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DFT and experimental investigation of a novel 1,2,4-triazole derivative as a corrosion inhibitor for carbon steel A106 G/B in HCl solution
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This work introduces a newly synthesized triazole derivative, 5-([(2-furanyl)methyl]-thiomethyl)-4-(naphtha-2-yl)-3-hydroxyl-4H-1,2,4-triazole (FTNT), as an effective corrosion inhibitor for carbon steel A106 G/B in 0.1 M HCl solution. The structure of the novel derivative was confirmed by FTIR, 1 H NMR, and 13 C NMR spectra. Potentiodynamic polarization measurements reveal that FTNT markedly suppresses corrosion, with inhibition efficiency reaching 81.6% at 600 ppm. Thermodynamic analysis indicates spontaneous, physisorption/chemisorption-augmented adsorption of FTNT on the steel surface, best described by the Freundlich isotherm. Atomic force microscopy (AFM) surface examination demonstrated that a protective FTNT coating precipitated on the metal surface. The experimental findings are corroborated by complementary density functional theory calculations at the B3LYP/6-311++G (d, p) level, which demonstrate advantageous electronic properties and adsorption propensity that are correlated with high inhibitory efficiency. The results provide molecular-level insight into the rational design of triazole-based corrosion inhibitors, and FTNT represents a focused, well-characterized inhibitor with practical potential to reduce carbon steel corrosion in acidic settings.

Publication Date
Thu Jan 01 2015
Journal Name
Journal Of Engineering
Extraction of heavy metals from contaminated soils using EDTA and HCl
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The present study examines the extraction of lead (Pb), cadmium (Cd) and nickel (Ni) from   a contaminated soil by washing process. Ethylenediaminetetraacetic acid disodium salt (Na2EDTA) and hydrochloric acid (HCl) solution were used as extractants.  Soil washing is one of the most suitable in-situ/ ex-situ remediation method in removing heavy metals. Soil was artificially contaminated with 500 mg/kg (Pb , Cd and Ni ).  A set of batch experiments were carried out at different conditions of  extractant concentration , contact time, pH and agitation speed. The results  showed  that the  maximum removal efficiencies  of (Cd, Pb  and Ni ) were (97, 88 and 24 )&nbs

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Publication Date
Mon Apr 01 2019
Journal Name
Applied Water Science
Hydrochemistry as a tool for interpreting brine origin and chemical equilibrium in oilfields: Zubair reservoir southern Iraq case study
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Publication Date
Sat Nov 01 2025
Journal Name
Iop Conference Series: Earth And Environmental Science
Evaluation the Structural Behavior of Lightweight Concrete-Filled Steel Tube Columns: A Review
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Abstract<p>Lightweight concrete-filled tube (CFST) columns offer numerous benefits, such as reduced weight, enhanced resistance to buckling, improved structural performance, and the ability to endure cyclic loading. This study considered key research on the structural behavior of CFST columns, covering various topics, including lightweight concrete, methods of concrete placement within steel tubes, and CFST columns with and without shear connectors. The literature review reveals that while several researchers have explored the use of shear connectors as a load-transfer mechanism in CFST columns, there is no consensus on the design methodology for connector resistance. Shear connectors signifi</p> ... Show More
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Publication Date
Mon Aug 01 2022
Journal Name
Journal Of Molecular Liquids
Study to amino acid-based inhibitors as an effective anti-corrosion material
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The inhibitory behavior of L-Cysteine (Cys) and its derivatives towards iron corrosion through density functional theory (DFT) was investigated. The current research study undertakes a rigorous evaluation of global as well as local reactivity descriptors of the Cys in protonated as well as neutral forms and the changes in reactivity after the combination of Cys into di- and tripeptides. The inhibitory effect of di- and tri-peptides increases since, in the molecular structure, the number of reaction centers increase. We computed the adsorption energies (Eads) and low energy complexes with most stability for the adsorption of small peptides and Cys amino acids onto the surfaces of Fe (1 1 1). We found that the adsorption of tri-peptides onto

