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211.
Ghorbani Bahram Ebrahimi Armin Skandarzadeh Fatemeh Ziabasharhagh Masoud 《Journal of Thermal Analysis and Calorimetry》2021,145(3):925-953
Journal of Thermal Analysis and Calorimetry - The natural gas entering the liquefaction cycle usually consists of nitrogen, ethane, propane and also heavier hydrocarbons which are economically... 相似文献
212.
To understand how proteins function on a cellular level, it is of paramount importance to understand their structures and dynamics, including the conformational changes they undergo to carry out their function. For the aforementioned reasons, the study of large conformational changes in proteins has been an interest to researchers for years. However, since some proteins experience rapid and transient conformational changes, it is hard to experimentally capture the intermediate structures. Additionally, computational brute force methods are computationally intractable, which makes it impossible to find these pathways which require a search in a high-dimensional, complex space. In our previous work, we implemented a hybrid algorithm that combines Monte-Carlo (MC) sampling and RRT*, a version of the Rapidly Exploring Random Trees (RRT) robotics-based method, to make the conformational exploration more accurate and efficient, and produce smooth conformational pathways. In this work, we integrated the rigidity analysis of proteins into our algorithm to guide the search to explore flexible regions. We demonstrate that rigidity analysis dramatically reduces the run time and accelerates convergence. 相似文献
213.
Biabangard Fatemeh Nazari Hadiseh Arefinia Reza 《Journal of Solid State Electrochemistry》2021,25(3):881-893
Journal of Solid State Electrochemistry - A stable suspension of nanopolyaniline (nPANI) particles can be used in various applications instead of a polyaniline film. The electrochemical behavior of... 相似文献
214.
215.
Iman Jafari Mohamadreza Shakiba Fatemeh Khosravi Seeram Ramakrishna Ehsan Abasi Ying Shen Teo Mohammadreza Kalaee Majid Abdouss Ahmad Ramazani S. A Omid Moradi Erfan Rezvani Ghomi 《Molecules (Basel, Switzerland)》2021,26(6)
The incorporation of nanofillers such as graphene into polymers has shown significant improvements in mechanical characteristics, thermal stability, and conductivity of resulting polymeric nanocomposites. To this aim, the influence of incorporation of graphene nanosheets into ultra-high molecular weight polyethylene (UHMWPE) on the thermal behavior and degradation kinetics of UHMWPE/graphene nanocomposites was investigated. Scanning electron microscopy (SEM) analysis revealed that graphene nanosheets were uniformly spread throughout the UHMWPE’s molecular chains. X-Ray Diffraction (XRD) data posited that the morphology of dispersed graphene sheets in UHMWPE was exfoliated. Non-isothermal differential scanning calorimetry (DSC) studies identified a more pronounced increase in melting temperatures and latent heat of fusions in nanocomposites compared to UHMWPE at lower concentrations of graphene. Thermogravimetric analysis (TGA) and derivative thermogravimetric (DTG) revealed that UHMWPE’s thermal stability has been improved via incorporating graphene nanosheets. Further, degradation kinetics of neat polymer and nanocomposites have been modeled using equations such as Friedman, Ozawa–Flynn–Wall (OFW), Kissinger, and Augis and Bennett’s. The "Model-Fitting Method” showed that the auto-catalytic nth-order mechanism provided a highly consistent and appropriate fit to describe the degradation mechanism of UHMWPE and its graphene nanocomposites. In addition, the calculated activation energy (Ea) of thermal degradation was enhanced by an increase in graphene concentration up to 2.1 wt.%, followed by a decrease in higher graphene content. 相似文献
216.
