Deep eutectic solvents, as an alternative to ionic liquids, have greener credentials than ionic liquids, and have attracted considerable attention in related chemical research. Deep eutectic solvents ...have attracted increasing attention in chemistry for the extraction and separation of various target compounds from natural products. This review highlights the preparation of deep eutectic solvents, unique properties of deep eutectic solvents, and synthesis of deep‐eutectic‐solvent‐based materials. On the other hand, application in the extraction and separation of deep eutectic solvents is also included in this report. In this paper, the available data and references in this field are reviewed to summarize the applications and developments of deep eutectic solvents. Based on the development of deep eutectic solvents, an exploitation of new deep eutectic solvents and deep eutectic solvents‐based materials is expected to diversify into extraction and separation.
IL-17, a potent proinflammatory cytokine, has been shown to intimately contribute to the formation, growth, and metastasis of a wide range of malignancies. Recent studies implicate IL-17 as a link ...among inflammation, wound healing, and cancer. While IL-17-mediated production of inflammatory mediators mobilizes immune-suppressive and angiogenic myeloid cells, emerging studies reveal that IL-17 can directly act on tissue stem cells to promote tissue repair and tumorigenesis. Here, we review the pleotropic impacts of IL-17 on cancer biology, focusing how IL-17-mediated inflammatory response and mitogenic signaling are exploited to equip its cancer-promoting function and discussing the implications in therapies.
The methodology development and applications of ReaxFF molecular dynamics (ReaxFF MD) in unraveling the complex reactions and kinetics for pyrolysis and oxidation of organic systems are reviewed. ...Particular attention is given to the large-scale ReaxFF MD simulation method of ∼10,000 atoms and practical simulation strategies to overcome the temporal–spatial limits as much as possible. High-performance computing codes running on CPU cluster/supercomputers and on GPU were overviewed. GPU-enabled code like GMD-Reax is revolutionizing large-scale ReaxFF MD simulations to run mainly on a single GPU. A step-forward for reaction analysis was achieved in the code of VARxMD to reveal detailed reactions based on the identification of bond types and unique species that allows for categorization of reaction species and pathways through structure searching of reaction sites and reactants/products. Efforts for extracting rate constants and kinetics modeling from unperturbed kinetics of ReaxFF MD simulations are reviewed, and challenges remain. The important factors of model scale effects, elevated simulation temperature, and possible validation of ReaxFF MD reaction simulation results theoretically and experimentally are illustrated and discussed. The novel hybrid simulation strategies proposed recently that may expand applications of ReaxFF MD to connect with realistic scenarios of engine combustion and relevant chemical effects on aerospace vehicle materials are briefed. The simulation practices of large-scale ReaxFF MD in understanding the similarities and differences of reactivity and reaction mechanisms in pyrolysis of liquid hydrocarbon fuels, solid fuels (coal, biomass, polymer), and energetic materials of CL-20 and its cocrystals are briefly described, which indicates that large-scale ReaxFF MD simulations are a feasible and straight means to capture the dynamics of an almost entire reaction process and to evaluate reactivity of organic systems computationally. There is still a great deal of work to be done to push the boundaries of ReaxFF MD simulations forward. With the constant improvement of the ReaxFF force field and reaction analysis capability, ReaxFF MD playing a key role in understanding reaction mechanisms and its potential in kinetics modeling of pyrolysis and oxidation of various fuels can be expected.
The effect of free ammonia on volatile fatty acid （VFA） accumulation and process instability was studied using a lab-scale anaerobic digester fed by two typical bio-wastes： fruit and vegetable waste ...（FVW） and food waste （FW） at 35℃ with an organic loading rate （OLR） of 3.0 kg VS/（m3-day）. The inhibitory effects of free ammonia on methanogenesis were observed due to the low C/N ratio of each substrate （15.6 and 17.2, respectively）. A high concentration of free ammonia inhibited methanogenesis resulting in the accumulation of VFAs and a low methane yield. In the inhibited state, acetate accumulated more quickly than propionate and was the main type of accumulated VFA. The co-accumulation of ammonia and VFAs led to an ＂inhibited steady state＂ and the ammonia was the main inhibitory substance that triggered the process perturbation. By statistical significance test and VFA fluctuation ratio analysis, the free ammonia inhibition threshold was identified as 45 mg/L. Moreover, propionate, iso-butyrate and valerate were determined to be the three most sensitive VFA parameters that were subject to ammonia inhibition.
With the rapid development of service-oriented computing (SOC)/service-oriented architecture (SOA), cloud computing and web services, cloud-based design and manufacture (CBDM) is emerging as ...state-of-the-art technologies and methodologies to enable collaborative product development (CPD). CBDM-enabled CPD can provide cost-effective, flexible and scalable solutions to collaborative partners by sharing the resources in the applications of design and manufacturing. Feature-based data exchange (FBDE) has been one of the key issues in history of CPD and should be adapted in lasted CBDM-enabled CPD. Firstly this paper presents a service-oriented architecture for data exchange in CBDM. Within this architecture, FBDE was registered as service and FBDE users in the CBDM environment can acquire a set of FBDE services to replace the traditional FBDE functions among heterogeneous CAD systems. Secondly, in orderto put the philosophy of FBDE-as-a-Service into practice for CBDM, this paper proposes a peerto peer (P2P) approach for service-oriented FBDE, which revolutionizes the traditional centralized and neutral-file based approach. Thirdly, technique issues of FBDE-as-a-Service in P2P architecture are discussed in details, including constituting of the P2P FBDE service, procedure of service-oriented P2P FBDE, pre-P2P FBDE service, topological entity matching between pre/post-P2P service and post-P2P FBDE service. Finally, a case study of data exchange is tested to demonstrate the proposed idea of service-oriented FBDE for CBDM.
