Volume 5 (2023)
Volume 4 (2022)
Volume 3 (2021)
Volume 2 (2020)
Volume 1 (2019)
Number of Articles: 7
Lab-in-Silico Insights
Volume 2, Issue 1 , March 2020, Pages 1-2
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
Aflavinines: History, Biology and Total Synthesis
Volume 2, Issue 1 , March 2020, Pages 3-9
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
Determination of Selenium in Biological Samples by Flame Atomic Absorption Spectrometry after Preconcentration on Modified Polyurethane Foam
Volume 2, Issue 1 , March 2020, Pages 10-17
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
Selective Adsorption Function of B16C16 Nano-Cage for H2O, CO, CH4 and NO2
Volume 2, Issue 1 , March 2020, Pages 18-25
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
Withaferin A (WIT) Interaction with beta–Tubulin to Promote Tubulin Degradation: In Silico Study
Volume 2, Issue 1 , March 2020, Pages 26-32
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
Computational Studies of Furanone and its 5Methyl/5Phenyl Derivatives
Volume 2, Issue 1 , March 2020, Pages 33-38
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
Non-Covalent Interactions of N-(4-CarboxyPhenyl)Phthalimide with CNTs
Volume 2, Issue 1 , March 2020, Pages 39-45