Journal of the Iranian Chemical Research: 4 (3)

Open Access Article

1 - A novel and efficient procedure for the preparation of benzyl alcohol by hydrolysis of benzyl chloride catalyzed by PEG1000-DAIL[BF4]/Fe2(SO4)3 under homogeneous catalysis in aqueous media
Ming Lu Hui Jiang

In this work, benzyl alcohol was obtained in 96% excellent yield by hydrolysis of benzyl chloride catalyzedby the recyclable temperature-dependant phase-separation system that comprised the ionic liquid PEG1000-DAIL[BF4], toluene and ferric sulfate under homogeneous cat More

In this work, benzyl alcohol was obtained in 96% excellent yield by hydrolysis of benzyl chloride catalyzedby the recyclable temperature-dependant phase-separation system that comprised the ionic liquid PEG1000-DAIL[BF4], toluene and ferric sulfate under homogeneous catalysis in aqueous media. This novel methodnot only enhanced the yield, but also made the operating units easy workup. The catalytic system can berecycled or reused without any significant loss of catalytic activity. The mechanism of hydrolysis reactionand the process of catalysis in the thermoregulated ionic liquid bi-phase system were also proposed. Manuscript profile

Open Access Article

2 - SbCl5.SiO2: an reusable lewis acid for one-pot synthesis of 3,4-dihydropyrimidin-2(1H)-ones (thiones)
Bi Bi Fatemeh Mirjalili Esmat Mohammadnejad Abdolhamid Bamoniri

Nano-SbCl5.SiO2 and SbCl5.SiO2 are bench-top catalysts which are reusable, readily available, versatile andefficient for promotion of many acid catalyzed organic reactions. These catalysts do not need specialprecautions for preparation, handling or storage, and they can More

Nano-SbCl5.SiO2 and SbCl5.SiO2 are bench-top catalysts which are reusable, readily available, versatile andefficient for promotion of many acid catalyzed organic reactions. These catalysts do not need specialprecautions for preparation, handling or storage, and they can be stored at an ambient temperature for monthswithout losing their catalytic activity. 4-dihydropyrimidin-2(1H)-ones(thiones) were synthesized in thepresence of Nano-SbCl5.SiO2 or SbCl5.SiO2 as a reusable and efficient catalyst. Manuscript profile

Open Access Article

3 - A theoretical study on interactions between Berberine as an anticancer drug and DNA
Aiyoub Parchehbaf Jadid Leila Zarefatin Leila Javadi

In this study, we present the work on the physicochemical interaction between the anti-cancer alkaloidberberine (BRB) and DNA with the purpose of designing drugs that interact more with DNA. Molecularmodeling on the complex formed between berberine and DNA presented tha More

In this study, we present the work on the physicochemical interaction between the anti-cancer alkaloidberberine (BRB) and DNA with the purpose of designing drugs that interact more with DNA. Molecularmodeling on the complex formed between berberine and DNA presented that this complex was undeniablyfully able of participating in the formation of a stable intercalation site. Besides, the molecular geometries ofberberine and the DNA bases (Adenine, Guanine, Cytosine and Thymine) were optimized with the aid of theB3LYP/6-31G method. This intercalator has a large polarizability and is a good electron acceptor, while basepairs are good electron donors. B3LYP/6-31G stabilization energies of intercalator… DNA base paircomplexes are large (-7.65 kcal/mol for AT···BRB and -3.58 kcal/mol for GC···BRB). It was eventuallyconcluded that the dispersion energy and the electrostatic interaction influenced the stability of theintercalator···DNA base pair complexes. The results exhibited that the BRB changes affected the DNAstructure with reference to the bond length, the bond angle, the torsion angle and the charges. Manuscript profile

Open Access Article

4 - Melamine trisulfonic acid catalyzed regioselective nitration of aromatic compounds under solvent-free conditions
Jalal Albadi Farhad Shirinib Masoumeh Abedini Tayebeh Seiadatnasab

A simple, mild and efficient method for the regioselective nitration of various aromatic compounds usingpoly(4-vinylpyridinium nitrate) (P4VPyN) in the presence of melamine trisulfonic acid (MTSA), is reported.This method provides several advantages such as good selecti More

A simple, mild and efficient method for the regioselective nitration of various aromatic compounds usingpoly(4-vinylpyridinium nitrate) (P4VPyN) in the presence of melamine trisulfonic acid (MTSA), is reported.This method provides several advantages such as good selectiveity between ortho and para positions ofaromatic compounds, clean procedure, simple work-up, short reaction times, solvent-free conditions andhigh yields of products. This methodology is useful for nitration of activated and deactivated aromatic rings. Manuscript profile

