Search

Abstract Background Herein, we aimed to analyse the effects of body mass index (BMI) on the treatment outcomes of in vitro fertilisation (IVF) in a cohort of women undergoing their first IVF cycle. Methods A total of 2311 cycles from 986 women undergoing their first IVF/intracytoplasmic sperm injection cycle with fresh/frozen embryo transfer between January 2018 and December 2021 at the Center of Reproductive Medicine, Shuguang Hospital affiliated to Shanghai University of Traditional Chinese Medicine, were considered in this retrospective cohort study. First, the included patients were classified into four groups based on their BMI: underweight (BMI 38 years; the IVF pregnancy outcomes were compared among the groups. Results Compared with the other three groups, the underweight group had a higher number of fertilized oocytes, cleavage and available embryos and a smaller Gn medication days and required a lower Gn dosage. There was no difference in the number of retrieved oocytes and mature oocytes among the groups. Moreover, compared with the women aged 30–38 years in the overweight group, those in the normal weight group had a significantly higher implantation rate, clinical pregnancy rate and live birth rate (p = 0.013 OR 1.75, p = 0.033 OR 1.735, p = 0.020 OR 1.252 respectively). The clinical pregnancy rate was also significantly higher in those aged 30–38 years in the normal weight group than in the obese group (p = 0.036 OR 4.236). Conclusions Although the BMI can greatly affect the pregnancy outcomes of women aged 30–38 years, it has almost no effects on the outcomes of younger or older women.

In order to ensure that aircraft have medium and long-range flights, enhanced aerodynamic performance, and reduced fuel consumption, this paper presents an original Distributed Hybrid Electric Propulsion Aircraft (DHEPA) design scheme and proposes a novel power allocation management method based on convex optimization. Firstly, by taking the Tecnam P2006T general-purpose aircraft as a reference, key components of DHEPA are selected and modeled. Then, a power allocation management method for DHEPA is proposed on the basis of convex optimization, which takes the minimum fuel consumption as the performance index to realize the reasonable power allocation of the battery and engine, while avoiding sliding into the local optimum of allocation. Finally, momentum theory and numerical simulation methods are used to analyze the aerodynamic enhancement effect of the propeller on the wing in the DHEPA, and a dynamics method is utilized to calculate the dynamics performance of the aircraft at several important stages. The results show that, compared with the reference aircraft, the lift of the DHEPA is increased by 46%. Under typical sectors, the DHEPA has a higher rate of climb and maximum leveling off speed at cruise, and a significantly lower fuel consumption.

ObjectivePelvic inflammatory disease (PID) is a prevalent gynecological disorder. Dietary trace minerals play an important role in combating many chronic diseases including PID. However, it is unknown whether dietary trace minerals and PID are related. This study aimed to examine the relationship between dietary trace minerals (copper, iron, selenium, and zinc) and PID.MethodsData of women participants from the National Health and Nutrition Examination Survey (NHANES) 2015–2018 were enrolled in this cross-sectional investigation. Univariate and multivariate linear regression analyses of the relationship between dietary trace minerals and PID were performed, and restricted cubic spline (RCS) analyses were applied to visualize those relationships.ResultsIn total, 2,694 women between the ages of 20 and 59 years participated in the two NHANES cycles. In the univariate analyses, a significant negative relationship was identified between PID and dietary copper intake [odds ratio (OR) = 0.40, 95% confidence interval (CI): 0.24–0.67, p

Modern society is confronted with emerging threats from chemical, biological, and radiological (CBR) hazardous substances, which are intensively utilized in the chemical, medical, and energy industries. The atmospheric dispersion of released CBR hazardous pollutants can influence a large percentage of the population owing to their rapid process with extensive spatial coverage. It is important to comprehensively understand the behaviors of the released CBR pollutants in the atmosphere to fully evaluate the risks and protect public safety. In this study, we reviewed the advancements in the atmospheric transport of CBR pollutants, including the urban atmospheric boundary layer, unique concepts, and models for CBR pollutants. We underlined the development of innovative methodologies (e.g., inverse estimation and data assimilation methods) for the atmospheric transport of accidentally released CBR pollutants to reduce uncertainties in emissions and accumulated errors during dispersion by combining numerical models with monitoring data. Finally, we introduced progress in quantitative risk assessment, including exposure assessment and dose-response relationships for CBR hazardous pollutants. A framework, source, assimilation, fundamentals, exposure, and risk (SAFER), has been proposed to integrate the key components in the risk assessment of airborne CBR hazardous pollutants. These methods and models can contribute to effective risk preparedness, prevention, evidence-based policymaking, and emergency response to airborne CBR pollutants.

