The interaction between nucleotides and carbon nanotubes (CNTs) is a subject
of many investigations for treating diseases but there are many questions in this field that
remain unanswered. Because of experimental methods involve assumptions and
interpretation besides limitations, there are many problems that the best study for them is
using theoretical study. Consequently, theoretical methods have become a competitive
alternative to experiments for biochemical investigations. In order to search about the
response of SWCNTs in binding to DNA, the interaction between 3 different sequences
of B-form single-strand DNA (ssDNA) and outer surface of single-walled carbon
nanotubes (SWCNTs) is considered. So we studied the interaction between (5`-ATC-
3`,5`-TCA-3`,5`-TCG-3`) and SWCNT by using Molecular Mechanic(MM) ,Hartree-
Fock(HF) and Density Functional Theory(DFT,B3LYP) methods in gas phase. The basis
sets used were STO-3G, 6–31G.In current interest, energy, dipole moment, total atomic
charges and NMR parameters calculated to obtain information about the molecular
structures and stability of these combinations. Our results revealed the effect of DNA base
and the sequence of nucleotides on the interaction of DNA/SWCNTs systems. So, we can
predict that diseases with special mutation are the better aim for Gene therapy. Therefore,
the outcome reported in this paper indicates that theoretical data can give us essential
insights into the nature of molecular structures interacted to nanotubes. پرونده مقاله

A new modified magnetic Graphene Oxide with Chitosan and Cysteine was
synthesized for removing Pb2+ ions from aqueous solution. The properties of this
adsorbent were characterized by Field Emission Scanning Electron Microscopy (FESEM),
Vibrating Sample Magnetometer (VSM) and Energy Dispersive Analysis System
of X-ray (EDAX). Physicochemical parameters such as effect of pH, contact time,
adsorbent dosage and initial concentration of Pb 2+ was also studied. The results showed
that the maximum capacity of absorbent in Lead ions adsorption (at Equilibrium
concentration of 120 ppm) occurred at pHOptimum= 5.75, tOptimum= 30 min and
adsorbent 85.4 mg/g dosage=0.1 gr. Maximum empirical adsorption capacity (qmax) was
calculated 85.4 mg/g. The thermodynamic parameters (ΔHᵒ, ΔGᵒ and ΔSᵒ) showed that
the adsorption process of Pb 2+ on modified magnetic Graphene Oxide with Chitosan
and Cysteine was endothermic and spontaneous. Removal percentage was reduced to
15% after five stages of Sorption/desorption studies. So, modified magnetic Graphene
Oxide with Chitosan and Cysteine can be used as a complementary process for removal
of Pb2+ ions from water and wastewater. پرونده مقاله

Supercapacitors have attracted much attention in the field of electrochemical
energy storage. However, material preparation and stability limit their applications in
many fields. Herein, a reduced graphene oxide@phosphorus (rGO@P) electrode was
prepared using a simple inexpensive method. The new graphene structure (rGO@P) was
characterized by X-ray di􀀀raction, Fourier transform infrared spectroscopy, scanning
electron microscopy and Energy-dispersive X-ray spectroscopy.
Electrode showed excellent performances (307 F g−1), which seem to be the highest
among many other rGO@P-based electrodes reported so far. It also has an excellent
cyclic stability up to 95% after 600 consecutive charge/discharge tests. So, the ease of
the synthesis method and excellent performance of the prepared electrode materials mat
have significant potential for energy storage applications. پرونده مقاله