Microbial-induced carbonate precipitation effectively prevents Pb2+ migration through the soil profile: Lab experiment and model simulation.

Due to the inappropriate disposal of waste materials containing lead (Pb) and irrigation with sewage containing Pb, the migration of Pb2+ within the soil profile has been extensively investigated. The conventional Pb2+ block method is challenging to implement due to its complex operational procedures and high construction costs. To address this issue, this study introduces the microbial-induced carbonate precipitation (MICP) technique as a novel approach to impede the migration of Pb2+ in the soil profile. Soil acclimatization with urea resulted in an increased proportion of urease-producing microorganisms, including Bacillus, Paenibacillus, and Planococcaceae, along with heightened expression of urea-hydrolyzing genes (UreA, UreB, UreC, and UreG). This indicates that urea-acclimatized soil (Soil-MICP) possesses the potential to induce carbonate precipitation. Batch Pb2+ fixation experiments confirmed that the fixation efficiency of Soil-MICP on Pb2+ exceeded that of soil without MICP, attributed to the MICP process within the Soil-MICP group. Dynamic migration experiments revealed that the MICP reaction transformed exchangeable lead into carbonate-bound Pb, effectively impeding Pb2+ migration in the soil profile. Additionally, the migration rate of Pb2+ in Soil-MICP was influenced by varying urea amounts, pH levels, and pore flow rates, leading to a slowdown in migration. The Two-site sorption model aptly described the Pb2+ migration process in the Soil-MICP column. This study aims to elucidate the MICP biomineralization process, uncover the in-situ blocking mechanism of MICP on lead in soil, investigate the impact of Pb on key genes involved in urease metabolism, enhance the comprehension of the chemical morphology of lead mineralization products, and provide a theoretical foundation for MICP technology in preventing the migration of Pb2+ in soil profiles.

Temperature and organic carbon quality control the anaerobic carbon mineralization in peat profiles via modulating microbes: A case study of Changbai Mountain.

Peatlands account for a significant fraction of the global carbon stock. However, the complex interplay of abiotic and biotic factors governing anaerobic carbon mineralization in response to warming remains unclear. In this study, peat sediments were collected from a typical northern peatland-Changbai Mountain to investigate the behavior and mechanism of anaerobic carbon mineralization in response to depth (0-200 cm) and temperature (5 °C, 15 °C and 20 °C), by integrating geochemical and microbial analysis. Several indices including humification indexes (HI), aromaticity, and water extractable organic carbon (WEOC) components were applied to evaluate carbon quality, while 16S rRNA sequencing was used to measure microbial composition. Regardless of temperature, degradations of carbon quality and associated reduction in microbial abundance as well as diversity resulted in a decrease in anaerobic carbon mineralization (both CO2 and CH4) towards greater depth. Warming either from 5 °C to 15 °C or 20 °C significantly increased anaerobic carbon mineralization in all depth profiles by improving carbon availability. Enhanced carbon availabilities were mediated by the change in microbial composition (p < 0.01) and an increase in metabolic activities, which was particularly evident in the enhanced ß-glucosidase activity and microbial collaborations. A remarkable increase of over 10-fold in the relative abundance of the Geothrix genus was observed under warming. Overall, warming resulted in an enhanced contribution of CH4 emission and a higher ratio of hydrogenotrophic methanogenesis, as evidenced by carbon isotope fractionation factors. In addition, deep peat soils (>100 cm) with recalcitrant carbon demonstrated greater temperature sensitivity (Q10: ∼2.0) than shallow peat soils (Q10:∼1.2) when temperature increased from 15 °C to 20 °C. The findings of this study have significantly deepened our understanding for mechanisms of carbon quality and microbe-driven anaerobic carbon mineralization in peatlands under global warming.

Role of microbial microbes in arsenic bioaccumulation and biotransformation in mice.