BackgroundGlioma is one of the commonest malignant tumors of the brain. However, glioma present with a poor clinical prognosis. Therefore, specific detection markers and therapeutic targets need to be explored as a way to promote the survival rate of BC patients. Therefore, we need to search for quality immune checkpoints to support the efficacy of immunotherapy for glioma.MethodsWe first recognized differentially expressed telomere-related genes (TRGs) and accordingly developed a risk model by univariate and multivariate Cox analysis. The accuracy of the model is then verified. We evaluated the variations in immune function and looked at the expression levels of immune checkpoint genes. Finally, to assess the anti-tumor medications often used in the clinical treatment of glioma, we computed the half inhibitory concentration of pharmaceuticals.ResultsWe finally identified nine TRGs and built a risk model. Through the validation of the model, we found good agreement between the predicted and observed values. Then, we found 633 differentially expressed genes between various risk groups to identify the various molecular pathways between different groups. The enrichment of CD4+ T cells, CD8+ T cells, fibroblasts, endothelial cells, macrophages M0, M1, and M2, mast cells, myeloid dendritic cells, and neutrophils was favorably correlated with the risk score, but the enrichment of B cells and NK cells was negatively correlated with the risk score. The expression of several immune checkpoint-related genes differed significantly across the risk groups. Finally, in order to create individualized treatment plans for diverse individuals, we searched for numerous chemotherapeutic medications for patients in various groups.ConclusionThe findings of this research provide evidence that TRGs may predict a patient’s prognosis for glioma, assist in identifying efficient targets for glioma immunotherapy, and provide a foundation for an efficient, customized approach to treating glioma patients.

Objective: The Qinzhi Zhudan formula (QZZD) exhibits a prominent therapeutic effect in the treatment of vascular dementia (VaD). This study combined a network pharmacology approach and experimental validation to identify the underlying biological mechanism of QZZD against VaD. Methods: Male Wistar rats received bilateral common carotid artery occlusion (BCCAO) surgery, and after 4 weeks of intragastric administration of QZZD, the therapeutic effect was assessed using the Morris water maze test and cerebral blood flow (CBF) assessment. Hematoxylin and eosin staining, Nissl staining, and electron microscopy were used to measure the histopathological changes in the neurons of rats. The effect of QZZD treatment on hippocampal neurotransmitters was assessed by high-performance liquid chromatography with electrochemical detection and liquid chromatography mass spectrometry. Immunofluorescence was used to observe VaD-induced microglia activation. The inflammatory cytokine levels were assessed by enzyme linked immunosorbent assay. Western blot was used to examine the TNFR1-mediated TNF pathway, which was screened out by network pharmacology analysis. Results: QZZD treatment alleviated pathological changes and neuronal damage in VaD rats and attenuated their cognitive impairment. In addition, QZZD increased CBF and the expression of acetylcholine and 5-hydroxytryptamine in the hippocampal region. Notably, QZZD inhibited microglial activation and the expression of IL-6 and TNF-α. Network pharmacology and western blot indicated that QZZD inhibited the levels of TNFR1, NF-κBp65, p-ERK, TNF-α, and IL-6, which are related to the TNFR1-mediated TNF signaling pathway. Conclusion: QZZD clearly improved learning and memory function, reduced brain pathological damage, elevated CBF and hippocampal neurotransmitter levels, and alleviated neuroinflammation of VaD rats partly by inhibiting the TNFR1-mediated TNF pathway, indicating its potential value in the clinical therapy of VaD.

