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  1 - Structure-radical scavenging activity relationships of hydroxytoluene derivatives
  Adnan Bekhit Baye Akele Ariaya Hymete
  Research works proposed that radical scavenging activity of flavonoids is due to ring B, andthe remaining part of the molecule can be disregarded. Thus the objective of this work is toobserve whether hydroxytoluenes account the radical scavenging activity of flavonoid a More

  Research works proposed that radical scavenging activity of flavonoids is due to ring B, andthe remaining part of the molecule can be disregarded. Thus the objective of this work is toobserve whether hydroxytoluenes account the radical scavenging activity of flavonoid and toestablish structural requirements for their activity (as they showed appreciable activity) andelucidate a comprehensive mechanism that can explain their activity and termination. Thus, theradical-scavenging activity of nine hydroxytoluene derivatives against 2,2-diphenyl-1-picrylhydrazyl, DPPH was determined. The relative change in energy (ΔHf) associated with theformation of phenolic radicals and the spin distributions in these radicals were determined usingcomputational programs (Density function theory and Hartree Fock). By correlatingexperimental data with ΔHf, the most active compounds and structural features that areresponsible for their activities were identified. Reaction product of 4-methyl catechol with 2,2-diphenyl-1-picrylhydrazyl, DPPH was isolated and characterized in order to unravel themechanism of termination of most active hydroxytoluenes. Termination enthalpy (ΔH2) ofmethyl-catechols and methyl-hydroquinone, once the termination mechanism explained, wascalculated to understand its role in the radical scavenging activity. Manuscript profile
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  2 - Microwave assisted oxidation coupling of thiols to symmetrical disulfides with tripropylammonium fluorochromate (VI) (TPAFC)
  Mohammad Kazem Mohammadi Neda Hasanzadeh Shahriare Ghammamy
  Tripropylammonium fluorochromate(VI) (TPAFC), is an efficient and new reagent, which isprepared easily and oxidizes thiols to the corresponding disulfides, quickly. The reactions areperformed cleanly and are controlled to stop at the disulfide stage, without over-oxidat More

  Tripropylammonium fluorochromate(VI) (TPAFC), is an efficient and new reagent, which isprepared easily and oxidizes thiols to the corresponding disulfides, quickly. The reactions areperformed cleanly and are controlled to stop at the disulfide stage, without over-oxidation andside products. Coupling of thiols to their corresponding disulfides, are studied in solution atroom temperature and in solution under microwave radiation. The easy procedure, simple workup,short reaction times, and excellent yields, are another advantages of this reagent. Manuscript profile
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  3 - Synthesis and characterization of poly (AAm-co-AAc)/NaA nanocomposite and removal of methylene blue with it
  Mojgan Zendehdel Abolfazl Barati Haniyeh Alikhani
  The nanocomposites of poly (Acryl amide-co-Acrylic acid) with different contents of NaAzeolite were prepared using ammonium persulfate as an initiator and N, N′-methylenebisacrylamide as the crosslinker. The morphology was characterized by SEM and the structure of More

  The nanocomposites of poly (Acryl amide-co-Acrylic acid) with different contents of NaAzeolite were prepared using ammonium persulfate as an initiator and N, N′-methylenebisacrylamide as the crosslinker. The morphology was characterized by SEM and the structure ofnanocomposite materials was studied with XRD and FT-IR that showed the interaction betweenporous materials and poly (AAm-co-Aac). The adsorption behaviors of methylene blue wereinvestigated for nanocomposites. It was shown that poly (AAm-co-AAc)/NaA nanocompositeshave higher adsorption than NaA and poly (AAm-co-AAc) alone. This effect was attributed togood interaction between the hydroxyl group in porous materials and carboxylic group in poly(AAm-co-AAc) with methylene blue. Manuscript profile
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  4 - Conductometric study of the complex formation of Rb+, Cs+, NH4 +, K+, Tl+ and Ag+ ions with several crown ethers in acetonitrile-dimethylsulfoxide and acetonitrile-dimethylformamide binary mixtures
  Jahan B. Ghasemi Elaheh Babaee Fakhredin Khavarian
  A conductance study of the interaction between Cs+, Rb+, NH4+, K+, T1+ and Ag+ ions and18-crown-6 (18C6), benzo-18-crown-6 (B18C6), dicyclohexyl-18-crown-6 (DC18C6),dicyclohexyl-24-crown-8 (DC24C8), dibenzo-24-crown-8 (DB24C8) in different binarymixtures of acetonitrile More

