ALBERT

Description: In experimental investigations on axial symmetry, over-ventilated CH 4 /air diffusion combustion in a packed bed is executed to study the height, shape and stability of the flame. The combustor is a quartz tube packed with alumina pellets in which a cylindrical fuel stream is surrounded by a coflow air nozzle. The results show that the bed length and pellet diameter have a significant influence on the flame properties. In general, the flame above the pellet surface has axial symmetry, and its shape and colour are similar to those of a conventional diffusion flame when the bed length is smaller. The colour of the flame front varies with the bed length. The changed colour indicates an increased flame front temperature and that the combustion regime above the bed surface may change from non-premixed combustion to partially premixed combustion or even premixed combustion owing to the mix and dispersion effect in the packed bed. In addition, multiple flame behaviours, such as an inclined flame front, isolated reaction zone and oscillatory motion followed by a pulsating sound with a few hertz in a packed bed, are observed experimentally. The possible reasons for these phenomena are discussed.

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].

Description: The surface characteristics of fractured specimens are important in hydraulic fracturing laboratory experiments. In this paper, we present a three-dimensional (3D) scanning device assembled to study these surface characteristics. Cube-shaped rock specimens were produced in the laboratory and subjected to triaxial loading until the specimen split in two in a hydraulic fracturing experiment. Each fractured specimen was placed on a rotating platform and scanned to produce 3D superficial coordinates of the surface of the fractured specimen. The scanned data were processed to produce high-precision digital images of the fractured model, a surface contour map and accurate values of the superficial area and specimen volume. The images produced by processing the 3D scanner data provided detailed information on the morphology of the fractured surface and mechanism of fracture propagation. High-precision 3D mapping of the fractured surfaces is essential for quantitative analysis of fractured specimens. The 3D scanning technology presented here is an important tool for the study of fracture characteristics in hydraulic fracturing experiments.

Description: Daphnetin (7,8-dihydroxycoumarin (7,8-DHC)) and its C-4 derivatives have multiple pharmacological activities, but the poor metabolic stability of these catechols has severely restricted their application in the clinic. Methylation plays important roles in catechol elimination, although thus far the effects of structural modifications on the metabolic selectivity and the catalytic efficacy of human catechol- O -methyltransferase (COMT) remain unclear. This study was aimed at exploring the structure–methylation relationship of daphnetin and its C-4 derivatives, including 4-methyl, 4-phenyl and 4-acetic acid daphnetin. It was achieved by identifying the methylated products generated and by careful characterization of the reaction kinetics. These catechols are selectively metabolized to the corresponding 8- O -methyl conjugates, and this regioselective methylation could be elucidated by flexible docking, in which all the 8-OH groups of these catechols are much closer than the 7-OH groups to catalytic residue LYS144 and methyl donor AdoMet. The results of the kinetic analyses revealed that the Cl int values of the compounds could be strongly affected by the C-4 substitutions, which could be partially explained by the electronic effects of the C-4 substituents and the coordination modes of 7,8- dihydroxycoumarins in the active site of COMT. These findings provide helpful guidance for further structural modification of 7,8-DHCs to improve metabolic stability.

Description: The present study introduces thermogravimetry with gas chromatography–mass spectrometry (TG-GC-MS) at four different heating rates to investigate the activation energy and thermal degradation behaviour of walnut shell pyrolysis. The distributed activation energy model (DAEM) was applied to investigate the activation energy. According to values of the activation energy and the correlation coefficient by the DAEM, the activation energy (98.69–267.75 kJ mol –1 ) and correlation coefficient (0.914–0.999) were determined for pyrolysis of walnut shells. GC-MS was performed to investigate the pyrolysis products from walnut shells at different critical temperature points. More than 20 different substances were identified at different temperatures from GC-MS results. With the increasing pyrolysis temperature, furan, furfural, benzene and long chain alkanes were successively identified in different GC-MS experimental results.

Description: Cerebral aneurysms affect a significant portion of the adult population worldwide. Despite significant progress, the development of robust techniques to evaluate the risk of aneurysm rupture remains a critical challenge. We hypothesize that vertebral artery fusiform aneurysm (VAFA) morphology may be predictive of rupture risk and can serve as a deciding factor in clinical management. To investigate the VAFA morphology, we use a combination of image analysis and machine learning techniques to study a geometric feature set computed from a depository of 37 (12 ruptured and 25 un-ruptured) aneurysm images. Of the 571 unique features we compute, we distinguish five features for use by our machine learning classification algorithm by an analysis of statistical significance. These machine learning methods achieve state-of-the-art classification performance (81.43 ± 13.08%) for the VAFA morphology, and identify five features (cross-sectional area change of aneurysm, maximum diameter of nearby distal vessel, solidity of aneurysm, maximum curvature of nearby distal vessel, and ratio of curvature between aneurysm and its nearby proximal vessel) as effective predictors of VAFA rupture risk. These results suggest that the geometric features of VAFA morphology may serve as useful non-invasive indicators for the prediction of aneurysm rupture risk in surgical settings.