Although gut microbes can affect the accumulation and metabolism of arsenic (As), the microbes contributing to these processes remain largely unknown. Therefore, this study aimed to investigate the bioaccumulation and biotransformation of arsenate [As(V)] and arsenobetaine (AsB) in mice with a disordered gut microbiome. We used cefoperazone (Cef) to construct a mouse model of gut microbiome disruption along with 16S rRNA sequencing to elucidate the effect of gut microbiome destruction on the biotransformation and bioaccumulation of As(V) and AsB. This revealed the role of specific bacteria in As metabolism. Gut microbiome destruction increased the bioaccumulation of As(V) and AsB in various organs and reduced the excretion of As(V) and AsB in the feces. Further, gut microbiome destruction was found to be important for the biotransformation of As(V). Interference with Cef can significantly decrease Blautia and Lactobacillus while increasing Enterococcus, leading to increase As accumulation in mice and enhanced methylation. We also identified Lachnoclostridium, Erysipelatoclostridium, Blautia, Lactobacillus, and Enterococcus as biomarkers involved in As bioaccumulation and biotransformation. In conclusion, specific microbes can increase As accumulation in the host, exacerbating its potential health risks.

Application of microbial-induced carbonate precipitation (MICP) techniques to remove heavy metal in the natural environment: A critical review.

The occurrence of imbalanced heavy metals concentration due to anthropogenic hindrances in the aquatic and terrestrial environment has become a potential risk to life after circulating through different food chains. The microbial-induced carbonate precipitation (MICP) method has gradually received great attention from global researchers but the underlying mechanism of heavy metal mineralization is not well-understood and challenging, limiting the applications in wastewater engineering. This paper reviews the metabolic pathways, mechanisms, operational factors, and mathematical/modeling approaches in the MICP process. Subsequently, the recent advancement in MICP for the remediation of heavy metal pollution is being discussed. In the follow-up, the key challenges and prospective associated with technical bottlenecks of MICP method are elaborated. The prospective study reveals that MICP technology could be efficiently used to remediate heavy metal contaminants from the natural environment in a cost-effective way and has the potential to improve soil properties while remediating heavy metal contaminated soil.

Application of Metabonomics in Substance Abuse Toxicology Research.

Abstrct: Metabonomics is a relative discipline that develops after genomics and proteomics, and it is an important component of systems biology. It uses high-throughput and high-sensitivity instruments to perform qualitative and quantitative analysis of all metabolic components in specific biological samples under limited conditions and combines with multivariate statistics to analyze and process the data to obtain information about physiological, pathological or toxicological changes in organisms. In recent years, because of the complicated mechanism of substance abuse and the continuous emergence of new psychoactive substances, metabonomics is increasingly used in substance abuse research. Therefore, this article reviews the application of metabonomics of substance abuse in the toxic mechanism, the mechanism of addiction and the discovery of biomarkers.

Metabolomics-based comparative analysis of the effects of host and environment on Viscum coloratum metabolites and antioxidative activities.

Viscum coloratum (Kom.) Nakai is a well-known medicinal hemiparasite widely distributed in Asia. The synthesis and accumulation of its metabolites are affected by both environmental factors and the host plants, while the latter of which is usually overlooked. The purpose of this study was to comprehensively evaluate the effects of host and habitat on the metabolites in V. coloratum through multiple chemical and biological approaches. The metabolite profile of V. coloratum harvested from three different host plants in two habitats were determined by multiple chemical methods including high-performance liquid chromatography-ultraviolet (HPLC-UV), gas chromatography-flame ionization detector (GC-FID) and ultra-performance liquid chromatography quadrupole time of flight mass spectrometry (UPLC-QTOF/MS). The differences in antioxidant efficacy of V. coloratum were determined based on multiple in vitro models. The multivariate statistical analysis and data fusion strategy were applied to analyze the differences in metabolite profile and antioxidant activity of V. coloratum. Results indicated that the metabolite profile obtained by various chemical approaches was simultaneously affected by host and environment factors, and the environment plays a key role. Meanwhile, three main differential metabolites between two environment groups were identified. The results of antioxidant assay indicated that the environment has greater effects on the biological activity of V. coloratum than the host. Therefore, we conclude that the integration of various chemical and biological approaches combined with multivariate statistical and data fusion analysis, which can determine the influences of host plant and habitat on the metabolites, is a powerful strategy to control the quality of semi-parasitic herbal medicine.