This paper provides the first evidence of the debt and stock market reaction to corporate green bond issuance in the simultaneously largest developing economy and largest emerging debt market, China. ...Utilizing a most comprehensive sample of Chinese green bonds, we document a pricing premium of corporate green bonds relative to conventional bonds. The economic magnitude of the Chinese green bond pricing premium is greatly larger than that of an international green bond documented in prior studies. The pricing premium of corporate green bonds is most pronounced for new issues from high corporate social responsibility (CSR) issuers and underwriters. It is also stronger for corporate issuers with less ownership concentration and held by long-term institutional investors. Further analysis reveals positive announcement stock returns for green bond new issues, consistent with the stakeholder value maximization theory that corporate engagement in sustainable financing practice increases firm value in a long run and thus is favored by shareholders.
•This paper provides the first evidence of the debt and stock market reaction to green bond issuance in China, the largest home country for green bonds as of 2018.•We document a robust pricing premium of corporate green bonds relative to otherwise•This study is novel in uncovering the important roles of issuers, underwriters and bond investors in determining the green bond price premium.•Stock market investors positively react to the announcements of green bond new issues.
IL-17 is a highly versatile pro-inflammatory cytokine crucial for a variety of processes, including host defense, tissue repair, the pathogenesis of inflammatory disease and the progression of ...cancer. In contrast to its profound impact in vivo, IL-17 exhibits surprisingly moderate activity in cell-culture models, which presents a major knowledge gap about the molecular mechanisms of IL-17 signaling. Emerging studies are revealing a new dimension of complexity in the IL-17 pathway that may help explain its potent and diverse in vivo functions. Discoveries of new mRNA stabilizers and receptor-directed mRNA metabolism have provided insights into the means by which IL-17 cooperates functionally with other stimuli in driving inflammation, whether beneficial or destructive. The integration of IL-17 with growth-receptor signaling in specific cell types offers new understanding of the mitogenic effect of IL-17 on tissue repair and cancer. This Review summarizes new developments in IL-17 signaling and their pathophysiological implications.
Mechanisms investigation of coal pyrolysis will aid efficient and clean coal conversion and utilization. However, coal pyrolysis is a complex process involving myriad coupled reaction pathways such ...that the deeper understanding of its mechanism is still limited even with state-of-the-art experimental approaches. In this paper, ReaxFF molecular dynamics simulation was employed to perform simulation of chemical reactions in pyrolysis of a bituminous coal model with 4976 atoms to examine the nascent decomposition mechanisms and product profiles at temperatures from 1000 to 2000 K over a 250 ps simulation period. It is found that more than 900 reactions may occur at the temperature 2000 K within the simulation period with a trajectory output interval of 12.5 ps, and a detailed chemical reaction network was obtained by further analysis of the trajectory using a newly created C++ program. The product profile evolution tendency with temperature observed in the simulation agrees well with what was obtained experimentally in the literature. In addition, the sequence of gas generation was H2O, CO2, CO, C2H6, and then CH4 consistent with experimental observations. We believe that the methodology presented in this paper offers a new and promising approach to systematically build understanding of the complex chemical reactions in thermolysis of very complicated molecular systems.
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•Cellulose pyrolysis is simulated with large-scale models by GPU-based ReaxFF MD.•Chemical mechanisms studied with the unique VARxMD for reaction analysis.•Overall spectrum of product ...tendency and underlying detailed reactions revealed.•Simulated product evolution (500–1400K) agrees well with Py-GC/MS (673–1073K).•A reaction scheme for major pyrolyzates is obtained.
Mechanism investigation of cellulose pyrolysis is remarkably useful for efficient utilization of biomass. In this paper, a new methodology rooted in the first GPU enabled ReaxFF MD simulation program (GMD-Reax) and the unique cheminformatics based reaction analysis tool (VARxMD) was employed to investigate the initial reaction mechanism of cellulose pyrolysis. Both the overall spectrum product evolution and underlying detailed chemical reactions of cellulose pyrolysis have been revealed. A reaction scheme of cellulose pyrolysis with detailed reaction pathways for major pyrolyzates has been obtained that is not readily accessible by experiments. The simulated evolution tendencies of the major pyrolysis products (glycolaldehyde, levoglucosan and water) with temperature at 500–1400K agrees well with the Py-GC/MS experimental observations at 673–1073K. Compared with the large temperature discrepancy imposed by the widely used simulation strategy of artificially increased temperature in ReaxFF MD, the very close temperature range between the simulations and experiments suggests that cellulose is a good model system to validate the ReaxFF force field in predicting the behavior and chemistry events in pyrolysis of complex molecular systems. The computational approach of large model simulation facilitated by efficient computation of GMD-Reax, and chemical reaction analysis capability of VARxMD can shed new light on the detailed chemical mechanisms of pyrolysis for cellulose and other biomass.
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