Volume 3 (2021)
Volume 2 (2020)
Volume 1 (2019)
Number of Articles: 46
1. Manufacturing High Quality Medical Catheters: A Technology Mastered by Few
Volume 1, Issue 1 , Autumn 2019, , Pages 1-2
Abstract
Medical catheters come in a variety of sizes for various applications. From Foley catheter, a flexible tube that a clinician passes through the urethra and into the bladder to drain ... Read More
2. Lab-in-Silico Insights
Volume 2, Issue 1 , Winter 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
3. Drug Discovery: A Non-Expiring Process
Volume 2, Issue 2 , Spring 2020, , Pages 46-47
Abstract
Drug is ”a substance used as a medication or in the preparation of medication” [Merriam-Webster Dictionary]. So many natural and synthetic chemical compounds have been examined ... Read More
4. Antidepressant Activity of Curcumin by Monoamine Oxidase–A Inhibition
Volume 1, Issue 1 , Autumn 2019, , Pages 3-9
Abstract
Antidepressant activity of curcumin (Cur), as a very well–known herbal product, has been investigated within this work. Two tautomeric forms of Cur–a and Cur–b in ... Read More
5. Aflavinines: History, Biology and Total Synthesis
Volume 2, Issue 1 , Winter 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
6. Boron Activity in Metal Containing Materials
Volume 2, Issue 2 , Spring 2020, , Pages 48-54
Abstract
Boron is one of the most popular materials in recent technologies due to its potential to emerge desired technological results. Many attempts have been done to understand the boron ... Read More
7. Alkali Metal Chelation by 3–Hydroxy–4–Pyridinone
Volume 1, Issue 1 , Autumn 2019, , Pages 10-16
Abstract
Chelations of neutral and one–electron positive ionic alkali metals including Lithium (Li/Li+), Sodium (Na/Na+) and Potassium (K/K+) by 3–Hydroxy–4–Pyridinone ... Read More
8. Determination of Selenium in Biological Samples by Flame Atomic Absorption Spectrometry after Preconcentration on Modified Polyurethane Foam
Volume 2, Issue 1 , Winter 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
9. Favipiravir: Structural Analysis and Activity against COVID-19
Volume 2, Issue 2 , Spring 2020, , Pages 55-60
Abstract
Within this work, we have performed an in silico research for structural analysis of Favipiravir and its activity against COVID-19. To this aim, tautomers formations of Favipiravir ... Read More
10. Flavonoid Derivatives for Monoamine Oxidase–A Inhibition
Volume 1, Issue 1 , Autumn 2019, , Pages 17-22
Abstract
The in silico molecular docking (MD) simulations have been performed to examine the efficacy of three flavonoid ligands including chrysin, apigenin and luteolin on monoamine oxidase–A ... Read More
11. Selective Adsorption Function of B16C16 Nano-Cage for H2O, CO, CH4 and NO2
Volume 2, Issue 1 , Winter 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
12. A Novel Variation in Fischer Indole Reaction for Viable and Rapid Synthesis of 1,2,3,4-Tetrahydro-6,8-Dinitro-9H-Carbazole
Volume 2, Issue 2 , Spring 2020, , Pages 61-63
Abstract
A very stimulating variation in Fischer indole reaction by adopting solvent and catalyst free conditions is reported in this work. A concise synthesis of dinitro tetrahydrocarbazole ... Read More
13. Comparative Examination of Moclobemide, Tranylcypromine, Phenelzine and Isocarboxazid for Monoamine Oxidase–A Inhibition
Volume 1, Issue 1 , Autumn 2019, , Pages 23-28
Abstract
The ligand–receptor complex formations between the monoamine oxidase–A (MAO–A) enzyme and its known inhibitors have been examined based on the in silico approach. ... Read More
14. Withaferin A (WIT) Interaction with beta–Tubulin to Promote Tubulin Degradation: In Silico Study
Volume 2, Issue 1 , Winter 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
15. Substitution of Carbonyl Group of Ellagic Acid with Silanediol Group for Better Inhibition of VEGFR-2 Kinase Enzyme
Volume 2, Issue 2 , Spring 2020, , Pages 64-72
Abstract
Evaluating structural and medicinal properties of novel silicon containing molecules of Ellagic acid (EADC) is the main purpose of this work. Density functional theory (DFT) methods ... Read More
16. Adsorptions of Diatomic Gaseous Molecules (H2, N2 and CO) on the Surface of Li+@C16B8P8 Fullerene-Like Nanostructure: Computational Studies
Volume 1, Issue 1 , Autumn 2019, , Pages 29-36
Abstract
Density functional theory (DFT) calculations have been performed to investigate the adsorption of hydrogen (H2), nitrogen (N2) and carbon monoxide (CO) diatomic gaseous molecules at ... Read More
17. Computational Studies of Furanone and its 5Methyl/5Phenyl Derivatives
Volume 2, Issue 1 , Winter 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
18. Electronic Structure Study of the LiBC3 Borocarbide Graphene Material
Volume 1, Issue 1 , Autumn 2019, , Pages 37-41
Abstract
The electronic structure properties of the LiBC3 alloy material, which attracts great interest in both lithium-ion batteries and a possibility to use in medical applications, have been ... Read More
19. Computational Studies of Stability, Reactivity and Degradation Properties of Ephedrine; a Stimulant and Precursor of Illicit Drugs
Volume 2, Issue 2 , Spring 2020, , Pages 73-80
Abstract
Some of the most important properties of ephedrine (EPH) molecule, related to its stability, reactivity and degradation have been computationally addressed in this work. The study has ... Read More
20. Non-Covalent Interactions of N-(4-CarboxyPhenyl)Phthalimide with CNTs
Volume 2, Issue 1 , Winter 2020, , Pages 39-45
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
21. Anti-Bacterial, Anti-Oxidant and Cytotoxic Activities of Nimbin Isolated from African Azadirachta Indica Seed Oil
Volume 2, Issue 2 , Spring 2020, , Pages 81-90
Abstract
Azadirachta indica (neem), belonging to Meliaceae family and native to Asia, has been used therapeutically in traditional Ayurveda, Unani, several local systems within Africa and Chinese ... Read More
22. Molecular Modeling of the Kinetics, Mechanisms and Thermodynamics of the Gas-Phase Thermal Decomposition of O-Isopropyl S-Methyldithiocarbonate
Volume 3, Issue 1 , Winter 2021, , Pages 1-15
Abstract
The gas-phase elimination reaction of O-isopropyl S-methyl dithiocarbonate was studied using density functional theory with a hybrid B3LYP correlation with large 6-31G*, 6-311+G** basis ... Read More
23. Removal of Aqueous Lead and Cadmium using Persea americana Seed Coat: Single and Binary Studies
Volume 3, Issue 1 , Winter 2021, , Pages 16-24
Abstract
The presence of heavy metals in water sources is worrisome because heavy-metal pollutants are associated with severe health problems. The resultant health challenges as a result of ... Read More
24. Role of Microorganisms for Removing Oil Pollution from Water
Volume 3, Issue 1 , Winter 2021, , Pages 25-35
Abstract
< p>This study investigates the role of microorganisms in removing oil pollution from water. The fight against oil pollution since the emergence of this black and precious substance, ... Read More
25. Morphology, Biological Activity, Chemical Composition, and Medicinal Value of Tinospora Cordifolia (willd.) Miers
Volume 3, Issue 1 , Winter 2021, , Pages 36-54