Theoretical Approach to Evaluate the Effectiveness of Pyridinium Salts in Preventing Mild Steel Corrosion in Acidic Conditions Shayma M. Ahmad, Mehdi Salih Shihab, Mohammed Mustafa Ahmed, Alaa A. Rashad, Omaymah Alaysuy Al Nahrain Journal of Science, 2025 Pyridinium salts(namely 4-(2-(3-phenylallylidene)hydrazine-1-carbothioamido)-1-propylpyridin-1-ium bromide, A1; 3-(2-(4-(dimethylamino) benzylidene)hydrazine-1-carbothioamido)-1-ethylpyridin-1-ium bromide, A2; 3-(2-(4-(dimethylamino)benzylidene)hydrazine-1-carbothioamido)-1-propylpyridin-1-ium bromide, A3 were successfully prepared in advance, and in this study, they were examined theoretically to determine their effectiveness and efficiency as powerful mild steel corrosion inhibitors. The weight loss method was used to evaluate corrosion inhibition of these salts in 1M H2SO4media which carried out for 24 hours at room temperature. At a variety of pyridinium salt concentrations, the inhibitory efficiency results for all these salts (A1, A2, and A3) were high. The rate of corrosion is known to decrease with increasing inhibitor concentration, while at the same time, surface degree of coverage and inhibition efficiency are rising. The physisorption effects for these prepared compounds (A1, A2, and A3) were indicated by the adsorption results. For the three inhibitors under study, semi-empirical molecular orbital computations and the molecular mechanics approach were used to examine the relationship between experimental and theoretical data. To comprehend the nature of the interaction between the organic inhibitor molecules with the metal surface, theoretical simulations were performed.
Chalcone A Natural Corrosion Inhibitor and Its Role in Promoting Sustainable Development Rajaa Salah Raisan, Mahdi Salih Shihab Iop Conference Series Earth and Environmental Science, 2025 Chalcone is a naturally occurring chemical molecule with antioxidant and anti-inflammatory qualities and a member of the flavonoid family.Recent studies showed the effectiveness of the chalcone in resisting physical and chemical corrosion, as it forms a protective layer that prevents environmental factors that cause corrosion. This article will discuss the use of several methods to prepare chalcone, including natural extraction and laboratory preparation, as well as green synthesis methods to achieve greater environmental sustainability. Highlighting the improvement of metal surface properties and inhibition of electrochemical reactions due to its effective role in the corrosion process, exploring its most important industrial applications such as the protection of pipelines and marine structures. Chalcone is a promising solution to reduce industrial corrosion in environmentally friendly ways.
Synthesis, Design, and Biological Activity of Sustainable Chalcone Derivatives Rajaa Salah Raisan, Mahdi Salih Shihab Iop Conference Series Earth and Environmental Science, 2025 The wide interest in chalcone in recent years and its general impact on all industrial and biological applications has made it a source of interest in several studies, including its wide impact on sustainable development due to its effective chemical structure of the alkene group successively with the carbonyl group in addition to the presence of two aromatic rings. In this study, four chalcone compounds derived from pyridine were prepared by the Claisen condensation reaction. The samples were characterized by FTIR spectroscopy and their physical properties were studied. After preparing the samples, their biological activity as antibacterial agents against Gram-negative bacteria such as E-Coli and Gram-positive bacteria such as Staphylococcus aureus was studied. It was noted that their effect was moderate on bacteria. The samples were tested as antifungal agents using Candida albicans and it was pointed out that their impact was greater on fungi in general and compound R3 in particular because it gave good results compared to the rest of the compounds.