Rigumula Wu Aruni P. K. K. Karunanayake Mudiyanselage Fatemeh Shafiei Bin Zhao Yousef Bagheri Qikun Yu Kathleen McAuliffe Kewei Ren Mingxu You 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2019,131(50):18439-18443
Precisely determining the intracellular concentrations of metabolites and signaling molecules is critical in studying cell biology. Fluorogenic RNA‐based sensors have emerged to detect various targets in living cells. However, it is still challenging to apply these genetically encoded sensors to quantify the cellular concentrations and distributions of targets. Herein, using a pair of orthogonal fluorogenic RNA aptamers, DNB and Broccoli, we engineered a modular sensor system to apply the DNB‐to‐Broccoli fluorescence ratio to quantify the cell‐to‐cell variations of target concentrations. These ratiometric sensors can be broadly applied for live‐cell imaging and quantification of metabolites, signaling molecules, and other synthetic compounds. 相似文献
217.
Mohammad Ali Kamyabi Fatemeh Soleymani-Bonoti Leila Taheri Ahmad Morsali Hassan Hosseini-Monfared 《应用有机金属化学》2020,34(5):e5562
Oxygen reduction at the polarized water/1,2-dichloroethane (DCE) interface catalyzed by a Cu (II) coordination polymer (Cu–pol) was studied with two lipophilic electron donors ferrocene (Fc) and tetrathiafulvalene (TTF). The results of the ion transfer voltammetry and two-phase shake flask experiments suggest proceeding of the catalytic reaction as proton-coupled electron transfer reduction of oxygen to hydrogen peroxide and water. In this process, while the protons supplied from the aqueous phase, the electrons provided from the organic phase by the weak electron donor, Fc. The O2 molecule takes a superoxide structure with Cu–pol which resulted to hydrogen peroxide or water on reduction. Furthermore, the results revealed that the apparent rate constant of TTF + Cu-pol is higher than that of Fc + Cu-pol system due to the faster kinetic reaction of TTF with respect to Fc. 相似文献
218.
A novel catalytic nanocomposite, MNPs/Hal-POSS-HEMA-Pd, composed of halloysite nanoclay and polyhedral oligomeric silsesquioxane is reported. To synthesize the catalyst, magnetic halloysite was vinyl functionalized and then polymerized with 2-hydroxyethyl methacrylate and methacrylate polyhedral oligomeric silsesquioxane. Afterwards, the latter was palladated to furnish a heterogeneous catalyst with use for catalyzing the reductive degradation of organic dyes, Rhodamine B, and methyl orange with NaBH4. The kinetic and thermodynamic parameters of both reactions were estimated. The results asserted that low content of the catalyst could catalyze the dye reduction reactions to furnish hydrogenated product in quantitative conversion in a very short reaction times (1 min). It is assumed that both halloysite and polyhedral oligomeric silsesquioxane can contribute to the anchoring of Pd nanoparticles. On the other hand, the polymeric network around halloysite can furnish a microenvironment for bringing dyes in the vicinity of active sites. Moreover, unique tubular morphology of halloysite can effectively improve dye adsorption and consequently enhance dye reduction. Additionally, the study of the recyclability of the catalyst approved that it could be magnetically recovered and reused for ten successive reaction runs with trivial leach of Pd (2 wt.%) and decrement of the catalytic activity. 相似文献
219.
Foroutannia Ali Ghasemi Mahdieh Parastesh Fatemeh Jafari Sajad Perc Matjaž 《Nonlinear dynamics》2020,100(3):2699-2714
Nonlinear Dynamics - The brain is a complex system consisting of a large number of interacting neurons. Recently, a simple nonlinear biological model has been proposed for the up and down state... 相似文献
220.
HERAVI Majid M. BEHBAHANI Farahnaz K. OSKOOIE Hossien A. BAMOHARRAM Fatemeh F. 《中国化学》2008,26(12):2150-2154
A simple and efficient method has been developed for the synthesis of β-amino alcohols by ring opening of epoxides in the presence of a catalytic amount of H14[NaP5W29MoO110] at room temperature under solvent-free conditions. The reaction works well for both aromatic and aliphatic amines. 相似文献