Enhanced periphyton biodegradation of endocrine disrupting hormones and microplastic: Intrinsic reaction mechanism, influential humic acid and microbial community structure elucidation.

Endocrine-disrupting compounds (EDCs), as well as microplastics, have drawn global attention due to their presence in the aquatic ecosystem and persistence in wastewater treatment plants (WWTPs). In the present study, for simultaneous bio-removal of two EDCs, 17α-ethinylestradiol (EE2), bisphenol A (BPA), and a microplastic, polypropylene (PP) four kinds of periphytic biofilms were employed. Additionally, the effect of humic acid (HA) on the removal efficacy of these biofilms was evaluated. It was observed that EE2 and BPA (0.2 mg L-1 each) were completely (∼100%) removed within 36 days of treatment; and the biodegradation of EE2, BPA, and PP was significantly enhanced in the presence of HA. Biodegradation of EE2 and BPA was evaluated through Ultra-high performance liquid chromatography (UHPLC), and Gas chromatography coupled with tandem mass spectrometry (GC-MS/MS) was used to determine the mechanism of degradation. Gel permeation chromatography (GPC) and SEM had validated the biodegradation of PP (5.2-14.7%). MiSeqsequencing showed that the community structure of natural biofilm changed after the addition of HA, as well as after the addition of EDCs and PP. This change in community structure might be a key factor regarding variable biodegradation percentages. The present study revealed the potential of periphytic biofilms for the simultaneous removal of pollutants of different chemical natures, thus provides a promising new method for wastewater treatment applications.

[Effects of clay minerals on the transport of perfluorooctanoic acid in saturated porous media]. / é»åœŸçŸ¿ç‰©å¯¹å ¨æ°Ÿè¾›é ¸åœ¨é¥±å’Œå¤šå­”ä»‹è´¨ä¸­è¿ç§»è¡Œä¸ºçš„å½±å“.

We examined the effects of representative clay minerals, montmorillonite (M) and kaolin (K), on perfluorooctanoic acid (PFOA) transport under saturated conditions. Results showed that low amounts of M or K addition increased and high addition amounts reduced PFOA retardation in quartz sand during the transport. With increasing addition of clay minerals (0-50%, weight ratio), the retardation factor of the M-added system increased from 1.03±0.00 to 1.31±0.03 and then decreased to 0.72±0.06, while that of the K-added system increased to 1.30±0.02 and then decreased to 0.49±0.11. Results of the tracer experiment showed that low amount of M or K addition did not produce preferential flow, while high amount addition induced obvious preferential flow, which resulted in the decrease in PFOA retardation. In addition, due to limitations of the highly negative-charged surface of the M or K modified sand and the solid-liquid ratio of column experiment, the modified M or K sand had low adsorption capacity of PFOA and thus almost did not affect PFOA retention. However, the adsorption and desorption of PFOA by clay minerals might still be responsible for the increases in PFOA retardation with low amount of M or K addition. The results are of great significance for accurately assessing the transport process and eco-environmental risks of PFOA in soil-groundwater systems.

Variations of inorganic ions and dissolved organic matter in different types of peat bogs and its ecological significance.

Peat bogs, which cover only 3% of the global land surface, store about 30% of the global soil carbon (C), and are important carbon pools in terrestrial ecosystems. Dissolved organic matter (DOM) is an important part of carbon cycle in peatland, and also an important participant in biogeo-chemical process of peat. The variation of redox ability of DOM and inorganic ions in surface water, groundwater, and pore water of two sampling peatland (minerotrophic fen, LB; ombrotrophic bog, OS) were analyzed using novel electrochemical method and stable carbon isotope. The results showed that in the LB plot, inorganic elements were rich, and that anaerobic respiration dominated by inorganic electron acceptor was the main process. The redox ability differed across different LB water sources (surface water, groundwater, and pore water), which was mainly affected by the actual redox potentials. Iron and sulfate were generally in reduced state in the profile of pore water. The reaction level and depth of redox active groups of DOM which participated in redox process were influenced by inorganic electron acceptor. In the OS plot, organic matter was extremely rich, and organic electron acceptor contributed significantly in redox process. The redox ability of OS water samples from different sources performed differently, which was also mainly attributed to the actual redox potentials. The redox ability of pore water profile was affected by the chemical composition in peat substance at different depths. Therefore, electron accepting capacities (EAC) and oxidation index (OI) values could be used to identify the redox conditions along the gradient and to indicate the redox state of organic matter in aquatic systems.

