Theoretical simulation studies for 3D and 2D systems

Theoretical simulation has become increasingly useful for the understanding and prediction of the properties of materials. In a first part, we used theoretical simulations to obtain a detailed understanding of the reaction mechanism behind the highly site- and enantio-selectivity for the tertiary C–H bond functionalization involving carbenes and catalyzed by a chiral dirhodium complex. In a second part, realistic models were used to demonstrate that so-called polar surfaces may be stabilized through a charge redistribution between the complete set of surfaces that depends upon the overall shape of the sample and on the nature of the material. Moreover, it is demonstrated that this charge re-distribution affects both bulk and surface properties.Die theoretische Simulation ist für das Verständnis und die Vorhersage der Eigenschaften für die Experimente zunehmend nützlich geworden. In einem ersten Teil verwendeten wir die theoretischen Simulationen, um ein detailliertes Verständnis des Reaktionsmechanismus hinter der hohen Regio- und Enantioselektivität für die tertiäre CH-Bindungsfunktionalisierung durch Carbenen zu erhalten, die durch eines chiralen Dirhodiumkomplex katalysiert wird. In einem zweiten Teil werden realistische Modelle dazu benutzt, um zu demonstrieren, dass die sogenannten polaren Oberflächen durch eine Ladungsumverteilung zwischen dem kompletten Satz von Oberflächen stabilisiert werden können, die von der Gesamtform der Probe und der Art des Materials abhängt. Es wird dabei auch gezeigt, dass diese Ladungsumverteilung zu Änderungen in sowohl Volumen- als auch Oberflächeneigenschaften führt

Comparing the International Knowledge Flow of China’s Wind and Solar Photovoltaic (PV) Industries: Patent Analysis and Implications for Sustainable Development

Climate-relevant technologies, like wind and solar energy, are crucial for mitigating climate change and for achieving sustainable development. Recent literature argues that Chinese solar firms play more active roles in international knowledge flows, which may better explain their success in international markets when compared to those of Chinese wind firms; however, empirical evidence remains sparse. This study aims to explore to what extent and how do the international knowledge flows differ between China’s wind and solar photovoltaic (PV) industries? From a network perspective, this paper develops a three-dimensional framework to compare the knowledge flows in both explicit and tacit dimensions: (i) inter-country explicit knowledge clusters (by topological clustering of patent citation network); (ii) inter-firm explicit knowledge flow (patent citation network of key firms); and, (iii) inter-firm tacit knowledge flow (by desktop research and interviews). The results show that China’s PV industry has stronger international knowledge linkages in terms of knowledge clustering and explicit knowledge flow, but the wind power industry has a stronger tacit knowledge flow. Further, this study argues that the differences of global knowledge links between China’s wind and solar PV industries may be caused by technology characteristics, market orientation, and policy implementation. This suggests that these industries both have strong connections to global knowledge networks, but they may involve disparate catch-up pathways that concern follower-modes and leader-modes. These findings are important to help us understand how China can follow sustainable development pathways in the light of climate change

Impact of the implementation of carbon emission trading on corporate financial performance : Evidence from listed companies in China

With the development of ecological paradigm coupled with the relentless implementation of myriad environmental policies in China, the rapid development of carbon emission trading and carbon trading market has had a vital impact on the financial performance of enterprises at the microlevel. This study has sampled the A-share listed companies in China, from 2009 to 2018, and adopted the difference-in-difference (DID) method to investigate the effect of the carbon emission trading on corporate financial performance from the microlevel. Evidence showed that the implementation of carbon emission trading effectively improved the total asset-liability ratio of enterprises, though it reduced the value of the current capital market. Moreover, in the regions under strict legal environment, the enhancement effect of the total asset-liability ratio was more obvious, whereas in the regions under loose legal environment, the reduction effect of the value of the capital market was more obvious. Further analysis showed that the implementation of carbon emission trading could not promote Chinese enterprises to increase R&D investment. Hence the implementation of carbon emission trading has improved the level of non-business income of enterprises incorporated into the trading system, but its impact on the investment income of enterprises was not significant.Peer reviewe

Seasonal Characteristics of Black Carbon Aerosol and its Potential Source Regions in Baoji, China

