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  • 1
    Publication Date: 2018-10-18
    Description: In recent years, many scholars have carried out studies on c-C 4 F 8 and its gas mixture and found it has potential to be used as an environment-friendly insulating medium to replace SF 6 in medium-voltage equipment. In this paper, the c-C 4 F 8 and c-C 4 F 8 /N 2 gas mixture models were built to study its decomposition process by the combination of reactive molecular dynamics method and density functional theory. The yield of the main decomposition products, the reaction pathways and enthalpy under different temperatures were explored. It was found that the decomposition of c-C 4 F 8 /N 2 mainly produces CF 2 , F, CF 3 , CF, C, CF 4 and C 2 F 4 . c-C 4 F 8 can decompose to C 2 F 4 by absorbing 43.28 kcal/mol, which is the main decomposition path and this process easily occurs under high temperature. There is a dynamic equilibrium process among the various produced radicals, which ensures the insulation performance of system to a certain extent. The decomposition performance of c-C 4 F 8 /N 2 mixture is better than that of pure c-C 4 F 8 at the same temperature. Relevant results provide guidance for engineering application of the c-C 4 F 8 /N 2 gas mixture.
    Keywords: chemical physics, electrical engineering
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 2
    Publication Date: 2018-08-09
    Description: Upward mining of the residual coal seam over an abandoned pillar working is one of the effective measures to alleviate the contradiction between limited resources and increased consumption. Interburden stability over an abandoned pillar working plays a significant role in guaranteeing the safety of upward mining; however, it has not yet been extensively studied and understood. In this study, the vertical stress of the interburden over an abandoned pillar working was first investigated. The mechanical model of the interburden was established and the damage conditions were analysed. Then, the stability of the interburden over 38502 abandoned workings in Baijiazhuang coal mine was determined by mechanical analysis and field monitoring. The results show that: (i) Vertical stress of the interburden over abandoned mining zones is clearly lower than the initial stress, indicating the existence of a de-stressed effect. Moreover, vertical stress of the interburden over residual coal pillars is greater than the initial stress, which is the evidence of a stress concentration effect. (ii) The interburden over an abandoned pillar working should be regarded as an elastic rectangular plate supported by generalized Kelvin bodies in mechanical modelling. (iii) The interburden over abandoned mining zones may experience two damage stages. In the first stage, initial plastic damage appears at the central region of interburden. In the second stage, the plastic damage evolves from the central point to the surrounding areas. (iv) The mechanical analysis and field monitoring both indicate the initial damage occurred at the central region over 38502 abandoned workings in Baijiazhuang coal mine before upward mining. Related rock control measures should be implemented in that region to guarantee the safe mining of the residual coal seam.
    Keywords: energy
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 3
    Publication Date: 2018-05-31
    Description: The metabolic profiles of tobacco leaves of two differential Chinese cultivars from different growing regions were analysed using gas chromatography–mass spectrometry (GC–MS). The results of principal component analysis, partial least-squares discriminant analysis and hierarchical cluster analysis showed significant differences in metabolome among three groups, identified 24 differential metabolites, and analysed the metabolic pathway in which the metabolites were involved. Among them, 13 metabolites were associated with geographical regions, including seven organic and fatty acids, four carbohydrates and two secondary metabolites. Four amino acids and two monosaccharides were associated with cultivars and the remaining five metabolites were associated with both. The relationships among the differential metabolites and the distinct characteristics of environment and cultivar were further discussed. In addition, correlation analysis indicated that most of the differential carbohydrates were negatively correlated with the differential amino acids and organic acids. Taken together, this study demonstrates the metabolite differences between two cultivars in different regions, and highlights the effect of environment and cultivar on tobacco leaf metabolism.
