Editorial
Lab-in-Silico Insights
1. Lab-in-Silico Insights

Mahmoud Mirzaei

Volume 2, Issue 1 , Winter 2020, Pages 1-2

http://dx.doi.org/10.33945/SAMI/AJCB.2020.1.1

Abstract
  Recent developments in computer hardware and software, in addition to modern algorithms, have led to new era of scientific laboratories; called Lab-in-Silico. The simulation protocols ...  Read More
Review Article
Aflavinines: History, Biology and Total Synthesis
2. Aflavinines: History, Biology and Total Synthesis

Dirgha Raj Joshi; Nisha Adhikari

Volume 2, Issue 1 , Winter 2020, Pages 3-9

http://dx.doi.org/10.33945/SAMI/AJCB.2020.1.2

Abstract
  This review aims to provide overall aspects of the history, biology, chemistry and the total synthesis of Aflavinines.  The origin of this molecule traced back from the isolation ...  Read More
Original Research Article
Determination of Selenium in Biological Samples by Flame Atomic Absorption Spectrometry after Preconcentration on Modified Polyurethane Foam
3. Determination of Selenium in Biological Samples by Flame Atomic Absorption Spectrometry after Preconcentration on Modified Polyurethane Foam

Mariam Ambarak; Abdelsalam Asweisi

Volume 2, Issue 1 , Winter 2020, Pages 10-17

http://dx.doi.org/10.33945/SAMI/AJCB.2020.1.3

Abstract
  An analytical method has been proposed based on the separation and determination of selenium(IV) ion using polyurethane foam as a solid sorbent coated with ammonium pyrrolidine dithiocarbamate ...  Read More
Original Research Article
Selective Adsorption Function of B16C16 Nano-Cage for H2O, CO, CH4 and NO2
4. Selective Adsorption Function of B16C16 Nano-Cage for H2O, CO, CH4 and NO2

Shaghayegh Ariaei; Hossein Basiri; Mojtaba Ramezani

Volume 2, Issue 1 , Winter 2020, Pages 18-25

http://dx.doi.org/10.33945/SAMI/AJCB.2020.1.4

Abstract
  The interactions between boron carbide (BC) nanocluster of B16C16 and H2O, NO2, CO, and CH4 small molecules were investigated by using density functional theory (DFT) computations to ...  Read More
Original Research Article
Withaferin A (WIT) Interaction with beta–Tubulin to Promote Tubulin Degradation: In Silico Study
5. Withaferin A (WIT) Interaction with beta–Tubulin to Promote Tubulin Degradation: In Silico Study

Mehdi Nabati; Elham Pournamdari; Yahya Dashti-Rahmatabadi; Saman Sarshar

Volume 2, Issue 1 , Winter 2020, Pages 26-32

http://dx.doi.org/10.33945/SAMI/AJCB.2020.1.5

Abstract
  The main purpose of present study is evaluation of structural and medicinal properties for Withaferin A (WIT) using density functional theory (DFT) method. All studies are done via ...  Read More
Original Research Article
Computational Studies of Furanone and its 5Methyl/5Phenyl Derivatives
6. Computational Studies of Furanone and its 5Methyl/5Phenyl Derivatives

Nikoo Ghanbari; Homa Azizian; Mahmoud Mirzaei

Volume 2, Issue 1 , Winter 2020, Pages 33-38

http://dx.doi.org/10.33945/SAMI/AJCB.2020.1.6

Abstract
  The properties for 2(5H)-furanone and 2(5Methyl)- and 2(5Phenyl)-furanone derivatives have been explored by computational chemistry approach. The subatomic unit calculations have been ...  Read More
Original Research Article
Non-Covalent Interactions of N-(4-CarboxyPhenyl)Phthalimide with CNTs
7. Non-Covalent Interactions of N-(4-CarboxyPhenyl)Phthalimide with CNTs

Mehrnoush Molaeian; Asghar Davood; Mahmoud Mirzaei

Volume 2, Issue 1 , Winter 2020, Pages 39-45

http://dx.doi.org/10.33945/SAMI/AJCB.2020.1.7

Abstract
  Non-covalent interactions of N-(4-carboxyphenyl)phthalimide (CPP) with carbon nanotubes (CNTs) have been investigated to see the effects of interactions on the properties of CPP, which ...  Read More