Abstract On‐site quantification and early‐stage infection risk assessment of airborne severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) with high spatiotemporal resolution is a promising approach for mitigating the spread of coronavirus disease 2019 (COVID‐19) pandemic and informing life‐saving decisions. Here, a condensation (hygroscopic growth)‐assisted bioaerosol collection and plasmonic photothermal sensing (CAPS) system for on‐site quantitative risk analysis of SARS‐CoV‐2 virus‐laden aerosols is presented. The CAPS system provided rapid thermoplasmonic biosensing results after an aerosol‐to‐hydrosol sampling process in COVID‐19‐related environments including a hospital and a nursing home. The detection limit reached 0.25 copies/µL in the complex aerosol background without further purification. More importantly, the CAPS system enabled direct measurement of the SARS‐CoV‐2 virus exposures with high spatiotemporal resolution. Measurement and feedback of the results to healthcare workers and patients via a QR‐code are completed within two hours. Based on a dose‐responseµ model, it is used the plasmonic biosensing signal to calculate probabilities of SARS‐CoV‐2 infection risk and estimate maximum exposure durations to an acceptable risk threshold in different environmental settings.

Abstract Background Diminished ovarian reserve (DOR) refers to a decrease in the number and quality of oocytes in the ovary, which results in a lack of sex hormones and a decline of fertility in women. DOR can potentially progress to premature ovarian failure (POF), which has a negative impact on women's quality of life and is a major cause of female infertility. Oxidative stress is a major contributor to fertility decrease in DOR patients, affecting the follicular microenvironment, oocyte maturation, fertilization, and embryo development. Understanding intracellular signal transduction can be achieved by defining specific oxidized lipid components in follicular fluid (FF) of DOR infertile patients. Methods The oxylipins metabolic signatures in the FF of DOR patients and females with normal ovarian reserve (NOR) enrolled for the in vitro fertilization (IVF) cycle were analyzed using UHPLC-MS-MS technology. Principal component analysis (PCA) and orthogonal projections to latent structure discriminant analysis (OPLS-DA) were used to analyze the derived metabolomic profiles. Pathway enrichment analysis was carried out using the Kyoto Encyclopedia of Genes and Genomes (KEGG) and MetaboAnalyst databases. Furthermore, the Spearman rank correlation coefficient was used to determine the correlation between age, FSH, AMH, AFC, oocytes retrieved, MII oocytes, fertilization, high-quality embryos, and the concentration of differential oxidized lipid metabolites in FF. Results Fifteen oxylipins metabolites were found to be lower in the FF of DOR patients than those in the NOR group, including ±20-HDoHE, ±5-iso PGF2α-VI, 12S-HHTrE, 15-deoxy-Δ12,14-PGJ2, 1a,1b-dihomo PGE2, 1a,1b-dihomo PGF2α, 20-COOH-AA, 20-HETE, 8S,15S-DiHETE, PGA2, PGD2, PGE1, PGF1α, PGF2α, and PGJ2. The pathway enrichment analysis revealed that the 15 differentially oxidized lipid metabolites were closely related to the arachidonic acid metabolic pathway. Correlation analysis revealed that the concentration of 8 different oxidized lipid metabolites in FF was negatively correlated to FSH and positively correlated with AFC. AMH, the number of oocytes retrieved, MII oocytes and fertilization, were all positively correlated with 9 different oxidized lipid metabolites, but only one metabolite was positively correlated with the number of high-quality embryos. Conclusions Metabolomic analysis of FF revealed that oxylipins metabolism disorders were closely related to ovarian reserve function. Among these oxylipins metabolites, arachidonic acid metabolism undergoes significant changes that may be related to oocyte development, resulting in decreased fertility in DOR patients. Trial registration ChiCTR, ChiCTR2000038182 , Registered 12 September 2020-Retrospectively registered

Caused by the SARS-CoV-2 virus, Coronavirus disease 2019 (COVID-19) has been affecting the world since the end of 2019. While virus-laden particles have been commonly detected and studied in the aerosol samples from indoor healthcare settings, studies are scarce on air surveillance of the virus in outdoor non-healthcare environments, including the correlations between SARS-CoV-2 and other respiratory viruses, between viruses and environmental factors, and between viruses and human behavior changes due to the public health measures against COVID-19. Therefore, in this study, we collected airborne particulate matter (PM) samples from November 2019 to April 2020 in Bern, Lugano, and Zurich. Among 14 detected viruses, influenza A, HCoV-NL63, HCoV-HKU1, and HCoV-229E were abundant in air. SARS-CoV-2 and enterovirus were moderately common, while the remaining viruses occurred only in low concentrations. SARS-CoV-2 was detected in PM10 (PM below 10 µm) samples of Bern and Zurich, and PM2.5 (PM below 2.5 µm) samples of Bern which exhibited a concentration positively correlated with the local COVID-19 case number. The concentration was also correlated with the concentration of enterovirus which raised the concern of coinfection. The estimated COVID-19 infection risks of an hour exposure at these two sites were generally low but still cannot be neglected. Our study demonstrated the potential functionality of outdoor air surveillance of airborne respiratory viruses, especially at transportation hubs and traffic arteries.

