نشریه کاربرد شیمی در محیط زیست
پیاپی 11 (تابستان 1391)

In this research، adsorption capacity of Methylene Blue (MB) onto Nano-TiO2 modified by Salicylic acid from aqueous solutions was investigated in a batch system by considering the effects of various parameters like contact time، adsorbent dosage، pH and initial dye concentration. Optimum conditions for MB adsorption were found to be initial pH≈7، modified Nano-TiO2 dose≈ 0. 4 g and equilibrium time≈ 50 min. The results showed that the increase of initial MB concentration leads to gradual increase of adsorption rate.

Synthesis of chemical compounds using materials which are compatible with environment، non-toxic and safe، is one of the principles of green chemistry. In this paper، all principles of green chemistry with two new methods for green synthesis of titanium dioxide nanoparticles have collected. Titanium dioxide is a photo catalyst which has various applications especially in green chemistry. This paper is about synthesis of TiO nanoparticles first by using Nyctanthes Arbor-Tristis leaves extract and then by a bacteria called Planomicrobium sp.. Then the size and morphology of the synthesized nanoparticles by two methods are compared by their scanning electron microscopic (SEM) images.

In order to study phytochemical characteristics medical plant urtica dioca an experiment is conducted in a completely randomized design in three hydrologic units including Hajylarchay، Kalybarchay and Mardanqm with three regions and each regions with three replications done in growth region Arasbaran in 2013. The highest regions were Hajylarchay and Kalybarchay and lowest region was Mardanqm. The phytochemical characteristics including chlorozhenic acid، chlorozhenic acid + cafeomalic acid were analyzed by HPLC. Results of this study showed that effect of hydrologic on chlorozhenic acid، chlorozhenic acid + cafeomalyic acid was significant at the one percent level. Also effect of region on chlorozhenic acid، chlorozhenic acid + cafeomalyic acid was significant at the one percent level. The highest chlorozhenic acid + cafeomalyic acid was pertinence in hydrologic Kalybarchay and the lowest was pertinency in hydrologic Hajylarchay.

The Arial parts of Salvia Officinalis were collected from Tazekand of Khosroshahr. Essential oils were prepared by Hydro distillation of air-dried plants and analyzed by GC/MS method. Four different kind of essential oil were studied. The dominant constituents of first one were Camphor، 1، 8-cineol and β-thujene. The dominant constituents of second one were β-selinene، Ledene and α-thujene. The dominant constituents of third type were 1، 8-cineol، α-thujene and camphor. The dominant constituents of fourth kind were 1، 8- cineol، camphor and α-thujene.

In this research، adsorption capacity removal of 4-chloro-2-nitrophenol (4C2NP) from aqueous solutions using carbon nanofibers (CNFs) was investigated in a batch system by considering the effects of various parameters like contact time، adsorbent dosage، pH and initial concentration. Optimum conditions for (4C2NP) adsorption were found to be initial pH≈6. 04، nanofiber (CNF) dose≈ 0. 01 g and equilibrium time≈ 2 min. Results show that removal efficiency of the 4C2NP increased by increasing (4C2NP) concentration and decreased by increasing the dosage of CNFs and pH.

In this research, the activity and microstructure of the poly alpha methyl styrene (PAMS) were studied through aliphatic, aromatic carbons and methylene carbon splitting by carbon (13CNMR) nuclear magnetic resonance spectroscopy (NMR) in deuterated chloroform (CDCL3) and deuterated tetra hydro furan (THF-d8).The poly alpha methyl styrene were synthesized by photo polymerization method. Assignments of all stereo sequences at pentad level for aliphatic and aromatic carbons and hexed level for methylene carbon were carried out by liquid nuclear magnetic resonance spectroscopy. Further Morin creases NMR acquisition temperature affects peak splitting of peaks. Bernoullianandfirst-orderMarkovstatisticsmodelswerecalculatedforthe synthesized sample and compared with the experimental results. The Probability of meso addition (Pm) for thepolymersynthesized0.234 was calculated. Bernoullin and first-order Markov statistics models were compared with experimental results hat show the experimental result sare more consistent with the Bernoullin model. Finally it was shown the different deuterated solvent affects peak resolution and splitting of syndiotactic and isotactic sequences.

In this study abinitio calculations is used to determine the location of active ligand. Using the Gaussian 09 software DFT calculations have been carried out on the anti cancer drug methotrexate. Full geometry optimization and calculation of the full theory using B3LYP/6-31G * and B LYP/lanl2dz method and basis set was on methotrexate Interaction The ratio between all parameters such as the difference between energies، geometrical parameters، the Electron on the atoms، the HOMO and LUMO energies and dipole moments are also obtained. HOMO located on the Lglutamate groups and LUMO → HOMO transition، implicated transmission electron density of L glutamate to 2،4-diaminopteridine. Moreover، the orbital significantly overlap in their positions for MTX.

Halloysite is a kaolinite-type aluminosilicate (Al2Si2O5(OH) 4 ·nH2O)clay with 1:1 layer ratio، it has a nano/micro tubular structure and it abundantly is found in nature. Due to various characteristics such as nanoscale lumens، high length-to-diameterratio، relatively low hydroxyl group density on the surface، etc.، numerous exciting applications have been discovered for this unique، cheap andabundantly deposited clay. After a brief summarizing of applications in controlled release، nanotemplating and sorption، we emphasize the applications of HNTs in the fabrication of polymer nanocomposites Conducting polymers have recently become the object of numerous investigations because of their greatpotential in device applications، such astransistors sensors، actuators batteries، and so on. Polyaniline (PANI) is one of the most important conducting polymers due to its high conductivity، ease of preparation، good environmental stability and large variety of application such as electrochromic devices، secondary batteries and catalysis and drug delivery. In the current work، anilline was polymerized on the surface of HNTs by chemical polymerization in the various ratios of weight. By this way، HNT/PANI was obtained and the morphology of these nano composites were compared with each other by SEM technology، also the XRD، FT-IR and UV-Vis spectrums of these nano composites were investigated. Finally، Halloysite nano tubes (HNTs) and its conducting nano composites obtained by HNTs were used as nano-adsorbents for removal of the cationic dye of Malachite Green (MG). The adsorption of the dye was studied with batch experiments. The effect of adsorption time، pH and amount of adsorbent on sorption capacity were studied. Adsorption isotherms such as Feundlich، Langmuir and Temkin were studied on prepared nano composites. Langmuir isotherm exhibited the best fit with the experimental data for most of adsorbents. Also، sorption kinetics was determined by pseudo-second-order and interparticle diffusion models. The adsorption of MG onto adsorbents followed pseudo-second-order and interparticle diffusion kinetics.