  A conductance study of the interaction between Cs+, Rb+, NH4+, K+, T1+ and Ag+ ions and18-crown-6 (18C6), benzo-18-crown-6 (B18C6), dicyclohexyl-18-crown-6 (DC18C6),dicyclohexyl-24-crown-8 (DC24C8), dibenzo-24-crown-8 (DB24C8) in different binarymixtures of acetonitrile (AN) with dimethylsulfoxide (DMSO) and dimethylformamide (DMF)at 25 °C has been carried out. Formation constants of the resulting 1:1 complexes weredetermined from the conductance-mole ratio data and found frequently vary in the orderDC18C6 > 18C6 > B18C6 > DC24C8 > DB24C8 for Rb+ ion and DC18C6 > DC24C8 > 18C6> B18C6 > DB24C8 for NH4+ ion, DC24C8 > DC18C6 > 18C6 > B18C6 ≈ DB24C8 for Cs+ion, DC18C6> DC24C8 > 18C6 > B18C6 > DB24C8 for K+ ion, DC24C8 > DC18C6 > 18C6 > B18C6 >DB24C8 for Tl+ ion and DC24C8 > DC18C6 > 18C6 > DB24C8 > B18C6 for Ag+ ion. It wasfound that the stability of the resulting complexes increased by increasing acetonitrile molefraction in the solvent mixtures. The interactions of the solvent molecules with metal ions andligands show an important role for the complex formation process. Therefore, in addition toinfluences of the solvent, the effects of the number of members in the macrocycle, nature of thesubstituents in the polyether ring and cavity size are discussed. Manuscript profile
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  5 - Conformational behaviors of trans-2,3-bis(methylthio)-1,4-dioxane, -dithiane and –diselenane. A hybrid-DFT study and NBO interpretations
  Davood Nori-Shargh Zahra Mahmoodi Nasrin Masnabadi Hooriye Yahyaei Seiedeh Negar Mousavi
  The conformational behaviors of 2,3-bis(methylthio)-1,4-dioxane (1), 2,3-bis(methylthio)-1,4-dithiane (2) and 2,3-bis(methylthio)-1,4-diselenane (3) have been analyzed by means ofhybrid-density functional theory (B3LYP/Def2-TZVPP) based method and NBO interpretation.B3L More

  The conformational behaviors of 2,3-bis(methylthio)-1,4-dioxane (1), 2,3-bis(methylthio)-1,4-dithiane (2) and 2,3-bis(methylthio)-1,4-diselenane (3) have been analyzed by means ofhybrid-density functional theory (B3LYP/Def2-TZVPP) based method and NBO interpretation.B3LYP/Def2-TZVPP results showed that the axial conformations of compounds 1-3 are morestable than their equatorial conformations. The calculated Gibbs free energy difference (Geq–Gax)values (i.e. ΔGeq-ax) at 298.15 K and 1 atm between the axial and equatorial conformationsdecrease from compound 1 to compound 3. The NBO analysis of donor-acceptor (LP→σ*)interactions showed that the anomeric effects (AE) decrease from compound 1 to compound 3.On the other hand, the calculated dipole moment values between the axial and equatorialconformations [Δ(μeq - μax)] increase from compound 1 to compound 2 but decrease fromcompound 2 to compound 3. However, the variations of the calculated Δ(μeq - μax) values are notin the same trend observed for the corresponding AE and ΔG values. Therefore, the calculatedΔμ values do not seem to be sufficient to account for the axial preferences in compounds 1-3.These findings led to the proposal that the AE, due to donor→acceptor hyperconjugation effect,is more significant for the explanation of the axial conformational preferences of compounds 1-3than the electrostatic effect. Manuscript profile
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  6 - Silica sulfuric acid: an efficient catalyst for the synthesis of substituted indazoles
  Digambar D. Gaikwad Rajendra P. Pawar
  A simple extremely fast and efficient approach for the synthesis of substituted indazole ingood to excellent yield catalyzed by using silica sulfuric acid (SSA) in DMSO solvent at roomtemperature. This is solid state reaction have been attracting the synthetic organic c More