Size-resolved Black Carbon (BC) particle number emission inventory is not available for global civil aviation. Here the authors converted BC mass emission inventory into number emission inventory and found that aviation BC number emission contributes to 1.3% of total ground anthropogenic emissions and 3.6% on global average.

Wuhan was locked down from 23 January to 8 April 2020 to prevent the spread of the novel coronavirus disease 2019 (COVID-19). Both public and private transportation in Wuhan and its neighboring cities in Hubei Province were suspended or restricted, and the manufacturing industry was partially shut down. This study collected and investigated ground monitoring data to prove that the lockdowns of the cities had significant influences on the air quality in Wuhan. The WRF-CMAQ (Weather Research and Forecasting-Community Multiscale Air Quality) model was used to evaluate the emission reduction from transportation and industry sectors and associated air quality impact. The results indicate that the reduction in traffic emission was nearly 100% immediately after the lockdown between 23 January and 8 February and that the industrial emission tended to decrease by about 50% during the same period. The industrial emission further deceased after 9 February. Emission reduction from transportation and that from industry was not simultaneous. The results imply that the shutdown of industry contributed significantly more to the pollutant reduction than the restricted transportation.

Abstract Background Early onset of lung injury is considerable common after cardiac surgery and is associated with increasing in morbidity and mortality, but current clinical predictors for the occurrence of this complication always have limited positive warning value. This study aimed to evaluate whether elevated plasma levels of human neutrophil peptides (HNPs) 1–3 herald impaired lung function in infants and young children after cardiac surgery necessitating cardiopulmonary bypass (CPB). Methods Consecutive children younger than 3 years old who underwent cardiac surgery were prospectively enrolled. Plasma concentrations of HNPs 1–3 and inflammatory cytokines were measured before, and immediately after CPB, as well as at 1 h, 12 h, and 24 h after CPB. Results Thirty patients were enrolled, 18 (60%) of whom were infants. Plasma levels of HNPs 1–3 and the pro-inflammatory cytokine interleukin-6 (IL-6) significantly increased immediately after CPB (P

Objective • This study aims to investigate the clinical efficacy of stereotactic puncture for intracerebral hematoma removal, combined with postoperative individualized health education and rehabilitation training concerning hypertensive cerebral hemorrhage. We also assessed its impact on rebleeding prevention and neurological function recovery. Methods • A retrospective study was conducted, including 90 patients diagnosed with hypertensive cerebral hemorrhage in our hospital between March 2020 and June 2022. The inclusion criteria were patients with an episcleral hematoma volume exceeding 30 ml. The control group underwent minimally invasive removal using neuroendoscopy (45 patients), while the observation group received stereotactic puncture for intracerebral hematoma removal (45 patients). After surgery, both groups received individualized health education and rehabilitation training. The assessment included: (1) determination of clinical efficacy, (2) monitoring for rebleeding within 72 hours after surgery, (3) evaluation of daily living ability using the Barthel index, (4) assessment of motor function using the Fugl-Meyer Assessment (FMA) scale, and (5) monitoring for adverse reactions. Results • The observation group, which underwent stereotactic puncture for intracerebral hematoma removal combined with postoperative individualized health education and rehabilitation training, exhibited significantly better clinical efficacy, Barthel index scores, and FMA scores compared to the control group that underwent neuroendoscopic minimally invasive removal (P < .05). Notably, no complications were observed in either group, and there was no significant difference in the postoperative bleeding rate within 72 hours. Conclusions • The combined treatment approach of stereotactic puncture for intracerebral hematoma removal and postoperative individualized health education and rehabilitation training demonstrates promising therapeutic effects in managing hypertensive cerebral hemorrhage. This approach also contributes significantly to the rehabilitation of patients with hypertensive cerebral hemorrhage, warranting widespread clinical adoption. [ABSTRACT FROM AUTHOR]