Greenhouse gases emission control in WWTS via potential operational strategies: A critical review.

Greenhouse gases (GHGs; particularly, CO2, CH4, and N2O) emission from wastewater treatment systems (WWTS) is one of the inevitable concerns for sustainable development. This indicator is directly linked with the carbon footprint and potential impacts of WWTS on climate change. In this view, various modeling, design, and operational tools have been introduced to mitigate the WWTS associated GHGs, at regional and global scales. In this study, authors have critically reviewed the selected potential operational control strategies for GHGs emission, particularly emitted from the operational stages of biological WWTS. The investigated operational control strategies and/or treatment configurations included intermittent aeration, varying dissolved oxygen, enhanced sludge retention time, coupled aerobic-anoxic nitrous decomposition operation, and microalgae integrated treatment process. Based on this analysis and considering the trade-off between treatment performance of WWTS and GHGs control, an integrated framework is also proposed for existing and upcoming WWTS. The findings of this study and proposed framework will play an instrumental role in mitigating the GHGs at various operational stages of WWTS. Future research works in this direction can lead to a better understanding of investigated operational GHGs emission control strategies in WWTS.

[Reconstruction of temporal and spatial trends of atmospheric pollution based on polychlorinated biphenyls concentration changes in ombrotrophic bogs]. / åˆ©ç”¨é›¨å »æ³¥ç‚­æ²¼æ³½åŠæ¹–æ³Šæ²‰ç§¯ç‰©é‡å»ºå¤šæ°¯è”è‹¯æ±¡æŸ“æ—¶ç©ºå˜åŒ–è¶‹åŠ¿.

To reconstruct the deposition rate of polychlorinated biphenyls (PCBs) in different historical periods and to examine the temporal and spatial trend of PCBs pollution, we analyzed the changes of PCBs concentration and deposition rate in peat cores and lake sediments, and evaluated the suitability of peat cores and lake sediments for studying PCBs deposition trend. Through the dating analysis of all samples, we found that peat bog could well record the historical sedimentation of PCBs. PCBs did not degrade in peat, and it was thus feasible to use peatland to examine the settlement of PCBs. In this study, the reconstruction time of ∑11PCBs in peat was from the beginning of 19th century to the beginning of 21st century. The mean inventory of ∑11PCBs in three peat cores of each bog changed between (37.0±5.4) and (47.2 ±27.8) µg·m-2, with the standard deviation between 14.9% and 58.9%. The highest concentration of ∑11PCBs was 6.8 ng·g-1DW, while the maximum deposition rate of reconstructed PCBs was up to 989.7 ng·m-2·a-1. The trend of deposition rate was first increasing and then decreasing. After the year 1980, the deposition rate was substantially decreasing, which was consistent with the prohibition of PCBs production in the United States in 1979. Meanwhile, the analysis of sediment samples in the lake near bog showed that concentration and maximum deposition rate of the lake sediment were comparable to those of the nearby bog. The concentrations of Di- to Hepta-PCB congeners were evenly distributed along the sediment profile. Therefore, lake sediments could not be used to analyze the historical sedimentary model of low order PCBs. This study reconstructed temporal and spatial variation of PCBs in atmospheric environment in different historical periods, which could provide basic data for the evaluation of regional environmental quality.

Plant succession and geochemical indices in immature peatlands in the Changbai Mountains, northeastern region of China: Implications for climate change and peatland development.

