Mollerupmoesgaard9488

Human catechol-O-methyltransferase (hCOMT) is considered a therapeutic target due to its crucial roles in the metabolic inactivation of endogenous neurotransmitters and xenobiotic drugs. There are nevertheless few safe and effective COMT inhibitors and there lacks a diversity in structure. To discover novel safe and effective hCOMT inhibitors from herbal products, in this study, 53 herbal products were collected and their inhibitory effects against hCOMT were investigated. Among them, Scutellariae radix (SR) displayed the most potent inhibitory effect on hCOMT with an IC50 value of 0.75 μg mL-1. To further determine specific chemicals as COMT inhibitors, an affinity ultrafiltration coupled with liquid chromatography-mass spectrometry method was developed and successfully applied to identify COMT inhibitors from SR extract. The results demonstrated that scutellarein 2, baicalein 9 and oroxylin A 12 were potent COMT inhibitors, showing a high binding index (>3) and very low IC50 values (32.9 ± 3.43 nM, 37.3 ± 4.32 nM and 18.3 ± 2.96 nM). The results of inhibition kinetics assays and docking simulations showed that compounds 2, 9 and 12 were potent competitive inhibitors against COMT-mediated 3-BTD methylation, and they could stably bind to the active site of COMT. These findings suggested that affinity ultrafiltration allows a rapid identification of natural COMT inhibitors from a complex plant extract matrix. Furthermore, scutellarein 2, baicalein 9 and oroxylin A 12 are potent inhibitors of hCOMT in SR, which could be used as promising lead compounds to develop more efficacious non-nitrocatechol COMT inhibitors for biomedical applications.Copper is an essential element in living systems and plays an important role in human physiology; therefore, methods to detect the concentration of copper ions in living organisms are important. Herein, we report a highly water-soluble naphthalimide-based fluorescent probe that can be used for the detection of Cu2+. The probe, BNQ, has high selectivity and sensitivity. The fluorescence intensity of the probe at 520 nm was visible to the naked eye under a UV lamp; upon the gradual addition of Cu2+, there was a colour change from green to nearly colourless. Furthermore, the detection limit of BNQ for Cu2+ was 45.5 nM. The detection mechanism was investigated using a Job's plot and density functional theory (DFT) calculations. In addition, owing to great biocompatibility, we were able to successfully use BNQ to detect Cu2+ in living HeLa cells with low toxicity.As a worldwide major public health problem, cancer is one of the leading causes of death. Effective treatment of cancer is an important challenge. Therefore, photodynamic therapy (PDT) and photothermal therapy (PTT) have been widely applied as anti-tumour strategies due to their high-performance and limited side effects. Inspired by natural supramolecular architectures, such as cytochromes and photosystems, the hierarchical supramolecular assembly of small organic molecules has been developed for their use as photosensitizers or photothermal agents for PDT and PTT, respectively. In this manuscript, we will summarize the recent progress of PDT and PTT based on the assembly of small organic molecules.In this study, for the first time, we conducted full life-cycle studies on pollutants in a cement plant co-processing hazardous waste (HW) via the combined use of thermodynamic equilibrium calculations and the American Meteorological Society/Environmental Protection Regulatory Model. Results showed that the potential toxic elements (PTEs) can be classified into three categories (1) non-volatized elements, Co; (2) semi-volatized elements, Cr and Ni; and (3) volatized elements, Cd, Pb and As. Besides, the spatial distributions of pollutants were strongly influenced by the prevalent wind direction and the size of the particulate matter they were absorbed on. The highest concentrations of most pollutants tended to be centralized at a distance in the range of 400 to 800 m away from the cement plant. Finally, validated results indicated that there is good agreement between the simulated and observed concentrations in this study. These findings can facilitate and assist local government authorities and policy makers with the management of urban air quality.The increasingly severe emissions of greenhouse and poisonous gases from environmentally unsafe stockpiled coal mine waste dumps have urged people from the academia as well as the industry to focus on environmental impact assessment. In this study, one-year air pollutant monitoring was conducted at the Qipanjing coalfield in Inner Mongolia of China for determining the distribution pattern statue of pollutant exposure and its main driving factors. We used FTIR spectroscopy to measure the inorganic compounds in particulate matter with a diameter of less than 2.5 μm. The spatial and temporal distribution characteristics of leading pollutants, including PM2.5, PM10, SO2, NO2, O3 and CO were analyzed. Firstly, the research showed that the temporal and spatial distribution of pollutants in the coal mine waste area is non-homogeneous. Secondly, some meteorological parameters, such as wind speed, relative humidity, temperature, and rainfall, were found to have significant effects on air pollutant distribution. Stable atmospheric conditions were unfavorable for the diffusion of pollutants and prolong the pollution process. Finally, in the vicinity of coalfields, SO2 and NO2 are present in high concentrations in air. Primary reasons for such high values are coal mining-related activities and active mine fires. This study will help to offer valuable and detailed information for understanding and interpreting the pollution source.Microbial electrosynthesis (MES) is an innovative technology for electricity driven microbial reduction of carbon dioxide (CO2) to useful multi-carbon compounds. This study assesses the cradle-to-gate