    Keywords: biochemistry
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 4
    Publication Date: 2017-11-30
    Description: In this study, Fe(III)-cross-linked chitosan beads (Fe(III)-CBs) were synthesized and employed to explore the characteristics and primary mechanism of their hexavalent chromium (Cr(VI)) adsorption under low concentration Cr(VI) (less than 20.0 mg l –1 ) and a pH range from 2.0 to 8.0. Batch tests were conducted to determine the Cr(VI) adsorption capacity and kinetics, and the effects of pH and temperature on the adsorption under low concentration Cr(VI) and a pH range from 2.0 to 8.0. Scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy and X-ray photoelectron spectroscopy were employed to explore the characteristics of Fe(III)-CBs and their Cr(VI) adsorption mechanisms. The results show that, unlike the adsorption of other absorbents, the Cr(VI) adsorption was efficient in a wide pH range from 2.0 to 6.0, and well described by the pseudo-first-order model and the Langmuir–Freundlich isotherm model. The capacity of Cr(VI) adsorption by Fe(III)-CBs was as high as 166.3 mg g –1 under temperature 25°C and pH 6.0. The desorption test was also carried out by 0.1 mol l –1 NaOH solution for Fe(III)-CBs regeneration. It was found that Fe(III)-CBs could be re-used for five adsorption–desorption cycles without significant decrease in Cr(VI) adsorption capacity. Ion exchange was confirmed between functional groups (i.e. amino group) and Cr(VI) anions (i.e. CrO42– ). The amino-like functional groups played a key role in Cr(VI) distribution on the Fe(III)-CBs surface; Cr(VI) adsorbed on Fe(III)-CBs was partially reduced to Cr(III) with alcoholic group served as electron donor, and then formed another rate-limiting factor. So, Fe(III)-CBs has a good prospect in purifying low concentration Cr(VI) water with a pH range from 2.0 to 6.0.
    Keywords: environmental chemistry, environmental engineering
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 5
    Publication Date: 2018-10-18
    Description: Aiming at the problem of the fatigue life prediction of rubber under the influence of temperature, the effects of thermal ageing and fatigue damage on the fatigue life of rubber under the influence of temperature are analysed and a fatigue life prediction model is established by selecting strain energy as a fatigue damage parameter based on the uniaxial tensile data of dumbbell rubber specimens at different temperatures. Firstly, the strain energy of rubber specimens at different temperatures is obtained by the Yeoh model, and the relationship between it and rubber fatigue life at different temperatures is fitted by the least-square method. Secondly, the function formula of temperature and model parameters is obtained by the least-square polynomial fitting. Finally, another group of rubber specimens is tested at different temperatures and the fatigue characteristics are predicted by using the proposed prediction model under the influence of temperature, and the results are compared with the measured results. The results show that the predicted value of the model is consistent with the measured value and the average relative error is less than 22.26%, which indicates that the model can predict the fatigue life of this kind of rubber specimen at different temperatures. What's more, the model proposed in this study has a high practical value in engineering practice of rubber fatigue life prediction at different temperatures.
    Keywords: materials science
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 6
    Publication Date: 2018-06-14
    Description: To study puff-by-puff release characteristics of crotonaldehyde in mainstream cigarette smoke under diverse intensive smoking regimens, we designed an RM20H smoking machine with a puff-by-puff smoke collection unit to automatically trap crotonaldehyde in the mainstream cigarette smoke. Using this process, we trapped, puff-by-puff, crotonaldehyde in mainstream smoke generated by different smoking regimens and quantitatively analysed the levels of crotonaldehyde using high-performance liquid chromatography with a modified QuEChERS sample pretreatment method. On the basis of the crotonaldehyde in each puff, we determined crotonaldehyde's puff-by-puff release characteristics. The results showed that crotonaldehyde's puff-by-puff release remained nearly constant for the International Organization for Standardization mode while increased polynomial trend was seen ( n ≥ 6) under the Massachusetts and Health Canada smoking regimens. The equation fit for various regimens was good ( R 2 〉 0.9192). Release characteristics by puff were classified into four categories: (1) first, second and third puffs; (2) fourth and fifth puffs; (3) sixth puff; and (4) seventh and eighth puffs.
    Keywords: analytical chemistry
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 7
    Publication Date: 2017-07-20
    Description: Two new lactone-containing selaginellins T and U ( 1 and 2 ) together with eleven known selaginellin derivatives ( 3 and 7 – 16 ) were isolated from the whole plant of Selaginella tamariscina . The structure of tautomeric selaginellin U along with its biogenetic pathway was confirmed and proposed by a cross-validation of the semisynthesis of compound 4 from selaginellin ( 3 ) and derivation from 2 to 4 . Additionally, compounds 3 , 13 and 16 exhibited good inhibitory activities against β-site amyloid precursor protein cleaving enzyme 1 (BACE1) with IC 50 values of 81.17, 51.13 and 48.89 µM, respectively.