Theoretical Study to Evaluate Experimental Corrosion Inhibition of Ammonium Salt Derivatives for Mild Steel in Acidic Solution Mehdi Salih Shihab, Nasreen Raheem Jber, Mariam Sadoon Mohsin Protection of Metals and Physical Chemistry of Surfaces, 2024 Some new organic triethylammonium salts, with names: triethylammonium 4-((4-(aminomethyl)phenyl)amino)-4-oxobut-2-enoate (B4); triethylammonium5-((4-(aminomethyl)phenyl)amino)-5-oxopentanoate (B5); and triethylammonium 4-((4-(aminomethyl)phenyl)amino)-4-oxobutanoate (B6) were synthesized and identified successfully. They were applied as corrosion organic inhibitors for mild steel in acidic environment. The new organic triethylammonium salts were tested in 1M sulfuric acid for 24 h at room temperature by applying the weight loss measurements. The high efficiency of inhibition values of all triethylammonium salts (B4, B5 & B6) were revealed at the maximum organic triethylammonium salts concentrations. The decreasing of corrosion rates of mild steel were associated with increasing the concentration of organic inhibitors (B4-B6), as well as, the increasing with coverage surface degree. The adsorption free energy values were explained the effects of physisorption for organic salts (B4, B5, and B6). The correlation between experimental results and theoretical data was considered via semi-empirical molecular orbital calculations for the three studied inhibitors. Theoretical calculations were used to understand the nature of interaction among organic corrosion inhibitor molecules and the metal surface of the mild steel.
New organic ammonium salts as corrosion inhibitors for mild steel in saline solution mehdi shihab, muna mahmood Egyptian Journal of Chemistry, 2024 New organic ammonium salts, namely: 4-oxo-4-(2-(pyridin-4-yl)hydrazineyl)but-2-enoate tetraethyl ammonium, B1, 2-(2-(pyridin-4-yl)hydrazine-1-carbonyl)benzoate tetraethyl ammonium, B2, 4-oxo-4-(2-(pyridin-4-yl)hydrazineyl)butanoate tetraethyl ammonium, B3, 5-oxo-5-(2-(pyridin-4-yl)hydrazineyl)pentanoate tetraethyl ammonium, B4, were successfully synthesized and confirmed structures by spectral techniques. The new organic ammonium salts were used for mild steel as a protective corrosion inhibitor. Organic salts were tested with 3.5% saline solution for 24 hours at room temperature and carried out with the method of weight loss. The inhibition efficiency results for organic inhibitors (B1-B4) were increased with increasing the concentrations of organic ammonium salts and that also accompanied with the corrosion rate to be decreased. By increasing the inhibition efficiency, the coverage surface degree factor was increased. The values of thermodynamic parameter (free energy) were predicted the physisorption effect with all organic ammonium salts (B1-B4).
Synthesis of Some Carboxylate Tetraethylammonium Salts as Ionic Liquids , Muna Raad Mahmood, Mehdi Salih Shihab, and Al Nahrain Journal of Science, 2023 Some of organic ammonium salts, namely: 2-((4-carboxyphenyl) carbamoyl) benzoate tetraethylammonium, B1, 4-oxo-4-(pyridin-3-ylamino)-2-butenoate tetraethylammonium, B2, 2-((4-carbamoylphenyl) carbamoyl) benzoate tetraethylammonium, B3, 4-((4-carbamoylphenyl)amino)-4-oxobutanoate tetraethylammonium, B4, are successfully synthesized as ionic liquids. By spectral techniques of FTIR, 1H-NMR and 13C-NMR the structures of organic salts are confirmed. The thermal analysis by differential scanning calorimetry (DSC) has shown the thermal stability of the organic ammonium salts (B1-B4). A high conductivity characteristic as compared with that of NaCl has been detected in the aqueous solution.
Synthesis New Triethylammonium Salts as Corrosion Inhibitors for Mild Steel in 1 M H2SO2 , Mariam S. Muhsin, Mehdi S. Shihab, and Al Nahrain Journal of Science, 2023 Somenewtriethylammoniumsalts,namelytriethylammonium4-(cyclohexyl-amino)-4-oxobut-2-enoate(B1),triethylammonium5-(cyclohexylamino)-5-oxopentanoate(B2),triethylammonium4-(cyclohexylamino)-4-oxobutanoate(B3)weresynthesizedasacorrosioninhibitorformildsteel.Thesesaltscouldtestinonemolaritysulfuricacidatroomtemperaturefor24hoursbyusingweightoflosingmethod.Theresultsrevealedthattheefficiencyofinhibitionofalltriethylammoniumsaltswerehighatthemaximumconcentrationoftriethylammoniumsalt.Theincreaseconcentrationofinhibitorsisassociatedwithdecreasingtherateofcorrosion,buttheincreasingofefficienciesofinhibition,andagreaterdegreeofsurfacecovering.Adsorptionvaluesofthefreeenergywereusedtoillustratetheeffectsofphysisorptionfor(B1,B2,andB3),whichwashelpfulinforecastingthenaturalinteractionbetweenorganiccorrosioninhibitormoleculesandthemetalsurfaceofsteel.
