and γ subunits, which act as molecular switches to regulate a number of fundamental cellular processes. In the oomycete pathogen Phytophthora sojae, the sole G protein α subunit (Gα; encoded by PsGPA1) has been found to be involved in zoospore mobility and virulence, but how it functions remains unclear. In this study, we show that the Gα subunit PsGPA1 directly interacts with PsYPK1, a serine/threonine protein kinase that consists of an N-terminal region with unknown function and a C-terminal region with a conserved catalytic kinase domain. We generated knockout and knockout-complemented strains of PsYPK1 and found that deletion of PsYPK1 resulted in a pronounced reduction in the production of sporangia and oospores, in mycelial growth on nutrient poor medium, and in virulence. PsYPK1 exhibits a cytoplasmic-nuclear localization pattern that is essential for sporangium formation and virulence of P. sojae. Interestingly, PsGPA1 overexpression was found to prevent nuclear localization of PsYPK1 by exclusively binding to the N-terminal region of PsYPK1, therefore accounting for its negative role in sporangium formation. Our data demonstrate that PsGPA1 negatively regulates sporangium formation by repressing the nuclear localization of its downstream kinase PsYPK1.

Antimony sulfide as a cost-effective, low-toxic, and earth-abundant solar cell absorber with the desired bandgap was successfully deposited using a scalable close space sublimation technique. The deposition process can separately control the substrate and source temperature with better engineering of the absorber quality. The device performance can reach 3.8% with the configuration of glass/FTO/CdS/Sb2S3/graphite back contact. The defect formation energy and the corresponding transition levels were investigated in detail using theoretical calculations. Our results suggest that Sb2S3 exhibits intrinsic p-type owing to S-on-Sb antisites (SSb) and the device performance is limited by the S vacancies. The localized conduction characterization at nanoscale shows that the non-cubic Sb2S3 has conductive grains and benign grain boundaries. The study of the defects, microstructure, and nanoscale conduction behavior suggests that Sb2S3 could be a promising photovoltaic candidate for scalable manufacturing.

As one of the most effective biosurfactants reported to date, lipopeptides exhibit attractive surface and biological activities and have the great potential to serve as biocatalysts. Low yield, high cost of production, and purification hinder the large-scale applications of lipopeptides. Utilization of waste materials as low-cost substrates for the growth of biosurfactant producers has emerged as a feasible solution for economical biosurfactant production. In this study, fish peptone was generated through enzyme hydrolyzation of smashed tuna (Katsuwonus pelamis). Biosurfactant (mainly surfactin) production by Bacillus subtilis ATCC 21332 was further evaluated and optimized using the generated fish peptone as a comprehensive substrate. The optimized production conduction was continuously assessed in a 7 L batch-scale and 100 L pilot-scale fermenter, exploring the possibility for a large-scale surfactin production. The results showed that Bacillus subtilis ATCC 21332 could effectively use the fish waste peptones for surfactin production. The highest surfactin productivity achieved in the pilot-scale experiments was 274 mg/L. The experimental results shed light on the further production of surfactins at scales using fish wastes as an economical substrate.

One of the most commonly produced industrial chemicals worldwide, bisphenol A (BPA), is used as a precursor in plastics, resins, paints, and many other materials. It has been proved that BPA can cause long-term adverse effects on ecosystems and human health due to its toxicity as an endocrine disruptor. In this study, we developed an integrated MnO2/UV/persulfate (PS) process for use in BPA photocatalytic degradation from water and examined the reaction mechanisms, degradation pathways, and toxicity reduction. Comparative tests using MnO2, PS, UV, UV/MnO2, MnO2/PS, and UV/PS processes were conducted under the same conditions to investigate the mechanism of BPA catalytic degradation by the proposed MnO2/UV/PS process. The best performance was observed in the MnO2/UV/PS process in which BPA was completely removed in 30 min with a reduction rate of over 90% for total organic carbon after 2 h. This process also showed a stable removal efficiency with a large variation of pH levels (3.6 to 10.0). Kinetic analysis suggested that 1O2 and SO4•− played more critical roles than •OH for BPA degradation. Infrared spectra showed that UV irradiation could stimulate the generation of –OH groups on the MnO2 photocatalyst surface, facilitating the PS catalytic degradation of BPA in this process. The degradation pathways were further proposed in five steps, and thirteen intermediates were identified by gas chromatography-mass spectrometry. The acute toxicity was analyzed during the treatment, showing a slight increase (by 3.3%) in the first 30 min and then a decrease by four-fold over 2 h. These findings help elucidate the mechanism and pathways of BPA degradation and provide an effective PS catalytic strategy.