Peatlands cover a small portion of the Earth's land surface but hold ~30% of soil carbon (C) globally. However, few studies have focused on the early stage of peatland development, which is a key stage in the initial C sink function of peatlands. An immature peatland is vulnerable to changes in environmental conditions, e.g., temperature and water conditions, as the peat accumulation process can be easily interrupted by such changes. It is important to understand how immature peatlands develop, what conditions are beneficial to this process, and the present status of these important peatlands. Plant macrofossil analysis and geochemical characteristics of peat were used to determine the plant succession and the degree of decomposition at two peatlands developing in the Changbai Mountain region of northeastern China. The results show that during the entire plant community succession, plants in the two studied peatlands are mainly characterized by sedges (Cyperaceae) and mosses (mainly Sphagnum). Plant macrofossil analysis reveals a wetter trend in the Yuan Lake (YL) peatland in the most upper part of peat layer, which provides favorable conditions for peat accumulation and peatland development. The C/N ratios of core Chi Lake (CL) show a steady peat decomposition and accumulation process in the CL peatland. Additionally, there was a clear impact of presence of Sphagnum on the variations in the C/N ratio. In the YL peatland, macro-charcoal pieces indicated that fire events during dry hydrological conditions had great effects on biogeochemical processes within the peatland, affecting peat decomposition and the succession of the local plant community. An increase in major and trace elements suggests only weak disturbance due to the considerable distance to human settlements. This study determines the characteristics of pristine mountainous peatlands and highlights the importance of understanding the regular plant community in the early stage of peatland formation, as well as its potential effects on C sinks.

Bio-remediation approaches for alleviation of cadmium contamination in natural resources.

Cadmium (Cd) is a harmful heavy metal that can cause potent environmental and health hazards at different trophic levels through food chain. Cd is relatively non-biodegradable and persists for a long time in the environment. Considering the potential toxicity and non-biodegradability of Cd in the environment as well as its health hazards, this is an urgent issue of international concern that needs to be addressed by implicating suitable remedial approaches. The current article specifically attempts to review the different biological approaches for remediation of Cd contamination in natural resources. Further, bioremediation mechanisms of Cd by microbes such as bacteria, fungi, algae are comprehensively discussed. Studies indicate that heavy metal resistant microbes can be used as suitable biosorbents for the removal of Cd (up to 90%) in the natural resources. Soil-to-plant transfer coefficient (TC) of Cd ranges from 3.9 to 3340 depending on the availability of metal to plants and also on the type of plant species. The potential phytoremediation strategies for Cd removal and the key factors influencing bioremediation process are also emphasized. Studies on molecular mechanisms of transgenic plants for Cd bioremediation show immense potential for enhancing Cd phytoremediation efficiency. Thus, it is suggested that nano-technological based integrated bioremediation approaches could be a potential futuristic path for Cd decontamination in natural resources. This review would be highly useful for the biologists, chemists, biotechnologists and environmentalists to understand the long-term impacts of Cd on ecology and human health so that potential remedial measures could be taken in advance.

Nature rejuvenation: Long-term (1989-2016) vs short-term memory approach based appraisal of water quality of the upper part of Ganga River, India.

The deteriorating water quality (WQ) of the sacred north-flowing perennial Indian River, Ganga was a serious concern in recent decades for population adjoining to the river and policy planners. The present evaluation attempts to assess the long-term (1989-2016) physiochemical characteristics of WQ of river Ganga at five upstream locations (Uttarkashi, Tehri, Rudraprayag, Devprayag, and Rishikesh) of Uttarakhand, India using comprehensive pollution index (CPI) and environmetrics (PCA and CA). These methods were used to categorize, summarize expensive datasets, and grouping the similar polluted areas along the river stretches. The WQ of river at all the locations were within the good category and most of the physiochemical parameters were well within their acceptable limit for drinking WQ. Considerably, CPI demonstrated the river WQ was in slight pollution range (CPI: 0.40-1.00) in the year 2007 and 2015 at all the five locations. The positive correlation coefficient (R2 > 0.50) among NO2 + NO3, Ca, Na, B, and K indicates the significant contribution of organic and inorganic salts through runoffs from catchments due to weathering of rocks. PCA confirmed the input source of nutrients in the river from both natural and anthropogenic sources. Moreover, the upstream WQ assessed was found to be good as compared to the severely polluted downstream region. Due to COVID-19 and shutdown in the country, reduction of pollution load in the river was observed due to the rejuvenation capability of river Ganga. This information can assist the environmentalist, policymaker, and water resources planners & managers to prepare strategic planning in advance to maintain the aesthetic and cultural value of Ganga river in future.