Background: Glioma is one of the commonest malignant tumors of the brain. However, glioma present with a poor clinical prognosis. Therefore, specific detection markers and therapeutic targets need to be explored as a way to promote the survival rate of BC patients. Therefore, we need to search for quality immune checkpoints to support the efficacy of immunotherapy for glioma. Methods: We first recognized differentially expressed telomere-related genes (TRGs) and accordingly developed a risk model by univariate and multivariate Cox analysis. The accuracy of the model is then verified. We evaluated the variations in immune function and looked at the expression levels of immune checkpoint genes. Finally, to assess the anti-tumor medications often used in the clinical treatment of glioma, we computed the half inhibitory concentration of pharmaceuticals. Results: We finally identified nine TRGs and built a risk model. Through the validation of the model, we found good agreement between the predicted and observed values. Then, we found 633 differentially expressed genes between various risk groups to identify the various molecular pathways between different groups. The enrichment of CD4+ T cells, CD8+ T cells, fibroblasts, endothelial cells, macrophages M0, M1, and M2, mast cells, myeloid dendritic cells, and neutrophils was favorably correlated with the risk score, but the enrichment of B cells and NK cells was negatively correlated with the risk score. The expression of several immune checkpoint-related genes differed significantly across the risk groups. Finally, in order to create individualized treatment plans for diverse individuals, we searched for numerous chemotherapeutic medications for patients in various groups. Conclusion: The findings of this research provide evidence that TRGs may predict a patient's prognosis for glioma, assist in identifying efficient targets for glioma immunotherapy, and provide a foundation for an efficient, customized approach to treating glioma patients. [ABSTRACT FROM AUTHOR]

In order to explore the mining failure law of deep coal seam floor and clarify the mechanical behavior and energy change in the floor strata during mining, the mechanical properties and energy evolution law of sandstone under cyclic loading with different confining pressures (20, 30, 40 MPa) were studied using the Rock Top multi-field coupling tester. The results are as follows: (1) the hysteresis phenomenon of a rock stress-strain curve under cyclic loading is evident. Moreover, the hysteresis loop migrates to the direction of strain increase, and the fatigue damage caused by cyclic loading has a certain weakening effect on the peak strength of rock; (2) both the number of cycles and the axial strain show a nonlinear change characteristic that satisfies the quadratic function relationship. Among them, the stress level of the rock is the main factor affecting the fitting effect; (3) under the same confining pressure, with an increase in cycle level, the macroscopic deformation of the rock increases, the accumulation of fatigue damage in the sample increases, and the irreversible deformation of the rock increases, which leads to an increase in energy input and dissipation; (4) in terms of elastic energy and dissipation energy, elastic energy plays a dominant role. In the initial cycle, the rock is destroyed, and the rock energy loss is great. After the second cycle, the input energy is mainly stored in the rock in the form of elastic energy, and only a small part of the input energy is released in the form of dissipation energy; (5) the confining pressure can improve the efficiency of rock absorption and energy storage, enhance the energy storage limit of rock, and limit the dissipation and release of partial energy of rock. The greater the confining pressure, the more evident the limiting effect, and the more significant the dominant position of elastic energy; and (6) the change in the energy dissipation ratio can be divided into three stages: rapid decline stage, stable development stage and rapid rise stage. The greater the increase in dissipation energy, the greater the degree of rock damage. The evolution process of the energy dissipation ratio can reflect the internal damage accumulation process of rock well, which can be used as the criterion of rock instability. [ABSTRACT FROM AUTHOR]