    Keywords: organic chemistry, synthetic chemistry
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 8
    Publication Date: 2018-08-02
    Description: Municipal solid waste incineration (MSWI) fly ash has a high concentration of heavy metals (HMs) which are hazardous to the environment. Moreover, it has high pH and buffering capacity which hinders the removal of HMs. Another constraining factor is the considerable fraction of HMs which exist in oxidizable and reducible states. The acid pretreatment of MSWI fly ash is a key solution to this problem. Therefore, the current experiment is carried out to evaluate the effect of acid pretreatment of MSWI fly ash and reaction/proposed time on the removal efficiency of HMs through an electrokinetic experiment. The leaching experiment results show that acid pretreatment has increased the desorption/release of heavy metal ions (Pb 2+ , Cd 2+ , Cu 2+ and Zn 2+ ). It enhances the migration of HM ions in electrolytic cells which get precipitated at the cathode, thereby increasing the removal efficiency of HMs in the electrokinetic experiment. Moreover, it is found that prolonged proposed time (12 d) has significant effect on the removal efficiency of HMs. Finally, it is concluded that acid pretreatment and prolonged proposed time have enhanced the removal electrokinetic remediation of HMs which is carried out via three processes, i.e. desorption (enhanced by acidification), migration and precipitation.
    Keywords: environmental chemistry, environmental science
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 9
    Publication Date: 2018-05-03
    Description: The influences of ammonia (NH 3 ) on secondary organic aerosol (SOA) formation from ozonolysis of styrene have been investigated using chamber experiments and quantum chemical calculations. With the value of [O 3 ] 0 /[styrene] 0 ratios between 2 and 4, chamber experiments were carried out without NH 3 or under different [NH 3 ]/[styrene] 0 ratios. The chamber experiments reveal that the addition of NH 3 led to significant decrease of SOA yield. The overall SOA yield decreased with the [NH 3 ] 0 /[styrene] 0 increasing. In addition, the addition of NH 3 at the beginning of the reaction or several hours after the reaction occurs had obviously different influence on the yield of SOA. Gas phase reactions of Criegee intermediates (CIs) with aldehydes and NH 3 were studied in detail by theoretical methods to probe into the mechanisms behind these phenomena. The calculated results showed that 3,5-diphenyl-1,2,4-trioxolane, a secondary ozonide formed through the reactions of C 6 H 5 ĊHOO· with C 6 H 5 CHO, could make important contribution to the aerosol composition. The addition of excess NH 3 may compete with aldehydes, decreasing the secondary ozonide yield to some extent and thus affect the SOA formation.
    Keywords: physical chemistry, computational chemistry
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 10
    Publication Date: 2017-11-16
    Description: Curcumin is an active component derived from Curcuma longa L. which is a traditional Chinese medicine that is widely used for treating metabolic diseases through regulating different molecular pathways. Here, in this study, we aimed to comprehensively investigate the effects of curcumin on glycolipid metabolism in vivo and in vitro and then determine the underlying mechanism. Male C57BL/6 J obese mice and 3T3-L1 adipocytes were used for in vivo and in vitro study, respectively. Our results demonstrated that treatment with curcumin for eight weeks decreased body weight, fat mass and serum lipid profiles. Meanwhile, it lowered fasting blood glucose and increased the insulin sensitivity in high-fat diet-induced obese mice. In addition, curcumin stimulated lipolysis and improved glycolipid metabolism through upregulating the expressions of adipose triglyceride lipase and hormone-sensitive lipase, peroxisome proliferator activated receptor /α (PPAR/α) and CCAAT/enhancer binding proteinα (C/EBPα) in adipose tissue of the mice. In differentiated 3T3-L1 cells, curcumin reduced glycerol release and increased glucose uptake via upregulating PPAR and C/EBPα. We concluded that curcumin has the potential to improve glycolipid metabolism disorders caused by obesity through regulating PPAR signalling pathway.
    Keywords: biochemistry
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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