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61.
Mehdi Zamani Hossein A. Dabbagh Hossein Farrokhpour 《International journal of quantum chemistry》2013,113(20):2319-2332
The capability of the B20O30 nanocapsule to store H2, N2, CO, CO2, NH3, CH4, and Cl2 molecules on the outer surface and inside of the cage was investigated using Monte Carlo simulations, long‐range and dispersion corrected density functional theory, and Møller–Plesset second‐order perturbation theory. Also, Monte Carlo simulations were employed to investigate the adsorption behavior of larger number of guest molecules inserted into and onto the larger B80O120 and B20O30@B80O120 cages. Absolute localized molecular orbitals energy decomposition analysis was used to describe the nature of intermolecular interactions in these endohedral and exohedral complexes. It is found that the hydrogen and ammonia gases are diffused to the inside of spherical B20O30 capsule, while other guest molecules prefer to interact with the outer surface of spherical and pyramidal capsules. For B80O120, up to 26 H2 and 11–14 N2, CO, CO2, NH3, and CH4 molecules are stored inside the capsule. The residual molecules are adsorbed on the outer surface of nanocapsule. © 2013 Wiley Periodicals, Inc. 相似文献
62.
Javad Hosseini Mehdi Abdolmaleki Hamid Reza Pouretedal Mohammad Hossein Keshavarz 《催化学报》2015,(7):1029-1034
An electrochemical approach to fabricate a nanostructured Fe/Pt-Fe catalyst through electrodepo-sition followed by galvanic replacement is presented. An Fe/Pt-Fe nanostructured electrode was prepared by deposition of Fe-Zn onto a Fe electrode surface, followed by replacement of the Zn by Pt at open-circuit potential in a Pt-containing alkaline solution. Scanning electron microscopy and energy-dispersive X-ray techniques reveal that the Fe/Pt-Fe electrode is porous and contains Pt. The electrocatalytic activity of the Fe/Pt-Fe electrode for oxidation of methanol was examined by cyclic voltammetry and chronoamperometry. The electrooxidation current on the Fe/Pt-Fe catalyst is much higher than that on flat Pt and smooth Fe catalysts. The onset potential and peak potential on the Fe/Pt-Fe catalyst are more negative than those on flat Pt and smooth Fe electrodes for methanol electrooxidation. All results show that this nanostructured Fe/Pt-Fe electrode is very attractive for integrated fuel cell applications in alkaline media. 相似文献
63.
Saeed Khojaste Effatpanah Mohammad Hossein Ahmadi Seyed Hamid Delbari Giulio Lorenzini 《Entropy (Basel, Switzerland)》2022,24(2)
In recent decades, there has been an increasing trend toward the technical development of efficient energy system assessment tools owing to the growing energy demand and subsequent greenhouse gas emissions. Accordingly, in this paper, a comprehensive emergy-based exergoeconomic (emergoeconomic) method has been developed to study the biomass combustion waste heat recovery organic Rankine cycle (BCWHR-ORC), taking into account thermodynamics, economics, and sustainability aspects. To this end, the system was formulated in Engineering Equation Solver (EES) software, and then the exergy, exergoeconomic, and emergoeconomic analyses were conducted accordingly. The exergy analysis results revealed that the evaporator unit with 55.05 kilowatts and the turbine with 89.57% had the highest exergy destruction rate and exergy efficiency, respectively. Based on the exergoeconomic analysis, the cost per exergy unit , and the cost rate of the output power of the system were calculated to be 24.13 USD/GJ and 14.19 USD/h, respectively. Next, by applying the emergoeconomic approach, the monetary emergy content of the system components and the flows were calculated to evaluate the system’s sustainability. Accordingly, the turbine was found to have the highest monetary emergy rate of capital investment, equal to , and an output power monetary emergy of . Finally, a sensitivity analysis was performed to investigate the system’s overall performance characteristics from an exergoeconomic perspective, regarding the changes in the transformation coefficients (specific monetary emergy). 相似文献
64.
Kobra Mahdavipour Mahshid Khazaei Shadfar Hossein Rangani Jahromi Roberto Morandotti Rosario Lo Franco 《Entropy (Basel, Switzerland)》2022,24(3)
A witness of non-Markovianity based on the Hilbert–Schmidt speed (HSS), a special type of quantum statistical speed, has been recently introduced for low-dimensional quantum systems. Such a non-Markovianity witness is particularly useful, being easily computable since no diagonalization of the system density matrix is required. We investigate the sensitivity of this HSS-based witness to detect non-Markovianity in various high-dimensional and multipartite open quantum systems with finite Hilbert spaces. We find that the time behaviors of the HSS-based witness are always in agreement with those of quantum negativity or quantum correlation measure. These results show that the HSS-based witness is a faithful identifier of the memory effects appearing in the quantum evolution of a high-dimensional system with a finite Hilbert space. 相似文献
65.