The soluble fraction of atmospheric transition metals is particularly associated with health effects such as reactive oxygen species compared to total metals. However, direct measurements of the soluble fraction are restricted to sampling and detection units in sequence burdened with a compromise between time resolution and system bulkiness. Here, we propose the concept of aerosol-into-liquid capture and detection, which allowed one-step particle capture and detection via the Janus-membrane electrode at the gas–liquid interface, enabling active enrichment and enhanced mass transport of metal ions. The integrated aerodynamic/electrochemical system was capable of capturing airborne particles with a cutoff size down to 50 nm and detecting Pb(II) with a limit of detection of 95.7 ng. The proposed concept can pave the way for cost-effective and miniaturized systems, for the capture and detection of airborne soluble metals in air quality monitoring, especially for abrupt air pollution events with high airborne metal concentrations (e.g., wildfires and fireworks). [ABSTRACT FROM AUTHOR]

Numerical models are needed for evaluating aerosol processes in the atmosphere in state-of-the-art chemical transport models, urban-scale dispersion models and climatic models. This article describes a publicly available aerosol dynamics model MAFOR (Multicomponent Aerosol FORmation model; version 2.0); we address the main structure of the model, including the types of operation and the treatments of the aerosol processes. The main advantage of MAFOR v2.0 is the consistent treatment of both the mass- and number-based concentrations of particulate matter. An evaluation of the model is also presented, against a high-resolution observational dataset in a street canyon located in the centre of Helsinki (Finland) during an afternoon traffic rush hour on 13 December 2010. The experimental data included measurements at different locations in the street canyon of ultrafine particles, black carbon, and fine particulate mass PM1. This evaluation has also included an intercomparison with the corresponding predictions of two other prominent aerosol dynamics models, AEROFOR and SALSA. All three models fairly well simulated the decrease of the measured total particle number concentrations with increasing distance from the vehicular emission source. The MAFOR model reproduced the evolution of the observed particle number size distributions more accurately than the other two models. The MAFOR model also predicted the variation of the concentration of PM1 better than the SALSA model. We also analysed the relative importance of various aerosol processes based on the predictions of the three models. As expected, atmospheric dilution dominated over other processes; dry deposition was the second most significant process. Numerical sensitivity tests with the MAFOR model revealed that the uncertainties associated with the properties of the condensing organic vapours affected only the size range of particles smaller than 10 nm in diameter. These uncertainties do not therefore affect significantly the predictions of the whole of the number size distribution and the total number concentration. The MAFOR model version 2 is well documented and versatile to use, providing a range of alternative parametrizations for various aerosol processes. The model includes an efficient numerical integration of particle number and mass concentrations, an operator-splitting of processes, and the use of a fixed sectional method. The model could be used as a module in various atmospheric and climatic models. [ABSTRACT FROM AUTHOR]

Heavy metal stress can lead to slow growth and dwarfing of hyperaccumulators, limiting their effectiveness in remediating soil heavy metal pollution. Nitrogen (N) and phosphorus (P) fertilization can enhance plant growth, biomass, and stress resistance. We hypothesize that N and P fertilization could improve the soil heavy metal remediation efficiency of Bidens pilosa (B. pilosa). We conducted a greenhouse experiment with four treatments: control (CK), nitrogen fertilization (NF), phosphorus fertilization (PF), and nitrogen and phosphorus fertilization (NPF). Then, we analyzed the growth status, heavy metal content, and accumulation of B. pilosa under various treatments to explore the impact of N and P fertilization on its potential to remediate soil heavy metal pollution. The shoot height, root length, and shoot biomass of B. pilosa significantly improved under NF and NPF treatments (P<0.05). The root tolerance index of B. pilosa in the NF and NPF treatments also increased, exceeding 1. The NF and NPF treatments significantly increased the accumulation of heavy metals Cd, Cu, and Pb in the shoots of B. pilosa ( P<0.05). The transfer coefficient of these heavy metals also increased in the NF and NPF treatments. Accordingly, N and NP fertilization can promote the growth of B. pilosa, increase the accumulation of heavy metals Cd, Cu, and Pb in B. pilosa, and improve the remediation efficiency of these heavy metals. In the context of rising global soil heavy metal pollution, our findings indicate that B. pilosa can aid in the remediation of soil heavy metal pollution. [ABSTRACT FROM AUTHOR]

Antiferromagnetic semiconductors gain increasing interest due to their possible application in spintronics. Using spin polarized scanning tunneling microscopy operating in a vector field, we mapped the noncollinear antiferromagnetic spin structure of a semiconducting hexagonal FeSe surface on the atomic scale. The surface possesses an in-plane compensated Néel structure which is further confirmed by first-principles calculations. [ABSTRACT FROM AUTHOR]