Exploring stereoselective excretion and metabolism studies of novel 2-(2-hydroxypropanamido)-5-trifluoromethyl benzoic acid enantiomers.

R-/S-2-(2-Hydroxypropanamido)-5-trifluoromethyl benzoic acid (R-/S-HFBA), as a novel COX inhibitor, was firstly reported to have remarkable anti-inflammatory and antiplatelet aggregation activities by our group. In our previous study, stereoselective differences in pharmacokinetics were found between HFBA enantiomers after oral and intravenous administration of each enantiomer to rats. The discrepancies might be associated with the excretion and metabolism of the two enantiomers. In this research, an UHPLC-MS/MS method was established and validated for quantification of R-/S-HFBA in rats urine, feces and bile samples in excretion study. Moreover, an ultra high performance liquid chromatography coupled with Fourier transform ion cyclotron resonance mass spectrometry (UHPLC-FT-ICR-MS) method was employed to understand the metabolism of R-/S-HFBA in rats. Results showed that the total cumulative excretion of R-/S-HFBA in three routes were 65.8% and 58.5% of the dose, respectively. The urinary excretion of R-/S-HFBA was the main route, which accounted for 40.2% and 31.7% respectively; the cumulative biliary excretion of R-/S-HFBA were 11.3% and 7.4%; the cumulative amounts of R-/S-HFBA excreted directly via feces without absorption from the gastrointestinal tract were 14.3% and 19.4%, respectively. R-/S-HFBA existed stereoselective discrepancy in excretion. In addition, 8 metabolites of S-HFBA were detected and tentatively identified including glucuronidation, glycine and N-acetyl conjugation while R-HFBA existed 7 metabolites without glycine conjugation. Formation of metabolites of R-/S-HFBA also exhibited stereoselectivity. In summary, these new findings on excretion and metabolism of R-/S-HFBA provided valuable information for stereoselective pharmacokinetics and were greatly helpful for further investigation, such as safety and mechanism of action.

Efflux behavior of inorganic mercury and methylmercury in the marine copepod Tigriopus japonicus.

Marine copepods play an important role in transferring mercury to higher trophic levels in aquatic ecosystems. Exposure time is an important environmental parameter that potentially influences the bioaccumulation and biomagnification of Hg in copepods, which increases the uncertainty in risk assessments of Hg in food chains. In the present study, we employed the radiotracer technique to evaluate the efflux behavior of inorganic mercury [Hg(II)] and methylmercury (MeHg), and the effects of exposure time in a population of Tigriopus japonicus copepods. Exposure treatments were compared to understand the effects of exposure time (1 d, 3 d, and 7 d) on the release routes and efflux rate constants (ke) of Hg in copepods. During a depuration period of 5 d, the ke value of Hg(II) in the three exposure treatments ranged from 0.190-0.330 d-1, while the ke of MeHg was generally slower and ranged from 0.031-0.051 d-1. The exposure time significantly affected the efflux rates of Hg(II), i.e., a longer exposure time caused a higher retained Hg(II) burden in copepods, while no significant changes were observed in the MeHg treatments. The release routes of Hg in T. japonicus included excretion, feces production, and reproduction. In all the treatments, the excretion of Hg was the most important release route. The relative contribution of reproduction significantly increased in the MeHg exposure treatments, while the contribution of water excretion decreased with exposure time. Our study demonstrated that the retention of Hg(II) and the maternal transfer of MeHg were time-dependent and significantly affected by exposure time. Long-term exposure caused a decrease in the ke of Hg(II) and increase in the contribution of MeHg transfer to nauplii, thereby indicating an increasing risk of biological transmission of Hg under long-term exposure.