Continuous measurements of black carbon (BC) aerosol were made at a midsized urban site in Baoji, China, in 2015. The daily average mass concentrations varied from 0.6 to 11.5 mu g m(-3), with an annual mean value of 2.9 +/- 1.7 mu g m(-3). The monthly variation indicated that the largest loading of BC occurred in January and the smallest in June. The mass concentrations exhibited strong seasonality, with the highest occurring in winter and the lowest in summer. The large BC loadings in winter were attributed to the increased use of fuel for domestic heating and to stagnant meteorological conditions, whereas the low levels in summer were related to the increase in precipitation. BC values exhibited similar bimodal diurnal patterns during the four seasons, with peaks occurring in the morning and evening rush hours and an afternoon trough, which was associated with local anthropogenic activities and meteorological conditions. A potential source contribution function model indicated that the effects of regional transport mostly occurred in spring and winter. The most likely regional sources of BC in Baoji were southern Shaanxi province, northwestern Hubei province, and northern Chongqing during spring, whereas the northeastern Sichuan Basin was the most important source region during winter

Syk Is Required for Integrin Signaling in Neutrophils

AbstractThe Syk tyrosine kinase plays a critical role in the signaling machinery of various receptors of the adaptive immune system. Here we show that Syk is also an essential component of integrin signaling in neutrophils. syk−/− neutrophils failed to undergo respiratory burst, degranulation, or spreading in response to proinflammatory stimuli while adherent to immobilized integrin ligands or when stimulated by direct crosslinking of integrins. Signaling from the β1, β2, or β3 integrins was defective in syk−/− cells. Syk colocalized with CD18 during cell spreading and initiated downstream signaling events leading to actin polymerization. Surprisingly, these defects in integrin-mediated activation did not impair the integrin-dependent in vitro or in vivo migration of syk−/− neutrophils or of cells deficient in Src-family kinases. Thus, integrins use different signaling mechanisms to support migration and adherent activation

Effects of a particular heptapeptide on the IFN-α-sensitive CML cells

Abstract: Using the phage display biopanning technique, we have previously identified a heptapeptide KLWVIPQ which specifically bind to the surface of the IFN-α sensitive but not the IFN-α-resistant CML cells. The effects of this heptapeptide to the IFN-α-sensitive CML cells were investigated in the present study. IFN-α-sensitive KT-1/A3 and IFN-α-resistant KT-1/A3R CML cells were transfected by pEGFP KLWVIPQ expression vector and/or induced by IFN-α. WST-1 cell proliferation assay, flow cytometry and western blotting were performed to determine the effects of this heptapeptide and/or IFN-α on CML cells. The viability of the KT-1/A3 cells w as inhibited and apoptosis was induced by either expression of the heptapeptide KLWVIPQ or IFN-α treatment with concurrent up-regulation of P53 and down-regulation of P210bcr/abl. However, these effects were not observed in the IFN-α-resistant KT-1/A3R cells. These results suggest that the heptapeptide KLWVIPQ shares a similar mechanism w ith IFN-α in the regulat ion of CML cell growth and apoptosis, implying that the heptapeptide KLWVIPQ could be a novel target to go further into mechanisms of IFN-α sensitivity and/or resistance in CML

Cloning, over-expression, and characterization of a new carboxypeptidase A gene of Bacillus pumilus ML413 in Bacillus subtilis 168

Carboxypeptidase A (CPAs) are a well-studied group of zinc-containing exopeptidases that facilitate thebreakdown of proteins and peptides during metabolism. Carboxypeptidase A is typically produced in mammalian pancreatic, brain and other tissues. A new gene encoding carboxypeptidase A in the prokaryote Bacillus pumilus was amplified by polymerase chain reaction (PCR), ligated into the shuttle vector pMA5, and cloned in a GRAS bacteria-Bacillus subtilis 168 host. This gene sequence contained a 1621 bp open reading frame that encodes a protein of 540 amino acids. The optimum pH and temperature for enzyme activity were 7.5 and 50°C, respectively. The enzyme was quite stable at neutral pH and maintained about 65% activity following a 24 h incubation at 40°C. The Km of this CPA was 0.1 mM, much higher than in mammalian species. Glycerol, ammonium sulfate, and sodium citrate improved enzyme activity under optimal culture condition. The carboxypeptidase activity in recombinant B. subtilis 168 reached a maximum of 179 U ml-1 in a 5 L fermentator when cultured on improved medium. The over expression of  carboxypeptidase A in Bacillus subtilis has commercial applications.Key words: Bacillus pumilus, Bacillus subtilis 168, over-expression, orthogonal arrays, carboxypeptidase A,metallocarboxypeptidase

PINK1 Protects Against Gentamicin-Induced Sensory Hair Cell Damage: Possible Relation to Induction of Autophagy and Inhibition of p53 Signal Pathway

