In collaboration with Payame Noor University and Iranian Chemical Science and Technologies Association
Volume 10 (2023)
Volume 9 (2022)
Volume 8 (2021)
Volume 7 (2020)
Volume 6 (2019)
Volume 5 (2018)
Volume 4 (2017)
Volume 3 (2016)
Volume 2 (2015)
Volume 1 (2014)
Comparative Analysis of Computational Prediction Methods for Liquid-Liquid Equilibria in Ternary Water-Ethanol-Benzene Mixtures

pouya Es'haghi; Alireza Mohammadi; Keivan Shayesteh; Hassan Seddighi

Volume 11, Issue 1 , March 2024, Pages 1-11

https://doi.org/10.30473/ijac.2024.71186.1296

Abstract
  Ethanol (EtOH) purification is a pivotal research pursuit, with liquid-liquid extraction emerging as a significant purification methodology. This study focuses on utilizing benzene solvent for EtOH purification and investigates the liquid-liquid equilibrium (LLE) within three-component systems comprising ...  Read More

Using Machine Learning Methods to Estimate the Molar Density of Benzene and Comparing the Methods with the Peng-Robinson EOS

Pouya Es'haghi; Keivan Shayesteh; Hassan Seddighi

Volume 11, Issue 1 , March 2024, Pages 12-20

https://doi.org/10.30473/ijac.2024.71138.1295

Abstract
  In chemical industries, precision in calculations and process simulations is crucial. One of the most influential parameters is the molar density of a fluid under various pressure and temperature conditions. Equations of state (EOS) are common among the methods for determining molar density. Usually, ...  Read More

QSAR and Molecular Docking of Echinopsine Derivatives Containing Acylhydrazone Moiety Against Tobacco Mosaic Virus

Nosrat Madadi Mahani; Maryam Bagherizadeh

Volume 11, Issue 1 , March 2024, Pages 21-29

https://doi.org/10.30473/ijac.2024.71494.1298

Abstract
  Tobacco mosaic virus causes great economic damage to tobacco, pepper, cucumber and ornamental flowers all over the world. In the current work, the relationship between the structure and activity of novel series echinopsin derivatives containing acylhydrazone fragments as antiviral activity against tobacco ...  Read More

Adsorptive Removal of Pb(II) Ions by Using Multiwall Carbon Nanotube/ZnCo- Zeolite Imidazole Frameworks: Optimization and Modelling Study

Sayed Zia Mohammadi; Sareh Torabian; Somayeh Tajik

Volume 11, Issue 1 , March 2024, Pages 30-43

https://doi.org/10.30473/ijac.2024.71788.1303

Abstract
  In the present research, an effective adsorbent as titled multiwall carbon nanotube/ZnCo- Zeolite imidazole frameworks (MWC/ZIF) was prepared and used for removal of Pb(II) ion from effluent samples. After separating the adsorbent from the solution, the amount of Pb(II) ion in the solution was measured ...  Read More

Examining the Impact of Variable Selection Methods on Classification Outcomes of BCL-2 and BCL-XL Isoform-Selective Ligands

Marzieh Sadat Neiband

Volume 11, Issue 1 , March 2024, Pages 44-53

https://doi.org/10.30473/ijac.2024.70820.1290

Abstract
  Feature selection is crucial in Quantitative Structure-Activity Relationship (QSAR) studies, enhancing learning algorithms’ performance and reducing computational costs. This study evaluates the impact of eight variable selection methods on the classification of isoform-selective ligands for Bcl-2 ...  Read More

A promising on-off Chemosensor Based on Manganese(II) Complex of a Xanthene Ligand as an Easily Commercially Available Dye for the Detection of Cysteine in Biological Samples

Hossein Tavalali; Hesamadin Haghdan

Volume 11, Issue 1 , March 2024, Pages 54-68

https://doi.org/10.30473/ijac.2024.72220.1306

Abstract
  A novel colorimetric chemosensor for naked-eye detection and determination of Mn2+ and cysteine (Cys) based on indicator displacement assay (IDA) was designed using bromo pyrogallol red (BPR). The indicator exchange occurred between BPR and Cys by the addition of Cys to the Mn(BPR) complex, which is ...  Read More

The Reduction of Nitro Compounds Using Nd2Sn2O7 Nanoceramic

Mostafa Khoshtabkh; Mahdi Nobahari; Seyed Mojtaba Movahedifar; Amin Honarbakhsh; Rahele Zhiani

Volume 11, Issue 1 , March 2024, Pages 69-77

https://doi.org/10.30473/ijac.2024.72054.1304

Abstract
  Nd2Sn2O7 nanoceramic was synthesized using an eco-friendly method with SnCl4•5H2O and Nd(NO3)3•6H2O. Structural analysis confirmed the formation of Nd2Sn2O7 nanoceramic with a size of 20±8 nm. Nd2Sn2O7 was thoroughly characterized using SEM, XRD, TGA, EDX, and TEM techniques. Due to ...  Read More

Zn/La3⁺-Based MOFs: A Novel Approach for Controlled and Sustained Release of Captopril

Maryam Malekzadeh; moghadaseh yahyapour

Volume 11, Issue 1 , March 2024, Pages 78-85

https://doi.org/10.30473/ijac.2024.71778.1302

Abstract
  This study presents the synthesis of Zn/La³⁺-based metal-organic frameworks (MOFs) using a co-precipitation assisted microwave method. Characterization through SEM and TEM revealed uniform nanoparticles around 80 nm. FT-IR spectroscopy confirmed the presence of key functional groups. Dynamic light ...  Read More

Removal of Organic Dyes Using Gd2ZnMnO6/ZnO Ceramic Nanocomposites as a Photocatalysts

Masoud Kouchakzadeh; Amin Honarbakhsh; Seyed Mojtaba Movahedifar; Rahele Zhiani; Farhad Hajian; Seyed Mohsen Sadeghzadeh

Volume 11, Issue 1 , March 2024, Pages 86-94

https://doi.org/10.30473/ijac.2024.72062.1305

Abstract
  The photocatalytic degradation of organic dye residues offers a promising and eco-friendly solution to challenges that endanger living organisms. A highly efficient fibrous nanocatalyst was carefully fabricated, designed, and utilized to remove acid black 1, acid blue 92, acid brown 214, and acid violet ...  Read More

Synthesize and Application of SiO2/CPW Nanocomposite for Removal of Cadmium from Industrial Wastewater

Fatemeh Sabermahani; Iman Aminaei

Volume 11, Issue 1 , March 2024, Pages 95-103

https://doi.org/10.30473/ijac.2024.72409.1309

Abstract
  The coconut peel waste (CPW) was chemically spiked with silica nanoparticles to develop a novel nanocomposite (SiO2/CPW). The new nanocomposite was characterized by FTIR, SEM and Dynamic Light Scattering method. Adsorption of Cd ions onto SiO2/CPW was studied in batch mode as a function of pH, contact ...  Read More