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101.
Haiyang Cui Prof. Dr. Karl-Erich Jaeger Dr. Mehdi D. Davari Prof. Dr. Ulrich Schwaneberg 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(8):2789-2797
The CompassR (computer-assisted recombination) rule enables, among beneficial substitutions, the identification of those that can be recombined in directed evolution. Herein, a recombination strategy is systematically investigated to minimize experimental efforts and maximize possible improvements. In total, 15 beneficial substitutions from Bacillus subtilis lipase A (BSLA), which improves resistance to the organic cosolvent 1,4-dioxane (DOX), were studied to compare two recombination strategies, the two-gene recombination process (2GenReP) and the in silico guided recombination process (InSiReP), employing CompassR. Remarkably, both strategies yielded a highly DOX-resistant variant, M4 (I12R/Y49R/E65H/N98R/K122E/L124K), with up to 14.6-fold improvement after screening of about 270 clones. M4 has a remarkably enhanced resistance in 60 % (v/v) acetone (6.0-fold), 30 % (v/v) ethanol (2.1-fold), and 60 % (v/v) methanol (2.4-fold) compared with wild-type BSLA. Molecular dynamics simulations revealed that attracting water molecules by charged surface substitutions is the main driver for increasing the DOX resistance of BSLA M4. Both strategies and obtained molecular knowledge can likely be used to improve the properties of other enzymes with a similar α/β-hydrolase fold. 相似文献
102.
Majdoub Mohammed Essamlali Younes Amadine Othmane Ganetri Ikram Hafnaoui Anass Khouloud Mehdi Zahouily Mohamed 《Cellulose (London, England)》2021,28(12):7717-7734
Cellulose - A novel, environmentally friendly and simple method for chemical functionalization of microcrystalline cellulose (MCC) to produce organophilic cellulose nanocrystals (CNC-ODA) is herein... 相似文献
103.
An efficient meshfree point collocation moving least squares method to solve the interface problems with nonhomogeneous jump conditions
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Ameneh Taleei Mehdi Dehghan 《Numerical Methods for Partial Differential Equations》2015,31(4):1031-1053
We are going to study a simple and effective method for the numerical solution of the closed interface boundary value problem with both discontinuities in the solution and its derivatives. It uses a strong‐form meshfree method based on the moving least squares (MLS) approximation. In this method, for the solution of elliptic equation, the second‐order derivatives of the shape functions are needed in constructing the global stiffness matrix. It is well‐known that the calculation of full derivatives of the MLS approximation, especially in high dimensions, is quite costly. In the current work, we apply the diffuse derivatives using an efficient technique. In this technique, we calculate the higher‐order derivatives using the approximation of lower‐order derivatives, instead of calculating directly derivatives. This technique can improve the accuracy of meshfree point collocation method for interface problems with nonhomogeneous jump conditions and can efficiently estimate diffuse derivatives of second‐ and higher‐orders using only linear basis functions. To introduce the appropriate discontinuous shape functions in the vicinity of interface, we choose the visibility criterion method that modifies the support of weight function in MLS approximation and leads to an efficient computational procedure for the solution of closed interface problems. The proposed method is applied for elliptic and biharmonic interface problems. For the biharmonic equation, we use a mixed scheme, which replaces this equation by a coupled elliptic system. Also the application of the present method to elasticity equation with discontinuities in the coefficients across a closed interface has been provided. Representative numerical examples demonstrate the accuracy and robustness of the proposed methodology for the closed interface problems. © 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 1031–1053, 2015 相似文献
104.
A novel organic-inorganic hybrid optical sensor (SBA-NCO) was designed and synthesized through immobilization of isocyanatopropyl-triethoxysilane and 1-amino-naphthalene onto the surface of SBA-15 by post-grafting method. The characterization of materials using XRD, TEM, N2 adsorption-desorption, and FT-IR techniques confirmed the successful attachment of organic moieties and preserving original structure of SBA-15 after modification step. Fluorescence experiments demonstrated that SBA-NCO was a highly selective optical sensor for the detection of Fe3+ directly in water over a wide range of metal cations including Na+, Mg2+, Al3+, K+, Ca2+, Cr3+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+, Cd2+, Hg2+, and Pb2+ in a wide pH values. 相似文献
105.
Poly(o‐anisidine) (POA) and poly(o‐anisidine)‐TiO2 (POA‐TiO2) nanocomposite coatings on aluminum alloy 3004 (AA3004) have been investigated by using the galvanostatic method. The electrosynthesized coatings were characterized by FT ‐ IR spectroscopy, XRD, SEM ‐ EDX and SEM. The corrosion protection performance of POA and POA‐TiO2 nanocomposite coatings was investigated in the 3.5% NaCl solution by using potentiodynamic polarization technique and electrochemical impedance spectroscopy. The results show that the corrosion rate of the nanocomposite coatings is about 900 times lower than the bare AA3004 under optimal conditions. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
106.
