DFT Investigation of the Potential of B<Subscript>21</Subscript>N<Subscript>21</Subscript> and Al<Subscript>21</Subscript>P<Subscript>21</Subscript> Nanocages as Anode Electrodes in Metal Ion Batteries

In present paper, the potential of B₂₁N₂₁ and Al₂₁P₂₁ nanocages as anode electrodes of Li-ion, Na-ion and K-ion batteries by using of density functional theory was investigated. The effects of adoption of B₂₁N₂₁ and Al₂₁P₂₁ nanocages with halogen atoms on potential of metal-ion batteries were examined. Results showed that Al₂₁P₂₁ as anode electrode in metal ion batteries has higher potential than B₂₁N₂₁. Results indicated that K-ion battery has higher cell voltage than Li-ion and Na-ion batteries. Results showed that adoption of B₂₁N₂₁ and Al₂₁P₂₁ with halogen atoms increased the cell voltage of metal-ion batteries. Results showed that F-doped metal-ion batteries have higher cell voltage than Cl- and Br-doped metal-ion batteries. It can be concluded that F–Al₂₀P₂₁ as anode electrode in metal-ion battery has higher potential than F–B₂₀N₂₁.     

A signal amplification by QDs used for ferrocene-labeled sandwich aptasensor for determination of Hg2+ in water samples

In this paper, the design of a novel sandwich-type electrochemical aptasensor was reported for an ultrasensitive mercury ion (Hg²⁺) detection in water samples, which labeled with two-labeled aptamer (Apt) sequences. The used Apts were Apt1 and Apt2 as the capture and signal probe, respectively. The Apt1 probe was immobilized on the poly(4-aminobenzoic acid) (p-ABA) and quantum dots (QDs) film as the platform, as well as the Apt2 reporter was labeled with ferrocene. In the presence of Hg²⁺, the strong coordination complex has been formed between the specific thymine of the Apt1, Hg²⁺, as well as the thymine of the Apt as T–Hg²⁺–T adduct. The QDs and p-ABA were applied for increasing the conductivity of platform and suitable binding of the recognition elements. Under the optimized conditions, the constructed aptasensor illustrated either a wide linear relationship between the logarithm of Hg²⁺ concentration and current, from 0.05 to 100 nM and also an excellent low limit of detection of 0.01 nM. The quality of carefully choosing, an excellent stability and specificity sensitivity of the designed aptasensor, was investigated by spiked tap water samples as real sample. Moreover, the aptasensor exhibits the good reproducibility as well as has high selectivity for the other cations. The recoveries of the Hg²⁺ assay of the tap water samples were acquired satisfactorily which imply the generated aptasensor can use Hg²⁺ measurement in the real laboratories.

     

Synthesis of nanomagnetic supported thiourea–copper(I) catalyst and its application in the synthesis of triazoles and benzamides

A novel nanomagnetic supported thiourea–copper(I) complex and inorganic–organic Takemoto‐like hybrid nanomagnetic catalyst was designed, and synthesized. The prepared naomagnetic catalyst was characterized using Fourier transform infrared spectroscopy, X‐ray diffraction, energy‐dispersive X‐ray analysis, transmission and scanning electron microscopies, thermogravimetry, nitrogen adsorption/desorption, zeta potential and vibrating sample magnetometry. Furthermore, the fabricated dual‐role inorganic–organic hybrid catalyst shows a striking and robust catalytic activity for the synthesis of triazoles and benzamides through click and coupling reactions, respectively, under mild and eco‐friendly reaction conditions.     

Pulsating flow in a channel filled with a porous medium under local thermal non-equilibrium condition: an exact solution

Journal of Thermal Analysis and Calorimetry - The present work investigates analytically the problem of forced convection heat transfer of a pulsating flow, in a channel filled with a porous medium...     

Synthesis and characterization of a novel magnetic nano‐palladium Schiff base complex: application in cross‐coupling reactions

A novel and task‐specific nano‐magnetic Schiff base ligand with phosphate spacer using 2‐aminoethyl dihydrogen phosphate instead of usual coating agents, i.e. tetraethoxysilane and 3‐aminopropyltriethoxysilane, for coating of nano‐magnetic Fe₃O₄ is introduced. The nano‐magnetic Schiff base ligand with phosphate spacer as a novel catalyst was synthesized and fully characterized using infrared spectroscopy, X‐ray diffraction, scanning and transmission electron microscopies, thermogravimetry, derivative thermogravimetry, vibrating sample magnetometry, atomic force microscopy, X‐ray photoelectron spectroscopy and energy‐dispersive X‐ray spectroscopy. The resulting task‐specific nano‐magnetic Schiff base ligand with phosphate spacer was successfully employed as a magnetite Pd nanoparticle‐supported catalyst for Sonogashira and Mizoroki–Heck C–C coupling reactions. To the best of our knowledge, this is the first report of the synthesis and applications of magnetic nanoparticles of Fe₃O₄@O₂PO₂(CH₂)₂NH₂ as a suitable spacer for the preparation of a designable Schiff base ligand and its corresponding Pd complex. So the present work can open up a new and promising insight in the course of rational design, synthesis and applications of various task‐specific magnetic nanoparticle complexes. Copyright © 2016 John Wiley & Sons, Ltd.     

The highest background radiation school in the world and the health status of its students and their offspring

Although the average effective human dose from natural background radiation is about 2.4 mSv per year, the students of the Saeid Nafisi school in Ramsar received effective doses of about 250 mSv while studying there for over 5 years. The goal of this project was a retrospective study of the health status of former students of this school and their offspring. The list of the students of the Saeid Nafisi school (high background radiation) and Taleghani and Kashani schools (ordinary background radiation) was provided by the Department of Education. After matching sex, age and socioeconomic level and obtaining their consent, part 1 of the specifically designed questionnaire was filled out by interview, and clinical examinations were recorded in part 2 of the questionnaire by a physician. The data were analysed using Statistical Package for the Social Sciences 16. Our study shows that 88.1 % of general examinations of high background radiation school students were normal as compared with 85.7 % for control group. There were no significant differences. This study is interesting and unique. It reveals that there is no health emergency related to these high radiation doses. We recommend continuing the health supervision of this population in the future.     

DFT Study of Cyanide Oxidation on Ge-Doped Carbon Nanotubes

In recent years, the discovery of efficient catalyst with low price to cyanide (CN) oxidation in normal temperature is a major concern in the industry. In present study, in first step the carbon nanotubes (CNTss) were doped with Ge and the surface of Ge-doped CNTss via O₂ molecule were activated. In second step the CN oxidation on activated Ge-CNTss surface via Langmuir–Hinshelwood (LH) and Eley–Rideal (ER) mechanisms was investigated. Results show that O₂ activated Ge-CNTs surface can oxidize the CN molecule via Ge-CNTs–O–O* + CN → Ge-CNTs–O–O*–CN → Ge-CNTs–O* + OCN and Ge-CNTs–O* + CN → Ge-CNTs + OCN reactions. Results show that CN oxidation on activated Ge-CNTs surface via the LH mechanism has lower energy barrier than ER mechanism. Finally, calculated parameters reveal that activated Ge-CNTss is acceptable catalyst with low price and high performance for CN oxidation in normal temperature.     

Lateral pull-in instability of electrostatic MEMS transducers employing repulsive force

Nonlinear Dynamics - We report on the lateral pull-in in capacitive MEMS transducers that employ a repulsive electrostatic force. The moving element in this system undergoes motion in two...