  A simple extremely fast and efficient approach for the synthesis of substituted indazole ingood to excellent yield catalyzed by using silica sulfuric acid (SSA) in DMSO solvent at roomtemperature. This is solid state reaction have been attracting the synthetic organic chemist asthey provided enhance reaction rates, less environmental pollution, greater selectivity, cleanerproducts and manipulative simplicity. Various indazoles are obtained in moderate to excellentyield. Manuscript profile
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  7 - Synthesis and application of chelating resins based on polyacrylonitrilediethylenetriamine for metal ions removal
  Nasser Arsalani Elnaz Ghasemi Roghayeh Rakh Ali Akbar Entezami
  Chelating resins based on polyacrylonitrile and diethylenetriamine (PAN-DTA) wereprepared through the simple reaction of polyacrylonitrile with various volume percents ofdiethylenetriamine (DTA), (25, 50, 75 and 100). The prepared resins were applied to removeheavy meta More

  Chelating resins based on polyacrylonitrile and diethylenetriamine (PAN-DTA) wereprepared through the simple reaction of polyacrylonitrile with various volume percents ofdiethylenetriamine (DTA), (25, 50, 75 and 100). The prepared resins were applied to removeheavy metal ions such as Cu(II), Zn(II) and Cd(II) from aqueous solutions. The sorptionbehaviors of the resins for these metal ions were found to be greater at higher solution pH values.Highest sorption on PAN-DTA was determined as 5 mmol g-1 for Cu(II). The number of aminegroups present in the resin (amine capacity) is depended on the volume percent of DTA and themaximum capacity was obtained 6.25 mmol g-1. The resins and their metal complexes have beenstudied by FT-IR spectroscopy, scanning electronic microscopy (SEM) and thermogravimetryanalysis (TGA). All these analyses methods confirmed the presence of metal in the metal-resincomplexes. Manuscript profile
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  8 - Synthesis of a carbon-14 analogue of N-(aryl-methyl)-3-phenyl-acryl amidine-[carboxy-14C] and its derivatives as NR2B-selective NMDA receptor antagonist
  Nader Saemian Kameh Esmailli Gholamhossein Shirvani Mohsen Javaheri Omid Khalili Arjomandi
  Four amidine NR2B-selective NMDA receptor antagonists, N-( 2-methoxy benzyl) -3-phenyl-acrylamidine, N-[diduterio(2-methoxyphenyl) methyl]-3-phenyl-acrylamidine, N-benzyl-3-phenyl-acryl amidine and N-[diduterio(phenyl)methyl]-3-phenyl-acrylamidine, all fourlabeled with More

  Four amidine NR2B-selective NMDA receptor antagonists, N-( 2-methoxy benzyl) -3-phenyl-acrylamidine, N-[diduterio(2-methoxyphenyl) methyl]-3-phenyl-acrylamidine, N-benzyl-3-phenyl-acryl amidine and N-[diduterio(phenyl)methyl]-3-phenyl-acrylamidine, all fourlabeled with carbon-14 in the 1-position, have been synthesized as part of 5-step sequence fromBa14CO3. Manuscript profile