We here first proposed a yolk-shell Co3O4@metal-organic frameworks (MOFs) nanoreactor via a facile method to accommodate sulfate radical-based advanced oxidation processes (SR-AOPs) into its interior cavity. The mesoporous and adsorptive MOFs shells allow the rapid diffusion of reactant molecules to the encapsulated Co3O4 active sites, and the confined high instantaneous concentration of reactants in the local void space is anticipated to facilitate the SR-AOPs. As a proof of concept, the nanoreactor was fully characterized and applied for catalytic degradation of 4-chlorophenol (4-CP) in the presence of peroxymonosulfate (PMS). The enhancement of SR-AOPs in the nanoreactor is demonstrated by the result that degradation efficiency of 4-CP reached almost 100% within 60 min by using the yolk-shell Co3O4@MOFs catalysts as compared to only 59.6% under the same conditions for bare Co3O4 NPs. Furthermore, the applicability of this nanoreactor used in SR-AOPs was systematically investigated in terms of effect of reaction parameters and identification of intermediates and primary radical as well as mineralization of the reaction and stability of the composite. The findings of this study elucidated a new opportunity for improved environmental remediation. [ABSTRACT FROM AUTHOR]

The nociceptin/orphanin FQ (NOP) receptor is involved in a wide range of biological functions, including pain, anxiety, depression and drug abuse. Especially, its agonists have great potential to be developed into anxiolytics. In this work, both the ligand- and receptor-based three-dimensional quantitative structure-activity relationship (3D-QSAR) studies were carried out using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) techniques on 103 N-substituted spiropiperidine analogues as NOP agonists. The resultant optimal ligand-based CoMSIA model exhibited Q² of 0.501, R² ncv of 0.912 and its predictive ability was validated by using an independent test set of 26 compounds which gave R² pred value of 0.818. In addition, docking analysis and molecular dynamics simulation (MD) were also applied to elucidate the probable binding modes of these agonists. Interpretation of the 3D contour maps, in the context of the topology of the active site of NOP, provided insight into the NOP-agonist interactions. The information obtained from this work can be used to accurately predict the binding affinity of related agonists and also facilitate the future rational design of novel agonists with improved activity. [ABSTRACT FROM AUTHOR]

Fructose 1,6-bisphosphatase (FBPase) has been identified as a drug discovery target for lowering glucose in type 2 diabetes mellitus. In this study, a large series of 105 FBPase inhibitors were studied using a combinational method by 3D-QSAR, molecular docking and molecular dynamics simulations for a further improvement in potency. The optimal 3D models exhibit high statistical significance of the results, especially for the CoMFA results with Due to image rights restrictions, multiple line equation(s) cannot be graphically displayed., q² values of 0.986, 0.514 for internal validation, and Due to image rights restrictions, multiple line equation(s) cannot be graphically displayed. statistics of 0.902, 0.828 statistics for external validation. Graphic representation of the results, as contoured 3D coefficient plots, also provides a clue to the reasonable modification of molecules. (1) Substituents with a proper length and size at the C5 position of the thiazole core are required to enhance the potency; (2) A small and electron-withdrawing group at the C2 position linked to the thiazole core is likely to help increase the FBPase inhibition; (3) Substituent groups as hydrogen bond acceptors at the C2 position of the furan ring are favored. In addition, the agreement between 3D-QSAR, molecular docking and molecular dynamics simulation proves the rationality of the developed models. These results, we hope, may be helpful in designing novel and potential FBPase inhibitors. [ABSTRACT FROM AUTHOR]

In this work, we propose a simple, sensitive and reliable assay for melamine in raw milk with dopamine-stabilized silver nanoparticles (AgNPs) as a colorimetric reader. Dopamine can reduce Ag+and functionalize the produced AgNPs to form monodispersed AgNPs. The coexisting melamine in reaction solution could bind dopamine through Michael addition and Schiff base reactions, which leads to the aggregation of AgNPs and induces a colorimetric response. The one-step assay is simple, rapid and highly sensitive. The color-change is quantitatively correlated with the concentration of melamine in the range of 10 ppb to 1.26 ppm, which is below the safety limit in China (1.0 ppm) and EU (2.0 ppm). The coexisting substances including phenylalanine, dl-leucine, l-glutamate, sulfanilic acid, Mg2+, galactose, lysine, urea and glucose do not affect the determination of melamine. The colorimetric sensor can be used for rapid monitoring of raw milk quality. [ABSTRACT FROM AUTHOR]