Open Access Article

5 - Electropolymerization of 4-aminobenzoic acid containing nano-Au deposited on carbon paste electrode for determination of acetaminophen
Yaping Ding Ying Zhang Liqiang Luo Xiao Liu

The conducting polymer films have been widely applied in the field of electrochemistry owing to their goodstability, permselectivity, unique physical and chemical properties. A novel nano-Au/poly (4-aminobenzoicacid) (PABA) film modified carbon paste electrode was fabri More

The conducting polymer films have been widely applied in the field of electrochemistry owing to their goodstability, permselectivity, unique physical and chemical properties. A novel nano-Au/poly (4-aminobenzoicacid) (PABA) film modified carbon paste electrode was fabricated for sensitive detection of acetaminophenin this paper. The PABA film and nano-Au/PABA film were characterized by scanning electron microscope.The nano-Au/PABA film exhibited obviously catalytic performance to the determination of acetaminophenwith a high sensitivity and a wide linear range. Under optimum conditions (pH, the concentration of 4-aminobenzoic acid, electro-polymerization cycles), linearity between the oxidation peak current and theacetaminophen concentration was obtained in the range of 1.0 × 10–7 – 8.0 × 10–5 mol L-1 with a detectionlimit of 8.0 × 10–8 mol L-1 (S/N = 3). In addition, the nano-Au/PABA film modified electrode wassuccessfully employed to determine the acetaminophen in commercial drugs, and this work has shed somedoubt on the redox mechanism of acetaminophen at the sensor. Manuscript profile

Open Access Article

6 - Oxidative coupling of thiols to disulfides in solution radiation with Trimethylammonium Fluorochromate(VI), [(CH3)3NH[CrO3F], on Silica Gel
Shahriar Ghammamy

A mild and efficient method for the oxidative coupling of thiols by trimethylammonium fluorochromate(TriMFC) in solution is reported. Trimethylammonium fluorochromate is efficient and new reagent, whichprepares easily and oxidizes thiols to the corresponding disulfides More

A mild and efficient method for the oxidative coupling of thiols by trimethylammonium fluorochromate(TriMFC) in solution is reported. Trimethylammonium fluorochromate is efficient and new reagent, whichprepares easily and oxidizes thiols to the corresponding disulfides quickly. The reactions perform cleanly andcontrolled to stop at the disulfide stage without over-oxidation side products. Manuscript profile

Open Access Article

7 - Prediction of toxicity of aliphatic carboxylic acids using adaptive neuro-fuzzy inference system
Vali Zare-Shahabadi

Toxicity of 38 aliphatic carboxylic acids was studied using non-linear quantitative structure-toxicityrelationship (QSTR) models. The adaptive neuro-fuzzy inference system (ANFIS) was used to construct thenonlinear QSTR models in all stages of study. Two ANFIS models we More

Toxicity of 38 aliphatic carboxylic acids was studied using non-linear quantitative structure-toxicityrelationship (QSTR) models. The adaptive neuro-fuzzy inference system (ANFIS) was used to construct thenonlinear QSTR models in all stages of study. Two ANFIS models were developed based upon differentsubsets of descriptors. The first one used log ow K and LUMO E as inputs and had good prediction ability; forthe training set of 28 compounds 2Training R was 0.86 and for the test set of 10 compounds, the correspondingstatistic was 2Test R =0.97. Two outliers were detected for this ANFIS model and removing them improved thequality of the model. Another ANFIS model was constructed based on PEOE_VSA_FPNEG and G3udescriptors chosen by exhaustive search of all two combinations of calculated descriptors by Dragon andMOE softwares. The later ANFIS model showed better performance than the former ( 2Training R =0.92 and2Test R =0.90) and no outlier was detected. Manuscript profile

Open Access Article

8 - Synthesis, Anti-bacterial and Anti-fungal evaluation of 3-(Substitutedphenyl)-N-(4H-1,2,4-triazol-4 yl)acrylamide
Pravinkumar M. Patel Ashvin D. Panchal

The Series of 3-(Substitutedphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide compounds were prepared byreaction of 4-amino-1,2,4-Triazole with Acetyl Chloride followed by Claisen-Schmidt Condensation reactionwith different aromatic aldehydes. The structures of new compounds More

The Series of 3-(Substitutedphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide compounds were prepared byreaction of 4-amino-1,2,4-Triazole with Acetyl Chloride followed by Claisen-Schmidt Condensation reactionwith different aromatic aldehydes. The structures of new compounds were confirmed by IR, 1H-NMR and13C-NMR spectral data. Anti-bacterial and Anti-fungal activities were evaluated and compared with thestandard drugs, some compounds of the series exhibited promising anti-microbial and anti-fungal activitycompared to standard drugs. Manuscript profile

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