Pyridinium Bromide Derivatives as Corrosion Inhibitors For Mild Steel in 1M H2SO4 Mohammad Ahmed, Mehdi Shihab, Conference Chemistry Egyptian Journal of Chemistry, 2023 In this work, we present a study on the synthesis and characterization of a new series of pyridinium salts, namely 4-(2-((1E,2E)-3-phenylallylidene)hydrazine-1-carbothioamido)-1-propylpyridin-1-ium bromide, P1; (E)-3-(2-(4-(dimethylamino)benzylidene)hydrazine-1-carbothioamido)-1-ethylpyridin-1-ium bromide, P2; (E)-3-(2-(4-(dimethylamino)benzylidene)hydrazine-1-carbothioamido)-1-propylpyridin-1-ium bromide, P3; using spectroscopic techniques such as IR and 1H NMR, as well as the evaluation of their ability to inhibit mild steel corrosion in 1 M H2SO4 at 20 °C using weight loss techniques and scanning electron microscopy. The investigation yielded that the Schiff bases and Pyridinium salts derivatives were successfully synthesized as suggested by the characterization results. In 1 M H2SO4 solution, Pyridinium salts derivatives showed substantial inhibitive activities for mild steel corrosion. Their inhibition efficiencies increased with increasing concentration of inhibitors. The adsorption of the studied compounds on the surface of mild steel follows the Langmuir isotherm model.
Formation, spectral and theoretical studies of 1-(4,4-dimethyl-2,6- dithioxo-1,3,5-triazinan-1-yl)-3-(diethylaminocarbonyl)thiourea Journal of Global Pharma Technology, 2018
Synthesis of Pyridinium Derivatives as Corrosion Inhibitors for Mild Steel in Acidic Solution BWSHBW Hachim, MS Shihab Malaysian Journal of Chemistry , 2026 2026
Theoretical Approach to Evaluate the Effectiveness of Pyridinium Salts in Preventing Mild Steel Corrosion in Acidic Conditions SM Ahmad, MS Shihab, MM Ahmed, AA Rashad, O Alaysuy Al-Nahrain Journal of Science 28 (2), 32-47 , 2025 2025
Azo compounds and their potential applications: article review ZR Al-Majdi, WH Al-Dahhan, MS Shihab, MH Nazari Al-Kitab Journal for Pure Sciences 9 (01), 144-163 , 2025 2025 Citations: 8
Synthesis of Some Tetraethyl Ammonium Salts as New Azo Derivatives to Study Their Biological Activity ZR Al-Majdi, MS Shihab, WH Al-Dahhan 2025 Citations: 1
Theoretical Study to Evaluate Experimental Corrosion Inhibition of Ammonium Salt Derivatives for Mild Steel in Acidic Solution MS Shihab, NR Jber, MS Mohsin Protection of Metals and Physical Chemistry of Surfaces 60 (2), 320-332 , 2024 2024
New organic ammonium salts as corrosion inhibitors for mild steel in saline solution. M Mahmood, M Shihab Egyptian Journal of Chemistry 67 (3), 209-214 , 2024 2024 Citations: 1
Synthesis New Triethylammonium Salts as Corrosion Inhibitors for Mild Steel in 1 M H2SO4 MS Muhsin, MS Shihab Al-Nahrain Journal of Science 26 (2), 6-18 , 2023 2023 Citations: 1
Pyridinium bromide derivatives as corrosion inhibitors for mild steel in 1M H2SO4 MM Ahmed, MS Shihab Egyptian Journal of Chemistry 66 (2), 63-72 , 2023 2023 Citations: 3
Synthesis of Some Carboxylate Tetraethylammonium Salts as Ionic Liquids MR Mahmood, MS Shihab Al-Nahrain Journal of Science 26 (3), 1-5 , 2023 2023
Synthesis and Study Behavior of Some New Pyridinium Salts as Corrosion Inhibitors for Mild Steel in 1M H2SO4 MS Shihab Al-Nahrain Journal of Science 25 (4), 21-31 , 2022 2022