Synthesis, pharmacological evaluation and molecular docking of novel R-/S-2-(2-hydroxypropanamido)-5-trifluoromethyl benzoic acid as dual anti-inflammatory anti-platelet aggregation agents.

R-/S-2-(2-hydroxypropanamido) benzoic acid (R-/S-HPABA), marine-derived anti-inflammatory antiplatelet drugs, were initially synthesised in our group. However, preliminary research showed that R-/S-HPABA were eliminated rapidly because of extensive hydroxylation metabolism of phenyl ring in vivo. In order to reduce significant hydroxylation metabolism to improve pharmacological activity and bioavailability, trifluoromethyl group was incorporated into R-/S-HPABA to synthesise R-/S-2-(2-hydroxypropanamido)-5-trifluoromethyl benzoic acid (R-/S-HFBA), respectively. The purposes of this study were to report the synthesis of R-/S-HFBA and compare the anti-inflammatory antiplatelet effect and pharmacokinetic properties of R-/S-HFBA with those of R-/S-HPABA. Carrageenan-induced rat paw edema assay was used for the evaluation of the anti-inflammatory activity. R-/S-HFBA showed better results in inhibiting edema and were able to prolong the anti-inflammatory effect after carrageenan injection. The antiplatelet aggregation activity of R-/S-HFBA and R-/S-HPABA was studied on arachidonic acid-induced platelet aggregation of rabbit platelet-rich plasma. The aggregation inhibition rate of R-/S-HFBA was significantly (p < 0.05) higher than that of R-/S-HPABA, respectively. Molecular docking study revealed that R-/S-HFBA possess more potent binding affinity with COX-1/COX-2 than R-/S-HPABA, respectively, and that the presence of trifluoromethyl group leads to increase in activity of R-/S-HFBA. R-/S-HFBA also afford more favorable pharmacokinetic properties than R-/S-HPABA, respectively, such as higher Cmax, larger AUC0-∞, and longer t1/2, which, as expected, are more metabolically stable.

Metabolomics Analysis Reveals that Ethylene and Methyl Jasmonate Regulate Different Branch Pathways to Promote the Accumulation of Terpenoid Indole Alkaloids in Catharanthus roseus.

The medicinal plant Catharanthus roseus accumulates large numbers of terpenoid indole alkaloids (TIAs), including the pharmaceutically important vinblastine, vincristine, ajmalicine, and serpentine. The phytohormone ethylene or methyl jasmonate (MeJA) can markedly enhance alkaloid accumulation. The interaction between ethylene or MeJA in the regulation of TIA biosynthesis in C. roseus is unknown. Here, a metabolomics platform is reported that is based on liquid chromatography (LC) coupled with time-of-flight mass spectrometry to study candidate components for TIA biosynthesis, which is controlled by ethylene or MeJA in C. roseus. Multivariate analysis identified 16 potential metabolites mostly associated with TIA metabolic pathways and seven targeted metabolites, outlining the TIA biosynthesis metabolic networks controlled by ethylene or MeJA. Interestingly, ethylene and MeJA regulate the 2-C-methyl-d-erythritol 4-phosphate (MEP) and acetate-mevalonate (MVA) pathways through AACT and HMGS and through DXS, respectively, to induce TIA biosynthesis in C. roseus. Overall, both nontargeted and targeted metabolomics, as well as transcript analysis, were used to reveal that MeJA and ethylene control different metabolic networks to induce TIA biosynthesis.

Cytotoxic lignans from the barks of Juglans mandshurica.

Phytochemical investigation of the barks of Juglans mandshurica Maxim led to the isolation, purification, and identification of one new lignan named Juglansol A (1), along with nine known compounds (2-10). Their structures were determined by the results of UV, IR, CD, HRESIMS, 1D, and 2D NMR spectroscopic analysis. Compounds 1-10 were evaluated for their cytotoxicities against A549, HepG2, Hep3B, Bcap-37, and MCF-7 cell lines. The results showed that compound 2 possessed stronger cytotoxicities against the tested tumor cell lines compared with positive control 5-fluorouracil.