In the present study, chitosan-coated octadecyl-functionalized magnetite nanoparticles (Fe3O4-C18-chitosan MNPs) are synthesized and used as an adsorbent to extract trace analytes from environmental water samples. The magnetic nanoparticles, 20 mm in diameter, are of uniform size and have a high magnetic saturation value of 52 emu g-1, which endue the adsorbent with a large surface area and convenience of isolation. The anionic pollutants, perfluoi-mated compounds (PFCs), are trapped by the octadecyl group of the interior hydrophobic layer. The positively charged chitosan polymer coating also contributes to PFC enrichment. At the same time, the coating improves the dispersibility of MNPs in aqueous solution and enhances the anti-interference ability of the adsorbent to natural organic macromolecules in complex samples by size exclusion or electrostatic repulsion. A liquid chromatography-tandem mass spectrometiy system is employed in the determination of PFCs after preconcentration with the MNP adsorbent. The predominant factors afecting preconcentration are investigated and optimized. Under the selected conditions, concentration factors of 1000 are achieved by extracting the analytes from 500 mL of several environmental water samples and concentrating the eluants to 0.5 mL with a nitrogen flow. The method detection limits obtained for perfluorooctanoic acid (PFOA), perfluorooetanesulfonic acid (PFOS), perfluorononanoic acid (PFNA), perluorodecanoic acid (PFTA), perfluoroundecanoic acid (PFUnDA), perfluorododecanoic acid (PFD0DA), and perfluorotetradecanoic acid (PFTA) hi Gaobeidian wastewater are 0.24, 0.093,0.24,0.14,0.075,0.24, and 0.17 ng L', respectively. Recoveries of PFOA, PFOS, PFNA, PFI)A, PFUnI)A, PFD0DA, and PFTA are in the ranges of 88-108%, 63-112%, 79-109%, 56-107%, 66-106%, 56-106%, and 66-103% for four spiked water samples with low relative standard deviation (2-8%), which indicates good method precision. The advantages of this novel adsorbent are high extraction efficiency, anti-interference, and convenient operation. [ABSTRACT FROM AUTHOR]

This report demonstrated the first study on the use of a new 2D nanomaterial (Mxene) for enhancing membrane performance of intermediate temperature (>100 °C) polymer electrolyte membrane fuel cells (ITPEMFCs). In this study, a typical Ti3C2Tx-MXene was synthesized and incorporated into polybenzimidazole (PBI)-based membranes by using a solution blending method. The composite membrane with 3 wt% Ti3C2Tx-MXene showed the proton conductivity more than 2 times higher than that of pristine PBI membrane at the temperature range of 100 °C–170 °C, and led to substantial increase in maximum power density of fuel cells by ∼30% tested at 150 °C. The addition of Ti3C2Tx-MXene also improved the mechanical properties and thermal stability of PBI membranes. At 3 wt% Ti3C2Tx-MXene, the elongation at break of phosphoric acid doped PBI remained unaffected at 150 °C, and the tensile strength and Young’s modulus was increased by ∼150% and ∼160%, respectively. This study pointed out promising application of MXene in ITPEMFCs. [ABSTRACT FROM AUTHOR]

In order to accurately measure the environmental level dose rate, based on the G(E) function method and conversion of complete spectra without deconvolution method, the energy spectrum and dose rate of X/γ ray was measured for calculating spectrum-dose conversion coefficient. And finally the conversion of energy spectrum to dose rate is realized. The residual difference between the calculated dose rate by the energy spectrum-dose method and the measured dose rate value is approximately 0, which proves that the method is self-consistent. Experiments have been conducted in 137Cs and 60Co radiation fields, and the maximum relative error of dose rate is ±10%, which proves that the G(E) function method and Conversion of complete spectra without deconvolution method are feasible for energy spectrum-dose conversion.