Nickel ions from aqueous solutions were removed by micellar-enhanced ultrafiltration (MEUF), using the surfactant sodium dodecyl sulfate (SDS) as a chelating agent. Process variables and indicators were modeled and optimized by a response surface methodology (RSM), using the Box–Behnken design (BBD). The generated quadratic models described the relationship between a performance indicator (nickel rejection rate or permeate flux) and process variables (pressure, nickel concentration, SDS concentration, and molecular weight cut-off (MWCO)). The analysis of variance (ANOVA) showed that both models are statistically significant. To remove 1 mM of nickel ions, the optimal condition for maximum nickel removal and flux were: pressure = 30 psi, CSDS = 10.05 mM, and MWCO = 10 kDa, resulting in a rejection rate of 98.16% and a flux of 119.20 L/h∙m2. Experimental verification indicates that the RSM model could adequately describe the performance indicators within the examined ranges of the process variables. An artificial neural network (ANN) modelling followed to predict the MEUF performance and validate the RSM results. The obtained ANN models showed good fitness to the experimental data.

Biodegradation of contaminants is extremely complicated due to unpredictable microbial behaviors. Monitoring of microbial biodegradation drives us to determine (1) the amounts of specific degrading microbes, (2) the abundance, and (3) expression level of relevant functional genes. To this endeavor, the cultivation independent polymerase chain reaction (PCR)-based monitoring technique develops from endpoint PCR, real-time quantitative PCR, and then into novel digital PCR. In this review, we introduce these three categories of PCR techniques and summarize the timely applications of digital PCR and its superiorities than qPCR for biodegradation monitoring. Digital PCR technique, emerging as the most accurately absolute quantification method, can serve as the most promising and robust tool for monitoring of microbial biodegradation.

Human pheochromocytoma cells, which are demonstrated to contain and release met-enkephalin and norepinephrine, may be a promising resource for cell therapy in cancer-induced intractable pain. Intrathecal injection of alginate-poly (l) lysine-alginate (APA) microencapsulated human pheochromocytoma cells leads to antinociceptive effect in a rat model of bone cancer pain, and this effect was blocked by opioid antagonist naloxone and alpha 2-adrenergic antagonist rauwolscine. Neurochemical changes of cerebrospinal fluid are in accordance with the analgesic responses. Taken together, these data support that human pheochromocytoma cell implant-induced antinociception was mediated by met-enkephalin and norepinephrine secreted from the cell implants and acting at spinal receptors. Spinal implantation of microencapsulated human pheochromocytoma cells may provide an alternative approach for the therapy of chronic intractable pain.

Polychlorobiphenyls (PCBs) have been identified as environmental hazards for years. Due to historical issues, a considerable amount of PCBs was released deep underground in Canada. In this research, a nanoscale zero valent iron- (nZVI-) aided dechlorination followed by biosurfactant enhanced soil washing method was developed to remove PCBs from soil. During nZVI-aided dechlorination, the effects of nZVI dosage, initial pH level, and temperature were evaluated, respectively. Five levels of nZVI dosage and two levels of initial pH were experimented to evaluate the PCB dechlorination rate. Additionally, the temperature changes could positively influence the dechlorination process. In soil washing, the presence of nanoiron particles played a key role in PCB removal. The crude biosurfactant was produced using a bacterial stain isolated from the Atlantic Ocean and was applied for soil washing. The study has led to a promising technology for PCB-contaminated soil remediation.

Electrochemical synthesis of NH3 from N2 utilizing single-atom catalysts (SACs) is a promising strategy for industrial nitrogen fixation and chemical raw material production. In this work, single transition metals (TMs) anchored on pyrazine-based graphene (TM@py-GY) are systematically studied to screen potential electrocatalysts for the nitrogen reduction reaction (NRR) using first-principles calculations. Particularly, the descriptor φ related to electronegativity and valence electron number is selected to clarify the trend of NRR activity, realizing a fast-scan/estimation among various candidates. After a four-step screening process, WI@py-GY and MoII@py-GY SACs are screened with good structural stability, high selectivity, and high activity. Meanwhile, the thermodynamic stability of WI@py-GY and MoII@py-GY SACs is demonstrated to ensure their feasibility in real experimental conditions. Furthermore, electronic properties are also examined in detail to analyze activity origin. This work not only provides an effective and reliable method for screening electrochemical NRR catalysts with excellent performance but also provides guidance for the rational design of SACs. [ABSTRACT FROM AUTHOR]