Study of Some Azo Derivatives as Corrosion Inhibitors for Mild Steel in 1 M H 2 SO 4 ZT Khudhair, MS Shihab Surface Engineering and Applied Electrochemistry 58 (6), 708-719 , 2022 2022 Citations: 4
PYRIDYL-1, 2, 4-TRIAZOLE: DESIGN, SYNTHESIS AND CHARACTERIZATION. AD Hammed, NR Jber, MS Shihab Biochemical & Cellular Archives 22 (1) , 2022 2022
Effect of organic and non organic acids on the blend PES/PS/PVDF polymer membranes efficiency for microbial fuel cell ZA Al-Ta, S Allami, MS Shihab Iraqi Journal of Science, 4278-4289 , 2021 2021 Citations: 1
Study new pyridine derivatives as corrosion inhibitors for mild steel in an acidic media R Kareem, MS Shihab Al-Nahrain Journal of Science 24 (3), 1-8 , 2021 2021 Citations: 4
Drugs that Might Be Possibly Used for Treatment of COVID-19 Patients ZT Khudhair, MS Shihab, B Hamah-Ameen Russian Journal of Bioorganic Chemistry 47 (4), 789-804 , 2021 2021 Citations: 2
Synthesis new pyridinium salts as corrosion inhibitors for mild steel in 1 M H2SO4 R Kareem, MS Shihab Al-Nahrain Journal of Science 24 (2), 14-20 , 2021 2021 Citations: 7
Blend modified polymers (polyethersulfone, expandable polystyrene, polyvenylidinefluride) as a membrane for microbial fuel cell ZA Al-Taie, MS Shihab, S Allami Al-Nahrain Journal of Science 24 (2), 9-13 , 2021 2021 Citations: 6
Trials of treatments for COVID-19: Review of drugs are tested MS Shihab Journal of Physics: Conference Series 1664 (1), 012086 , 2020 2020 Citations: 2
Study of Synergistic Effect of Some Pyrazole Derivatives as Corrosion Inhibitors for Mild Steel in 1 M H 2 SO 4 ZT Khudhair, MS Shihab Surface Engineering and Applied Electrochemistry 56 (5), 601-609 , 2020 2020 Citations: 20
Mechanism of corrosion protection in chloride solution by an apple-based green inhibitor: experimental and theoretical studies M Honarvar Nazari, MS Shihab, EA Havens, X Shi Journal of Infrastructure Preservation and Resilience 1 (1), 7 , 2020 2020 Citations: 82
MOST CITED SCHOLAR PUBLICATIONS
Mechanism of corrosion protection in chloride solution by an apple-based green inhibitor: experimental and theoretical studies M Honarvar Nazari, MS Shihab, EA Havens, X Shi Journal of Infrastructure Preservation and Resilience 1 (1), 7 , 2020 2020 Citations: 82
Experimental and theoretical study of [N-substituted] p-aminoazobenzene derivatives as corrosion inhibitors for mild steel in sulfuric acid solution MS Shihab, HH Al-Doori Journal of Molecular Structure 1076, 658-663 , 2014 2014 Citations: 51
Solvent effect on the volume of activation and volume of the Diels–Alder reaction VD Kiselev, AI Konovalov, T Asano, EA Kashaeva, GG Iskhakova, ... Journal of Physical Organic Chemistry 14 (9), 636-643 , 2001 2001 Citations: 49
A peony-leaves-derived liquid corrosion inhibitor: protecting carbon steel from NaCl M Honarvar Nazari, MS Shihab, L Cao, EA Havens, X Shi Green Chemistry Letters and Reviews 10 (4), 359-379 , 2017 2017 Citations: 39
Effects of carbon nanotubes on the physical properties of a nematic liquid crystal N-(4′-methoxybenzylidene)-4-butylaniline NR Jber, AA Rashad, MS Shihab Journal of Molecular Structure 1043, 28-36 , 2013 2013 Citations: 29
Study of Synergistic Effect of Some Pyrazole Derivatives as Corrosion Inhibitors for Mild Steel in 1 M H 2 SO 4 ZT Khudhair, MS Shihab Surface Engineering and Applied Electrochemistry 56 (5), 601-609 , 2020 2020 Citations: 20
