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  • 1
    Publication Date: 2018-08-16
    Description: At present, the disadvantage of powder epoxy adhesive is the limited application area. In order to widen the application range of powder epoxy adhesive from heat-resistant substrates (such as metals) to heat-sensitive substrates (such as plastic products, cardboard and wood), it is necessary to decrease the curing temperature. In this article, a series of fast-curing powder epoxy adhesives were prepared by the melt blending method with bisphenol A epoxy resin (E-20), hexamethylenetetramine (HMTA) as a curing agent and 2-methylimidazole (2-MI) as an accelerant. The structure and properties of the E-20/HMTA/2-MI systems were characterized by Fourier transform infrared, thermogravimetric analysis, dynamic mechanical analyser and differential scanning calorimetry (DSC). 2-MI added into the E-20/HMTA systems can simultaneously enhance toughness, tensile strength, glass transition temperature ( T g ) and thermal stability in comparison with the E-20/HMTA systems. The best mechanical properties were obtained at 100/8/0.6 weight ratio of the E-20/HMTA/2-MI systems. DSC experiments revealed that the exothermic peak of the E-20/HMTA/2-MI system was about 55°C lower than that of the E-20/HMTA system. The activation energy of the cure reaction was determined by both Kissinger's and Ozawa's methods at any heating rates. The activation energy and pre-exponential factor were about 100.3 kJ mol –1 and 3.57 x 10 11 s –1 , respectively. According to the KAS method, the curing time of the E-20/HMTA/2-MI systems was predicted by evaluating the relationship between temperature and curing time.
    Keywords: materials science
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 2
    Publication Date: 2018-08-16
    Description: Resulting from the drastic increase of atmospheric CO 2 concentration day by day, global warming has become a serious environmental issue nowadays. The fixation of CO 2 to obtain desirable, economically competitive chemicals has recently received considerable attention. This work investigates the fixation of CO 2 along with three bromopyridines via a facile electrochemical method using a silver cathode to synthesize picolinic acids, which are important industrial and fine chemicals. Cyclic voltammetry is employed to investigate the cyclic voltammetric behaviour of bromopyridines. In addition, systematic study is conducted to study the relationships between the picolinic acids' yield and the electrolysis conditions and intrinsic parameters. The results show that the target picolinic acids' yields are strongly dependent on various conditions such as solvent, supporting electrolyte, current density, cathode material, charge passed, temperature and the nature of the substrates. Moreover, in the studied electrode materials such as Ag, Ni, Ti, Pt and GC, electrolysis and cyclic voltammetry show that Ag has a good electrocatalytic effect on the reduction and carboxylation of bromopyridine. This facile electrochemical route for fixation of CO 2 provides an indispensable reference for the conversion and utilization of CO 2 under mild conditions.
    Keywords: synthetic chemistry, environmental chemistry, green chemistry
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 3
    Publication Date: 2018-11-15
    Description: In this study, a newly isolated oleaginous fungus, Mucor circinelloides ( M. circinelloides ) Q531, was able to convert mulberry branches into lipids. The highest yield and the maximum lipid content produced by the fungal cells were 42.43 ± 4.01 mg per gram dry substrate (gds) and 28.8 ± 2.85%, respectively. The main components of lignocellulosic biomass were gradually reduced during solid-state fermentation (SSF). Cellulose, hemicellulose and lignin were decreased from 45.11, 31.39 and 17.36% to 41.48, 28.71, and 15.1%, respectively. Gas chromatography analysis showed that the major compositions of the fermented products were palmitic acid (C16:0, 18.42%), palmitoleic acid (C16:1, 5.56%), stearic acid (C18:0, 5.87%), oleic acid (C18:1, 33.89%), linoleic acid (C18:2, 14.45%) and -linolenic acid (C18:3 n6, 22.53%) after 2 days of SSF. The fatty acid methyl esters contained unsaturated fatty acids with a ratio of 75.95%. The composition and content obtained in this study are more advantageous than those of many other biomass lipids. Meanwhile, the oleaginous fungus had a high cellulase activity of 1.39 ± 0.09 FPU gds –1 . The results indicate that the enzyme activity of the isolated fungus was capable of converting the cellulose and hemicelluloses to available sugar monomers which are beneficial for the production of lipids.
    Keywords: chemical biology
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 4
    Publication Date: 2018-11-29
    Description: Drug repurposing aims to find novel indications of clinically used or experimental drugs. Because drug data already exist, drug repurposing may save time and cost, and bypass safety concerns. Polypharmacology, one drug with multiple targets, serves as a basis for drug repurposing. Large-scale databases have been accumulated in recent years, and utilization and integration of these databases would be highly helpful for polypharmacology and drug repurposing. The Connectivity Map (CMap) is a database collecting gene-expression profiles of drug-treated human cancer cells, which has been widely used for investigation of polypharmacology and drug repurposing. In this study, we integrated the next-generation L1000-based CMap and an analytic Web tool, the L1000FWD, for systematic analyses of polypharmacology and drug repurposing. Two different types of anti-cancer drugs were used as proof-of-concept examples, including histone deacetylase (HDAC) inhibitors and topoisomerase inhibitors. We identified KM-00927 and BRD-K75081836 as novel HDAC inhibitors and mitomycin C as a topoisomerase IIB inhibitor. Our study provides a prime example of utilization and integration of the freely available public resources for systematic polypharmacology analysis and drug repurposing.