Saied Ahmadjo Hassan Arabi Gholamhossien Zohuri Mehdi Nekoomanesh Gholamreza Nejabat Seyed Mohammad Mahdi Mortazavi 《Journal of Thermal Analysis and Calorimetry》2014,116(1):417-426
(2-RInd)2ZrCl2 (R:Ph,H) catalyst was supported on MCM-41 and ethylene copolymerization behavior as well as microstructure of copolymers were studied. A steady rate–time profile behavior was observed for homo and copolymerization of ethylene using supported catalysts. It was noticed that increasing the comonomer content can result in lower physical properties. The obtained results indicated that (2-PhInd)2ZrCl2/MCM-41 had higher ability of comonomer incorporation than the non-substituted supported catalysts. The CCC, CCE, and ECC (C: comonomer, E: ethylene) triad sequence distribution in backbone of copolymers were negligible, that means no evidence could be detected for comonomer blocks. The polymer characterization revealed that utilizing 1-octene instead of 1-hexene as the comonomer leads to more heterogeneous distribution of chemical composition. The heterogeneity of the chemical composition distribution and the physical properties were influenced by the type of comonomer and catalyst. (2-PhInd)2ZrCl2/MCM-41 produced copolymers containing narrower distribution of lamellae (0.3–1 nm) than the copolymer produce using Ind2ZrCl2/MCM-41 (0.3–1.6 nm). 相似文献
107.
108.
Thermal conductivity modeling of MgO/EG nanofluids using experimental data and artificial neural network 总被引:1,自引:0,他引:1
Mohammad Hemmat Esfe Seyfolah Saedodin Mehdi Bahiraei Davood Toghraie Omid Mahian Somchai Wongwises 《Journal of Thermal Analysis and Calorimetry》2014,118(1):287-294
The application of nanofluids in energy systems is developing day by day. Before using a nanofluid in an energy system, it is necessary to measure the properties of nanofluids. In this paper, first the results of experiments on the thermal conductivity of MgO/ethylene glycol (EG) nanofluids in a temperature range of 25–55 °C and volume concentrations up to 5 % are presented. Different sizes of MgO nanoparticles are selected to disperse in EG, including 20, 40, 50, and 60 nm. Based on the results, an empirical correlation is presented as a function of temperature, volume fraction, and nanoparticle size. Next, the model of thermal conductivity enhancement in terms of volume fraction, particle size, and temperature was developed via neural network based on the measured data. It is observed that neural network can be used as a powerful tool to predict the thermal conductivity of nanofluids. 相似文献
109.
Amir Beheshti Mehdi Shanbedi Saeed Zeinali Heris 《Journal of Thermal Analysis and Calorimetry》2014,118(3):1451-1460
Power transformers play a key role in power and electrical industries and thus boosting their efficiency is necessary. In this study, the effect of oxidized multi-walled carbon nanotubes on transformer oil thermophysical properties was experimentally investigated. The maximum amount of carbon nanotubes was chosen up to 0.01 mass% to assure the maximum purity of transformer oil. Heat transfer characteristics of transformer oil and nanofluids in two cases of free and forced convection were studied. Breakdown voltage, flash point, pour point, density, electrical and thermal conductivities, viscosity and shear stress, as eight important quality parameters, were determined. According to the experimental results, the Breakdown voltage decreased through concentration increasing. Electrical conductivity is not changed considerable with increasing concentration and temperature. Thermal conductivity of nanofluids and transformer oil changed with increasing temperature and concentration. Furthermore, at all concentrations and temperatures, the viscosity of the nanofluids was lower than that of transformer oil. 相似文献
110.
Mustafa Aghazadeh Mehdi Ghaemi Behrouz Sabour Somayeh Dalvand 《Journal of Solid State Electrochemistry》2014,18(6):1569-1584
Well-dispersed nanoparticles of nickel hydroxide were prepared via a simple electrochemical method. Electrodeposition experiments were performed from 0.005 M Ni(NO3)2 bath at a constant current density of 0.1 mA cm?2 on the steel cathode for 1 h. Recording the potential values during the deposition process revealed that the reduction of water has major role in the base electrogeneration at the applied conditions. The obtained deposit was characterized by the X-ray diffraction (XRD), infrared (IR), differential scanning calorimeter–thermogravimetric analysis, carbon–nitrogen–hydrogen (CHN), scanning electron microscopy (SEM), and transmission electron microscopy (TEM) techniques. The CHN, XRD, and IR analyses showed that the obtained deposit has α phase of Ni(OH)2 with intercalated nitrate ions in its structure. Morphological characterization by SEM and TEM revealed that the prepared α-Ni(OH)2 is composed of well-dispersed ultrafine particles with the size of about 5 nm. The supercapacitive performance of the prepared nanoparticles was analyzed by means of cyclic voltammetry and galvanostatic charge–discharge tests. The electrochemical measurements showed an excellent supercapacitive behavior of the prepared α-Ni(OH)2 nanoparticles. It was also observed that the α-Ni(OH)2 ultrafine particles have better electrochemical characteristic and supercapacitive behavior than β-Ni(OH)2 ultrafine nanoparticles, including less positive charging potential, lower E a???E c value, better reversibility, higher E OER???E a, higher utilization of active material, higher proton diffusion coefficient, greater discharge capacity, and better cyclability. These results make the α-Ni(OH)2 nanoparticles as an excellent candidate for the supercapacitor materials. 相似文献