Volume, enthalpy and entropy of activation of the Diels-Alder reaction of dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate with 1-hexene MSAIK Vladimir D. Kiselev, Elena A. Kashaeva , Gulnara G. Iskhakova Tetrahedron 55 (41), 12201-12210 , 1999 1999 Citations: 18
Study of Some [N-substituted] p-aminoazobenzene as Corrosion Inhibitors for Mild-Steel in 1M H2SO4 HH Al-Doori, MS Shihab Al-Nahrain Journal of Science 17 (3), 59-68 , 2014 2014 Citations: 17
Experimental and theoretical study of some N-pyridinium salt derivatives as corrosion inhibitors for mild-steel in 1 M H2SO4 MS Shihab, AF Mahmood Portugaliae Electrochimica Acta 35 (6), 39-51 , 2017 2017 Citations: 15
Synthesis, X-Ray diffraction, theoretical and anti-bacterial studies of bis-thiourea secondary amine I Fakhar, NJ Hussien, S Sapari, AH Bloh, SFM Yusoff, SA Hasbullah, ... Journal of Molecular Structure 1159, 96-102 , 2018 2018 Citations: 14
Study of inhibition effect of pyridinium salt derivative on corrosion of C1010 carbon steel in saline solution MS Shihab, MH Nazari, L Fay Protection of Metals and Physical Chemistry of Surfaces 52 (4), 714-720 , 2016 2016 Citations: 13
Synthesis, Characterization, Theoretical Treatment and Antitubercular activity Evaluation of (E)-N’- (2,5-dimethoxylbenzylidene)nicotinohydrazide and some of its Transition … MSSNT Ogunniran Kehinde, Adekoya Joseph, Siyanbola Tolutop, Aladesuyi ... Oriental Journal of Chemistry 32 (1), 413-427 , 2016 2016 Citations: 13
Apparent molar volumes and enthalpies of solution of tetracyanoethylene in some solvents and of butan-1-ol in n-octane at different concentrations MSSAIK Vladimir D. Kiselev , Elena A. Kashaeva Mendeleev Communications 10 (2), 49-51 , 2000 2000 Citations: 13
Experimental and theoretical study of some N -pyridinium salt derivatives as corrosion inhibitors for mild-steel in acidic media MS Shihab, AF Mahmood Russian Journal of Applied Chemistry 89 (3), 505-516 , 2016 2016 Citations: 10
Azo compounds and their potential applications: article review ZR Al-Majdi, WH Al-Dahhan, MS Shihab, MH Nazari Al-Kitab Journal for Pure Sciences 9 (01), 144-163 , 2025 2025 Citations: 8
Diffusion control of the Diels—Alder reaction rate at elevated pressures GGI V. D. Kiselev, E. A. Kashaeva, M. S. Shihab, L. N. Potapova Russian Chemical Bulletin 53 (1), 45-50 , 2004 2004 Citations: 8
Synthesis new pyridinium salts as corrosion inhibitors for mild steel in 1 M H2SO4 R Kareem, MS Shihab Al-Nahrain Journal of Science 24 (2), 14-20 , 2021 2021 Citations: 7
Synthesis of 1, 2, 3-triazoles based on phenacyl azide derivatives via click chemistry R Jwad, A Mohammed, M Shihab Iraqi Journal of Science 53 (3), 487-494 , 2012 2012 Citations: 7
Blend modified polymers (polyethersulfone, expandable polystyrene, polyvenylidinefluride) as a membrane for microbial fuel cell ZA Al-Taie, MS Shihab, S Allami Al-Nahrain Journal of Science 24 (2), 9-13 , 2021 2021 Citations: 6
Experimental and Theoretical Studies of (E)-N'-1-(4- ropylbenzylidene) nicotinohydrazide as Corrosion Inhibitor of Mild Steel in 1 M HCl COEE P. A. L. Anawea, C. U. Obi, S. S. Mehdi, K. O. Ogunniranc, B. I. Ita Protection of Metals and Physical Chemistry of Surfaces 51 (3), 458–466 , 2015 2015 Citations: 6