    Keywords: molecular biology, bioinformatics, chemical biology
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 5
    Publication Date: 2018-05-03
    Description: The structure of cucurbit[6]uril (CB[6]), as a fascinating supramolecular receptor, is regarded as ‘indestructible’. Herein, we investigated the hydrolysis of CB[6] catalysed by alkali. Our results showed that CB[6] was easily hydrolysed in 30% NaOH at 160°C within 3 h. Separation and purification of hydrolytic products demonstrated the presence of NH 3 , CO 2 , HCOONa, glycine and hydantoic acid. Based on the studies of the hydrolysis of substances similar to CB[6] including 4,5-dihydroxyethyleneurea, glycoluril and glycoluril dimer, we proposed that a plausible reaction mechanism involved a Cannizzaro reaction, which is supported by HPLC, mass spectrometry data and previous reports. Further studies are dedicated towards a controlled hydrolysis of CB[6], which will provide a new route for direct functionalization of CB[6].
    Keywords: organic chemistry, supramolecular chemistry
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 6
    Publication Date: 2018-06-14
    Description: A series of conjugates of 10-hydroxy camptothecin (HCPT) with functionalized norcantharidin derivatives were regio-selectively synthesized in the condition of (3-dimethylaminopropyl) ethyl-carbodiimide monohydrochloride in a moderate yield. The synthesized conjugate HCPT pro-drugs can also suppress cancer cell growth in vitro . These conjugated pro-drug constructs possess therapeutic potential as novel bi-functional conjugate platforms for cancer treatment.
    Keywords: medicinal chemistry, organic chemistry, synthetic chemistry
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 7
    Publication Date: 2017-04-06
    Description: Tumour antigens have attracted much attention because of their importance to cancer diagnosis, prognosis and targeted therapy. With the development of cancer genomics, the identification of tumour-specific neoantigens became possible, which is a crucial step for cancer immunotherapy. In this study, we developed software called the tumour-specific neoantigen detector for detecting cancer somatic mutations following the best practices of the genome analysis toolkit and predicting potential tumour-specific neoantigens, which could be either extracellular mutations of membrane proteins or mutated peptides presented by class I major histocompatibility complex molecules. This pipeline was beneficial to the biologist with little programmatic background. We also applied the software to the somatic mutations from the International Cancer Genome Consortium database to predict numerous potential tumour-specific neoantigens. This software is freely available from https://github.com/jiujiezz/tsnad.
    Keywords: genomics, immunology, bioinformatics
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 8
    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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  • 9
    Publication Date: 2018-05-10
    Description: A hollow fibre membrane was fabricated by blending polyvinylidene fluoride (PVDF) with a triblock copolymer additive polymer that has both hydrophilic and oleophobic surface properties. The novel membrane was characterized and examined for oil/water separation under various system conditions, including different cross-flow rate, feed temperature, trans-membrane pressure, and its rejection and cleaning efficiency, etc. By applying the membrane into the filtration of synthesized oil/water emulsion, the membrane constantly achieved an oil rejection rate of above 99%, with a relatively constant permeate flux varied in the range of 68.9–59.0 l m –2 h –1 . More importantly, the fouling of the used membrane can be easily removed by simple water flushing. The membrane also demonstrated a wide adaptability for different types of real oily wastewater, even at very high feed oil concentration (approx. 115 000 mg l –1 in terms of chemical oxygen demand (COM)). Hence, the novel triblock copolymer additive-modified PVDF membrane can have a great prospect in the continuing effort to expand the engineering application of polymeric membranes for oily wastewater treatment.
    Keywords: chemical engineering, environmental engineering
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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  • 10
    Publication Date: 2017-10-05
    Description: The electronic, vibrational and thermoelectric transport characteristics of AgInTe 2 and AgGaTe 2 with chalcopyrite structure have been investigated. The electronic structures are calculated using the density-functional theory within the generalized gradient approximation (GGA) of Perdew–Burke–Ernzerhof functional considering the Hubbard-U exchange correlation. The band-gaps of AgInTe 2 and AgGaTe 2 are much larger than previous standard GGA functional results and agree well with the existing experimental data. The effective mass of the hole and the shape of density of states near the edge of the valence band indicate AgInTe 2 and AgGaTe 2 are considerable p-type thermoelectric materials. An analysis of lattice dynamics shows the low thermal conductivities of AgInTe 2 and AgGaTe 2 . The thermoelectric transport properties' dependence on carrier concentration for p-type AgInTe 2 and AgGaTe 2 in a wide range of temperatures has been studied in detail. The results show that p-type AgInTe 2 and AgGaTe 2 at 800 K can achieve the merit values of 0.91 and 1.38 at about 2.12 x 10 20 cm –3 and 1.97 x 10 20 cm –3 carrier concentrations, respectively. This indicates p-type AgGaTe 2 is a potential thermoelectric material at high temperature.
    Keywords: physical chemistry, solid-state physics, chemical physics
    Electronic ISSN: 2054-5703
    Topics: Natural Sciences in General
    Published by Royal Society
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