Description: In order to figure out the decomposition of muscovite and the release mechanism of vanadium from vanadium shale in the alkaline fusion process, the process of vanadium release and roasting kinetics by alkaline fusion was studied. It was found that the addition of sodium hydroxide made the muscovite convert into the sodium silicate and gehlenite. This process promoted the dissolution of silicon and the destruction of muscovite, which could facilitate the release of vanadium. The kinetic analysis indicated that the controlling step of vanadium transformation reaction is changed from chemical reaction control to diffusion control with the increase of roasting time. Compared to the diffusion controlling step, the vanadium related chemical reaction was completed in the first period. The alkaline fusion reaction enhanced the decomposition of muscovite, which could accelerate the release of vanadium and reduce the dependence on high temperature and time in the roasting process. The apparent activation energies of chemical reaction control and diffusion control were 42.24 kJ mol –1 and –9.553 kJ mol –1 , respectively. The kinetic model of vanadium extraction from vanadium shale using alkaline fusion could be finally established.

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.

Description: The deformation and fracture characteristics of shale in the Changning-Xingwen region were experimentally studied under triaxial cyclic loading with a controlled pore-water pressure. An RLW-2000M microcomputer-controlled coal-rock rheometer was used in the State key Laboratory of coal mine disaster dynamics and control in Chongqing University. These experimental results have indicated the following. (i) The shale softened after being saturated with water, while its failure strength decreased with the increase of axial strain. (ii) A complete cyclic loading–unloading process can be divided into four stages under the coupling action of axial cyclic loading and pore-water pressure; namely the slow or accelerated increasing of strain in the loading stage, and the slow or accelerated decreasing of strain in the unloading stage. (iii) The axial plastic deformation characteristics were similar when pore-water pressures were set to 2, 6 and 10 MPa. Nevertheless, the shale softened ostensibly and fatigue damage occurred during the circulation process when the pore-water pressure was set to 14 MPa. (iv) It has been observed that the mean strain and strain amplitude under axial cyclic are positively correlated with pore-water pressure, while the elastic modulus is negatively correlated with pore-water pressure. As the cycle progresses, the trends in these parameters vary, which indicates that the deformation and elastic characteristics of shale are controlled by pore-water pressure and cyclic loading conditions. (v) Evidenced via triaxial compression tests, it was predominantly shear failure that occurred in the shale specimens. In addition, axial cyclic loading caused the shale to generate complex secondary fractures, resulting in the specimens cracking along the bedding plane due to the effect of pore-water pressure. This study provides valuable insight into the understanding of the deformation and failure mechanisms of shale under complicated stress conditions.

Description: In this study, a facile and versatile urea-assisted approach was proposed to synthesize Chinese rose-like NiO, pinecone-like ZnO and sponge-like CoO adsorbents. The presence of urea during syntheses endowed these adsorbents with high concentration of surface hydroxyl groups, which was estimated as 1.83, 1.32 and 4.19 mmol [OH – ] g –1 for NiO, ZnO and CoO adsorbents, respectively. These surface hydroxyl groups would facilitate the adsorption of Cr( vi ) species (e.g. HCrO 4 – , Cr 2 O 7 2– and CrO 4 2– ) from wastewater by exchanging with hydroxyl protons or hydroxide ions, and hence result in extremely high maximum adsorbed amounts of Cr( vi ), being 2974, 14 256 and 408 mg g –1 for NiO, ZnO and CoO adsorbents in the pH range of 5.02–5.66 at 298 K, respectively. More strikingly, the maximum adsorbed amounts of Cr( vi ) would be greatly enhanced as the adsorbing temperature is increased, and even amount to 23 411 mg g –1 for ZnO adsorbents at 323 K. Based on the kinetics and equilibrium studies of adsorptive removal of Cr( vi ) from wastewater, our synthetic route will greatly improve the adsorptivity of the as-synthesized metal-oxide adsorbents, and hence it will shed new light on the development of high-performance adsorbents.