A5040870565- Corrosion Behavior and Inhibition
- Synthesis and biological activity
- Concrete Corrosion and Durability
- Synthesis and Characterization of Heterocyclic Compounds
- Hydrogen embrittlement and corrosion behaviors in metals
- Inorganic and Organometallic Chemistry
- Computational Drug Discovery Methods
- Multicomponent Synthesis of Heterocycles
- Thermal and Kinetic Analysis
- Metal complexes synthesis and properties
- Electrochemical Analysis and Applications
- Cholinesterase and Neurodegenerative Diseases
- Nonlinear Optical Materials Research
- Free Radicals and Antioxidants
- Organic Chemistry Cycloaddition Reactions
- DNA and Nucleic Acid Chemistry
- Synthesis and Biological Evaluation
- Machine Learning in Materials Science
- Lanthanide and Transition Metal Complexes
- Synthesis and Reactions of Organic Compounds
- Chemical synthesis and pharmacological studies
- Chemical Thermodynamics and Molecular Structure
- Electrodeposition and Electroless Coatings
- Synthesis of Tetrazole Derivatives
- HIV/AIDS drug development and treatment
Erciyes University
2014-2024
Academy of Sciences of Moldova
1997
Abstract Density functional theory (DFT) at the B3LYP/6‐31G (d,p) and BP86/CEP‐31G* basis set levels ab initio calculations using RHF/6‐31G methods were performed on four sulfonamides (namely sulfaacetamide (SAM), sulfapyridine (SPY), sulfamerazine (SMR), sulfathiazole (STI)) used as corrosion inhibitors for mild steel in acidic medium to determine relationship between molecular structure their inhibition efficiencies (%IE). The order of efficiency obtained was SMR > SPY STI SAM which...
The Density Functional Theory (DFT) and ab initio (HF MP2) calculations were performed on the quinoline molecule (QL) its derivatives, namely quinaldine (QLD) quinaldic acid (QLDA) to investigate their possible role as corrosion inhibitors for mild steel in acidic medium. Calculations done non-protonated protonated forms vacuo water. Some quantum chemical parameters calculated discussed order provide insight into reactivity selectivity of molecules. performance different calculation methods...
The effect of Rhenium (Re) additions (2.4, 3.5, and 6%) to a standard Inconel 718 alloy (IN718) on the uniform pitting corrosion processes IN718 was studied. Measurements were conducted in 1.0M H2SO4 solutions without with 0.1M, 0.3M, or 0.6M NaCl at 25 oC, employing various electrochemical techniques, complemented SEM/EDS AFM examinations. behavior equilibrium (corresponding immersion samples polarization) studied as function composition by monitoring open-circuit potential (OCP), impedance...
In this work, the effects of new compounds, namely, 1-amino-5-(4-methylbenzoyl)-4-(4-methylphenyl) pyrimidin-2 (1H)-thione (AMMP), and 1-(5-(4-Methoxybenzoyl)-4-(4-methoxyphenyl) 2-oxopyrimidin-1 (2H)-yl)-3-phenylthiourea (MMOPH) has been successfully investigated as a corrosion inhibitor for mild steel in 1 M HCl solution. This investigation done by electrochemical techniques (potentiodynamic polarization, impedance spectroscopy), surface characterization (scanning electron microscopy with...
1,3,4-Thiadiazole molecules (1-4) were synthesized by the reaction of phenylthiosemicarbazide and methoxy cinnamic acid in presence phosphorus oxychloride, characterized with UV, FT-IR, 13C-NMR, 1H-NMR methods. DFT calculations (b3lyp/6-311++G(d,p)) performed to investigate structures' geometry physiochemical properties. Their antibacterial activity was screened for various bacteria strains such as Enterobacter aerogenes, Escherichia coli ATCC 13048, Salmonella kentucky, Pseudomonas...
Abstract The corrosion inhibition effects of benzamide (BA) and 4-aminobenzenesulfonamide (ABSA) for copper in 1.0 M hydrochloric acid (HCl) solution were investigated using potentiodynamic polarization, cyclic voltammetry (CV), potentiostatic current-time curves. Langmuir adsorption isotherms the inhibitors used to explain behavior. In addition, surface analysis was scanning electron microscopy (SEM). results showed that efficiency ABSA much better than those BA. theoretical study on...
Three selected amino acids, namely, serine (Ser), threonine (Thr), and glutamine (Glu), were tested as corrosion inhibitors for cold-rolled steel (CRS) in 1.0 M hydrochloric acid (HCl) solutions at different temperatures (283 K to 333 K). Chemical (weight loss) electrochemical (Tafel polarization) methods used this study. Electrochemical frequency modulation (EFM), a non-destructive measurement technique that can directly give values of current without prior knowledge Tafel constants, was...
An examination of quantum chemical and corrosion inhibition studies for three serine (Ser), therionine (Thr) glutamine (Glu) which had been tested as safe inhibitors cold rolled steel (CRS) in 1.0 M HCl solutions at different temperatures (283-333 K) were made to see if any clear links exist between them. The Genetic Function Approximation Method has used QSAR study. correlation efficiency descriptor variables obtained from the calculation using B3LYP/6-311G(d,p), B3LYP/6-311++G(2d,2p),...
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In this study we investigated the structure-activity relationships by using Electron- Topological Method (ETM) for a class of AChE inhibitors related to tacrine (9-amino-1,2,3,4-tetrahydroacridine) and 11 H-Indeno-[1,2-b]-quinolin-10-ylamine that tetracyclic analogues, drug currently in use treatment AD. Molecular fragments being specific active inactive compounds were revealed ETM. The result testing showed high ability ETM predicting activity inactivity series.
Most industries struggle with corrosion. Corrosion inhibitors are needed in these sectors. Eco-friendly corrosion should be effective even at low concentrations. In this work, the compound 2- Fluorophenyl-2, 5- dithiohydrazodicarbonamide (2F-TSC) was utilized as a inhibitor for copper 3.5% NaCl solution. The efficiency calculated by using series of electrochemical methods like, open circuit potential (OCP), potentiodynamic polarization (PDP), and impedance spectroscopy (EIS). All tests have...