Morteza Hosseini Freshteh Khaki Ehsan Shokri Hossein Khabbaz Mehdi Dadmehr Mohammad Reza Ganjali Mina Feizabadi Davood Ajloo 《Journal of fluorescence》2017,27(6):2059-2068
A novel sensitive method for detection of DNA methylation was developed with thioglycollic acid (TGA)-capped CdTe quantum dots (QDs) as fluorescence probes. Recognition of methylated DNA sites would be useful strategy due to the important roles of methylation in disease occurrence and developmental processes. DNA methylation occurs most often at cytosine-guanine sites (CpG dinucleotides) of gene promoters. The QDs significantly interacted with hybridized unmethylated and methylated DNA. The interaction of CpG rich methylated and unmethylated DNA hybrid with quantum dots as an optical probe has been investigated by fluorescence spectroscopy and electrophoresis assay. The fluorescence intensity of QDs was highly dependent to unmethylated and methylated DNA. Specific site of CpG islands of Adenomatous polyposis coli (APC), a well-studied tumor suppressor gene, was used as the detection target. Under optimum conditions, upon the addition of unmethylated dsDNA, the fluorescence intensity increased in linear range from 1.0?×?10??10 to 1.0?×?10??6M with detection limit of 6.2?×?10??11 M and on the other hand, the intensity of QDs showed no changes with addition of methylated dsDNA. We also demonstrated that the unmethylated and methylated DNA and QDs complexes showed different mobility in electrophoresis assay. This easy and reliable method could distinguish between methylated and unmethylated DNA sequences. 相似文献
66.
Ghahraman Solookinejad Amir Sayid Hassan RozatianMohammad Hossein Habibi 《Applied Surface Science》2011,258(1):260-264
Zinc oxide (ZnO) thin film was fabricated by sol-gel spin coating method on glass substrate. X-ray reflectivity (XRR) and its optimization have been used for characterization and extracting physical parameters of the film. Genetic algorithm (GA) has been applied for this optimization process. The model independent information was needed to establish data analyzing process for X-ray reflectivity before optimization process. Independent information was exploited from Fourier transform of Fresnel reflectivity normalized X-ray reflectivity. This Fourier transformation (Auto Correlation Function) yields thickness of each coated layer on substrate. This information is a keynote for constructing optimization process. Specular X-ray reflectivity optimization yields structural parameters such as thickness, roughness of surface and interface and electron density profile of the film. Acceptable agreement exists between results obtained from Fourier transformation and X-ray reflectivity fitting. 相似文献
67.
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69.
Hamed Nosrati Marziyeh Salehiabar Elahe Attari Soodabeh Davaran Hossein Danafar Hamidreza Kheiri Manjili 《应用有机金属化学》2018,32(2)
We report the synthesis of iron oxide magnetic nanoparticles (IONPs) coated with various natural amino acids (AAs) using a one‐pot reaction in an aqueous medium. Several AAs, which contained hydrophilic and hydrophobic groups, were selected to study their effects on size, morphology and toxicity of IONPs. Functionalized IONPs were characterized using X‐ray diffraction, differential scanning calorimetry, thermogravimetric analysis, Fourier transform infrared spectroscopy, and scanning and transmission electron microscopies. Furthermore, vibrating sample magnetometry analysis shows these nanoparticles have excellent magnetic properties. Cellular toxicity of IONPs was also investigated on HFF2 cell lines. The AA‐coated IONPs are non‐toxic and biocompatible. Natural AA‐coated IONPs show a potential for their development in in vitro and in vivo biomedical fields due to their non‐toxicity, good ζ‐potential and related small size and narrow size distribution. 相似文献
70.
Catalytic one‐pot condensation of benzil, aldehyde and ammonium acetate have been successfully carried out using 2‐hydroxyethylammonium formate (HEAF) grafted on a magnetic nanoparticles as a new heterogeneous catalyst. The as‐prepared catalyst was characterized by FT‐IR, TEM, FESEM, VSM, TGA and XRD. This catalyst indicated significant advantages, such as excellent yields, shorter reaction time, reusability of the catalyst and easy workup process. 相似文献