environmental burdens associated with acetic acid (AA) production via MES using graphene functionalized carbon felt cathode. IACS010759 The analysis shows that, though the environmental impact for the production of the functionalized cathode is substantially higher when compared to carbon felt with no modification, the improved productivity of the process helps in reducing the overall impact. It is also shown that, while energy used for extraction of AA is the key environmental hotspot, ion-exchange membrane and reactor medium (catholyte & anolyte) are other important contributors. A sensitivity analysis, describing four different scenarios, considering either continuous or fed-batch operation, is also described. Results show that even if MES productivity can be theoretically increased to match the highest space time yield reported for acetogenic bacteria in a continuous gas fermenter (148 g L-1 d-1), the environmental impact of AA produced using MES systems would still be significantly higher than that produced using a fossil-based process. Use of fed-batch operation and renewable (solar) energy sources do help in reducing the impact, however, the low production rates and overall high energy requirement makes large-scale implementation of such systems impractical. The analysis suggests a minimum threshold production rate of 4100 g m-2 d-1, that needs to be achieved, before MES could be seen as a sustainable alternative to fossil-based AA production.Surface modification is required to improve the activity and compositing ability of carbonaceous materials for their application in numerous areas such as energy storage, aerospace applications, and construction reinforcement. However, current strategies are facing problems such as the involvement of expensive and corrosive chemicals, poor controllability, and breakage of the carbon skeleton, thus sacrificing the mechanical and electrical properties. In this study, a green and controllable self-boosting microwave technology is proposed for the high-efficient surface modification of carbon. Air was used as the only oxidant. A carbon fiber cloth (CFC) is exposed to microwave irradiation in air for 90 s, yielding CFC with a surface oxygen content of 25.73%, 54.41%, and 52.56% at 1 atm, 8000 Pa, and 80 Pa, respectively, as determined via X-ray photoelectron spectroscopy. Notably, the content of each oxygen-containing functional group (e.g., -C-OH and -C[double bond, length as m-dash]O) is controllable by tuning the air pressure. Besides, CFC has enhanced mechanical and electrical properties. In comparison, CFC treated with a strong acid for 2 h only has a surface oxygen content of 21.4%, exhibiting greatly impaired electrical and mechanical properties. Numerical simulations at different pressures suggest that air plasma is triggered and boosted by the existence of CFC at 8000 Pa and 80 Pa, generating different electron number densities and electron temperature distributions, thus resulting in high-efficient and controllable modification.Chemical disinfectants are widely used to control foodborne pathogen contamination in fresh-cut vegetables (FVs) processing facilities. In this study, we investigated the disinfectant-resistant bacteria in a FVs processing facility and evaluate the effects of these bacteria on Salmonella enteritidis biofilm formation and disinfectant resistance. The disinfectant-resistance profiles were determined using 0.02% sodium hypochlorite (NaClO), 0.2% benzalkonium bromide (BAB) and 2% hydrogen peroxide (H2O2) solutions. The results showed the high occurrence of disinfectant resistant bacteria in the FVs processing environment, especially in the clean area. All isolates showed planktonic susceptibility to H2O2 and BAB, while the Gram-positive isolates were specifically resistant to NaClO. Isolates with biofilm-forming ability showed resistance to tested disinfectants. Disinfectant resistance of S. enteritidis was not significantly enhanced in most of the mixed-species biofilms, except for Bacillus paramycoides B5 which not only increased the biomass but also enhanced the survival ability of the Salmonella under NaClO treatment. Increased biomass and compact biofilm structures were observed in mixed-species biofilms by scanning electron microscopy (SEM). This study provides new insights into the disinfectant-resistant bacteria from food processing facilities and highlights their relevance for foodborne pathogen contamination.Two carbazole sulfonamide-based macrocycles 1 and 2 were facilely synthesized and carefully evaluated for their anion recognition properties. The obtained results revealed that macrocycle 1 with a 1,3-xylyl linker was able to bind fluoride ion more strongly and selectively in acetonitrile medium than its strong competitors (like acetate and dihydrogen phosphate anions), with a large binding constant (K a) of 50 878 M-1. More importantly, an exclusive fluoride recognition was achieved for macrocycle 1 in the more polar DMSO-d 6 solution, albeit with a moderate affinity of K a = 147 M-1. Compared with macrocycle 1, macrocycle 2 bearing a 2,6-lutidinyl linkage exhibited a remarkable change not only in the anion affinity but also in the anion selectivity, although with only a slight difference in their molecular structures.We analysed the H/D isotope effect of CH4/CD4 adsorption on a Rh(111) surface using our combined plane wave and localized basis sets method, that we proposed for the consideration of delocalized electrons on a surface and the quantum effect of protons (deuterons) in metal-molecule interactions. We observed that the adsorption distance and energy of CD4 were larger and lower than those of CH4, respectively. This is in reasonable agreement with the corresponding experimental results of cyclohexane adsorption. We clearly found that the trend of the H/D isotope effect in the geometrical and energetic difference was similar to that of the hydrogen-bonded systems.