Mutations Closer to the Active Site Improve the Promiscuous Aldolase Activity of 4‐Oxalocrotonate Tautomerase More Effectively than Distant Mutations

The enzyme 4‐oxalocrotonate tautomerase (4‐OT), which catalyzes enol–keto tautomerization as part of a degradative pathway for aromatic hydrocarbons, promiscuously catalyzes various carbon–carbon bond‐forming reactions. These include the aldol condensation of acetaldehyde with benzaldehyde to yield cinnamaldehyde. Here, we demonstrate that 4‐OT can be engineered into a more efficient aldolase for this condensation reaction, with a >5000‐fold improvement in catalytic efficiency (k_cat/K_m) and a >10⁷‐fold change in reaction specificity, by exploring small libraries in which only “hotspots” are varied. The hotspots were identified by systematic mutagenesis (covering each residue), followed by a screen for single mutations that give a strong improvement in the desired aldolase activity. All beneficial mutations were near the active site of 4‐OT, thus underpinning the notion that new catalytic activities of a promiscuous enzyme are more effectively enhanced by mutations close to the active site.     

Effect of modified single‐wall carbon nanotubes on mechanical and morphological properties of thermoplastic elastomer nanocomposites based on (polyamide 6)/(acrylonitrile butadiene rubber)

Thermoplastic elastomer nanocomposites based on acrylonitrile butadiene rubber (NBR) and polyamide 6 (PA6), with acid functionalized single‐wall carbon nanotubes (SWNT), were prepared via a direct melt‐mixing process in an internal mixer. The influence of SWNT content (0, 0.5, 1, 1.5) on morphological properties of PA6/NBR with different ratios (80/20, 70/30, 60/40) were then investigated. Characterization of nanocomposites was conducted by using transmission electron microscopy, scanning electron microscopy, differential scanning calorimetry, and mechanical properties. Scanning electron microscopy micrographs proved the droplet‐matrix blend morphology in which the size of NBR droplets decreased as the SWNT loading increased, suggesting dispersion of SWNT in the PA6 phase. It was further proved by transmission electron microscopy images, showing homogenous dispersion of SWNT in the PA6 phase. Differential scanning calorimetry results showed a slightly reduced percentage of crystallinity in samples containing SWNT. The mechanical properties of nanocomposites indicated an enhancement in tensile strength, modulus, and hardness on increasing SWNT content. J. VINYL ADDIT. TECHNOL., 22:336–341, 2016. © 2014 Society of Plastics Engineers     

Cement take estimation using neural networks and statistical analysis in Bakhtiari and Karun 4 dam sites,in south west of Iran

Bulletin of Engineering Geology and the Environment - Water seepage from dam foundations causes reservoir water loss and raises the risk of dam instability. One method of remediation for...     

Synthesis,Characterization, and Investigation of Inhibitor Release of the Anticorrosion Sol–Gel Hybrid Nanocomposite Coatings

Protection of Metals and Physical Chemistry of Surfaces - Corrosion protective coatings were developed on 1050 aluminum alloy through the sol–gel process using...     

Numerical investigation of grooves effects on the thermal performance of helically grooved shell and coil tube heat exchanger

Heat exchangers are integral parts of important industrial units such as petrochemicals, medicine and power plants. Due to the importance of systems energy consumption, different modifications have been applied on heat exchangers in terms of size and structure. In this study, a novel heat exchanger with helically grooved annulus shell and helically coiled tube was investigated by numerical simulation. Helically grooves with the same pitch of the helical coil tube and different depth are created on the inner and outer wall of annulus shell to improve the thermal performance of heat exchanger. In the first section, thermal performance of the shell and coil heat exchanger with the helical grooves on its outer shell wall was compared with same but without helical grooves. At the second section, helically grooves created on both outer and inner wall of the annulus shell with different groove depths. The results showed that the heat exchanger with grooves on both inner and outer shell wall has better thermal performance up to 20% compared to the heat exchanger with grooves on only outer shell wall. The highest thermal performance achieves at lower flow rates and higher groove depths whereas the pressure drop did not increase significantly.     

Fault diagnosis of an automobile cylinder head using low frequency vibrational data

This paper proposes a vibration-based fault-diagnosis method for mechanical parts. This method, after algorithm development, only requires a single inexpensive test to inspect the part which could take as short as half a second. The algorithm is developed in three major stages, (i) exciting specimens without or with known faults using a controlled force and recording acceleration of a single point for a short time (ii) finding a signature for each faulty specimen, using Fourier transform and statistical analysis. (iii) Developing a multi-layer perceptron, as a mathematical model, using the results of stage (ii). The elements of a part signature are the inputs to the model. The location (and possibly size and shape factor) of the fault is model output. Stage (i) can be performed experimentally or alternatively with a validated FEM, one experiment or simulation per specimen. The proposed technique was examined to locate (isolate) a fault on an automobile cylinder head. The presented accuracy is considerable, and the data collected at fairly low frequency range (below 1200 Hz) were found to be sufficient for this technique. In the case study of this paper, possible fault locations are on a line; as a result, fault location has one dimension. It is shown that the technique can be extended to higher dimensions.     