Phosphatase and tensin homolog (PTEN)-induced putative kinase 1 (PINK1) is a gatekeeper of mitochondrial quality control. The present study was aimed to examine whether PINK1 possesses a protective function against gentamicin (GM)-induced sensory hair cell (HC) damage in vitro. The formation of parkin particles (a marker revealing the activation of PINK1 pathway which is a substrate of PINK1 and could signal depolarized mitochondria for clearance) and autophagy were determined by immunofluorescence staining. The expressions of PINK1, LC3B, cleaved-caspase 3 and p53 were measured by Western blotting. The levels of reactive oxygen species (ROS) and apoptosis were respectively evaluated by DCFH-DA staining, Annexin V Apoptosis Detection Kit and TUNEL staining. Cell viability was tested by a CCK8 kit. We found that treatment of 400 μM GM elicited the formation of ROS, which, in turn, led to PINK1 degradation, parkin recruitment, autophagy formation, an increase of p53 and cleaved-caspase 3 in HEI-OC1 cells and murine HCs. In contrast, co-treatment with ROS scavenger N-acetyl-L-cysteine (NAC) inhibited parkin recruitment, alleviated autophagy and p53 pathway-related damaged-cell elimination. Moreover, PINK1 interference contributed to a decrease of autophagy but an increase of p53 level in HEI-OC1 cells in response to GM stimulus. Findings from this work indicate that PINK1 alleviates the GM-elicited ototoxicity via induction of autophagy and resistance the increase of p53 in HCs

Enhanced effect of microdystrophin gene transfection by HSV-VP22 mediated intercellular protein transport

Background: Duchenne musclar dystrophy (DMD) is an X-linked recessive disease caused by mutations of dystrophin gene, there is no effective treatment for this disorder at present. Plasmidmediated gene therapy is a promising therapeutical approach for the treatment of DMD. One of the major issues with plasmid-mediated gene therapy for DMD is poor transfection efficiency and distribution. The herpes simplex virus protein VP22 has the capacity to spread from a primary transduced cell to surrounding cells and improve the outcome of gene transfer. To improve the efficiency of plasmid-mediated gene therapy and investigate the utility of the intercellular trafficking properties of VP22-linked protein for the treatment for DMD, expression vectors for C-terminal versions of VP22-microdystrophin fusion protein was constructed and the VP22-mediated shuttle effect was evaluated both in vitro and in vivo. Results: Our results clearly demonstrate that the VP22-microdystrophin fusion protein could transport into C2C12 cells from 3T3 cells, moreover, the VP22-microdystrophin fusion protein enhanced greatly the amount of microdystrophin that accumulated following microdystrophin gene transfer in both transfected 3T3 cells and in the muscles of dystrophin-deficient (mdx) mice. Conclusion: These results highlight the efficiency of the VP22-mediated intercellular protein delivery for potential therapy of DMD and suggested that protein transduction may be a potential and versatile tool to enhance the effects of gene delivery for somatic gene therapy of DMD.National Natural Science Foundation of China (30370510, 30170337); CMB Fund (4209347); the Key Project of the State Ministry of Public Health (2001321); and National Nature Science Foundation of China (30400322)

Using Ipomoea aquatic as an environmental-friendly alternative to Elodea nuttallii for the aquaculture of Chinese mitten crab

Elodea nuttallii is widely used in Chinese mitten crab (CMC) rearing practice, but it is not a native aquatic plant and cannot endure high temperature. Thus, large E. nuttallii mortality and water deterioration events could occur during high-temperature seasons. The aim of this study was to identify the use of local macrophytes in CMC rearing practice, including Ipomoea aquatic and Oryza sativa. A completely randomized field experiment was conducted to investigate the crab yield, water quality, bacterioplankton community and functions in the three different systems (E. nuttallii, I. aquatic, and O. sativa). Average crab yields in the different macrophyte systems did not differ significantly. The I. aquatic and O. sativa systems significantly decreased the total nitrogen and nitrate-N quantities in the outflow waters during the rearing period compared to the E. nuttallii system, and the I. aquatic and O. sativa plants assimilated more nitrogen than the E. nuttallii plant. Moreover, the significant changes of bacterioplankton abundances and biodiversity in the three systems implied that cleanliness of rearing waters was concomitantly attributed to the differential microbial community and functions. In addition, principle component analysis successfully differentiated the bacterioplankton communities of the three macrophytes systems. Environmental factor fitting and the co-occurrence network analyses indicated that pH was the driver of bacterioplankton community structure. Functional predictions using PICRUSt (v.1.1.3) software based on evolutionary modeling indicated a higher potential for microbial denitrification in the I. aquatic and O. sativa systems. Notably, the O. sativa plants stopped growing in the middle of the rearing period. Thus, the I. aquatic system rather than the O. sativa system could be a feasible and environmental-friendly alternative to the E. nuttallii system in CMC rearing practice