Mechanochemical sulfidization of a mixed oxide-sulphide copper ore by co-grinding with sulfur and its effect on the flotation efficiency

Mechanochemical sulfidization of a mixed sulfide/oxide copper ore by co-grinding with sulfur and additives including Mg(NO₃)₂ and Fe(NO₃)₃ salts and iron, aluminum and magnesium powders was investigated for the first time. Also, the influence of sulfidization during the wet-milling process was examined on the separation efficiency and recovery of copper in detail. The results demonstrated that co-grinding with sulfur solely had the best flotation performance at the value of 0.5 wt.% and it was attributed to the possible existence of S-O bonding on copper oxides surfaces. In addition, adding magnesium nitrate salt, magnesium powder, iron nitrate salt and aluminum powder as additive associated with 0.5 wt% sulfur into ball milling caused the flotation improvement at the amounts of 0.2 wt%, 0.2 wt%, 0.5 wt% and 0.5 wt%, respectively. Also, the effect of grinding time and sulfidization pH with 0.5 wt% sulfur solely was determined and pHs of 7.5 to 8.5 gave the best results. The highest recovery (75.76%) and separation efficiency (63.44%) were achieved at pH of 7.5 and 8.5, respectively.     

Halloysite Nanotubes Modified by Fe3O4 Nanoparticles and Applied as a Natural and Efficient Nanocatalyst for the SymmetricalHantzsch Reaction

Halloysite as an impressive natural eco-friendly nanotube with aluminosilicate structure has been investigated recently due to its unique features such as specific morphology and excellent bio-adaptability. In this research, Fe₃O₄ nanoparticles have been loaded on the tubular halloysite by co-precipitation method in order to synthesis magnetic halloysite (Hal-Fe₃O₄₎. To characterize this recoverable nanocatalyst, applicable analyses such as Fourier-transform infrared (FT-IR) spectroscopy, energy-dispersive X-ray (EDX) analysis, field-emission scanning electron microscopy (FE-SEM) images, X-ray diffraction (XRD) pattern, Thermogravimetric analysis (TGA) and vibrating sample magnetometer (VSM) curves have been carried out. The results confirmed that Fe₃O₄ nanoparticles with cubic structure, and uniform distribution, were located at halloysite nanotubes (HNTs). This aluminosilicate nanocomposite with high thermal stability, crystalline structure, and stable morphology was evaluated as a heterogeneous catalyst in the symmetrical Hantzsch reaction for the first time. Easy synthesis process, green media, high performance, recoverable catalyst and reusing of the Hal-Fe₃O₄ as a nanocatalyst for 8 times are the main features of this protocol.

     

Modelling qualitative and quantitative parameters of groundwater using a new wavelet conjunction heuristic method: wavelet extreme learning machine versus wavelet neural networks

In recent years, as a result of climate change as well as rainfall reduction in arid and semi‐arid regions, modelling qualitative and quantitative parameters belonging to aquifers has become crucially important. In Iran, as aquifers are treated as the most commonly used drinking water resources, modelling their qualitative and quantitative parameters is enormously important. In this paper, for the first time, values of salinity, total dissolved solids (TDS), groundwater level (GWL) and electrical conductivity (EC) of the Arak Plain, located in Markazi Province, Iran, are simulated by means of four modern artificial intelligence models including extreme learning machine (ELM), wavelet extreme learning machine (WELM), online sequential extreme learning machine (OSELM) and wavelet online sequential extreme learning machine (WOSELM) as well as the MODFLOW software for a 15‐year period monthly. To develop the hybrid artificial intelligence models, the wavelet is employed. First, the effective lags in estimating the qualitative and quantitative parameters of the groundwater are identified using the autocorrelation function (ACF) and the partial autocorrelation function (PACF) analysis. After that, four different models are developed by the selected input combinations and also the ACF and the PACF in the form of different lags for each of ELM, WAELM, OSELM and WOSELM methods. Then, the superior models in simulating the groundwater qualitative and qualitative parameters are detected by conducting a sensitivity analysis. To forecast the electrical conductivity (EC) by the best WOSELM model, the values of the Nash–Sutcliffe efficiency coefficient (NSC), Mean Absolute Error (MAE) and the scatter index (SI) are obtained to be 0.991, 18.005 and 4.28E‐03, respectively. In addition, the most effective lags in estimating these parameters are introduced. Subsequently, the results found by the MODFLOW model are compared with those of the artificial intelligence models and it is concluded that the latter are more accurate. For instance, the scatter index and Nash–Sutcliffe efficiency coefficient values calculated by WOSELM for TDS, respectively, are 5.34E‐03 and 0.991. Finally, an uncertainty analysis is conducted to evaluate the performance of different numerical models. For example, MODFLOW has an underestimated performance in simulating the salinity parameter.