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Publication Date
Fri Mar 18 2016
Journal Name
International Journal Of Basic And Applied Sciences
Analytic and numerical solution for duffing equations
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<p>Daftardar Gejji and Hossein Jafari have proposed a new iterative method for solving many of the linear and nonlinear equations namely (DJM). This method proved already the effectiveness in solved many of the ordinary differential equations, partial differential equations and integral equations. The main aim from this paper is to propose the Daftardar-Jafari method (DJM) to solve the Duffing equations and to find the exact solution and numerical solutions. The proposed (DJM) is very effective and reliable, and the solution is obtained in the series form with easily computed components. The software used for the calculations in this study was MATHEMATICA<sup>®</sup> 9.0.</p>

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Publication Date
Wed Jan 01 2020
Journal Name
Plant Archives
A novel finding of il-9 genetic polymorphism (rs17317275) and serum level in rheumatoid arthritis patients infected with CMV
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RA is a complex chronic disease, primarily affects the lining of the synovial joints and can cause progressive disability, premature death, and socioeconomic burdens. The clinical manifestations of symmetrical joint involvement include arthralgia, swelling, redness, and even limiting the range of motion. The pathogenesis is not known therefore the study included Rheumatoid arthritis (RA) is one of systemic inflammatory diseases that characterized by a progressive disabling course. The study included patients suffering from RA and as healthy controls. immunological and genetic factor were evaluated in each subject by using serum level of cytokine and genetic factor. The etiopathology of the disease is not well known for this reason the study

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Publication Date
Wed Aug 30 2023
Journal Name
Al Mustansiriyah Journal Of Pharmaceutical Sciences
Multiple Sclerosis is a Risk Factor for Hyperthyroidism and Interferon Beta Action on Thyroid Hormones via Novel Immuno-neuro-enzymological Mechanisms
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Objective : Multiple sclerosis (MS) is a common neurological disease deeply linked with the immune-inflammatory disorders whereas the term (multiple) mostly refers to the multi-focal zones of Inflammation caused by lymphocytes and macrophages infiltration besides oligodendrocytes death. Accordingly , the dysfunctional immune system able to damage myelin ( a pivotal component of the central nervous system ) which responsible for communication among neurons. The aim of the present study is to innovate a biochemical relationship between MS and thyroid hormones (THs) by highlighting immunological responses and also to examine the action of Interferon beta (IFNβ) drug on thyroid hormone (THs) and thyroid stimulation hormone (TSH). Materials and

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Publication Date
Tue Jun 11 2019
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Investigation of cytotoxic activity and dissolution improvement of Teniposide by incorporation into acid treated carbon nanotube and dispersed by hydrophilic polymer
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Single Walled Carbon nanotubes (SWCNTs), as nano-needle structures, are good candidates as nanocarrier delivery systems that carry drug to the site of action. They are good due to their unique pharmaceutical properties. Teniposide is an anticancer drug, which is widely used, but it has a problem of low solubility. In this study, to improve the properties of carbon nanotubes, pre-functionalization of carbon nanotubes via carboxylation with strong acids has been performed and then functionalized through attaching them to the polymer and copolymer. Concurrently, a proper polymer-copolymer combination has been selected by the UV-Visible spectrometer at 880nm. It is selected based on the qualitative dispersibility analysis, the visual observa

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Publication Date
Wed Mar 30 2022
Journal Name
Nasaq Journal
Lingual Sovereignty: Chinua Achebe’s Novel Things Fall Apart A Postcolonial Study
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The discourse surrounding lingual sovereignty within the African postcolonial context is profoundly intertwined with the fabric of cultural identity and self-determination. Language serves not merely as a conduit for communication but as a repository for a people's collective consciousness, encapsulating their traditions, thoughts, and perspectives. In the realm of postcolonial literature, this dialogue often grapples with the paradox of expressing indigenous narratives through the linguistic tools of former colonizers. Chinua Achebe's seminal work, "Things Fall Apart," exemplifies this conundrum, artfully weaving the orature and culture of Umuofia within the English language. Achebe's choice to write in English—a language imposed upon hi

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Publication Date
Thu May 01 2025
Journal Name
Applied Data Science And Analysis
Strengthening cloud data protection based on a novel cyber security framework
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Cybersecurity involves protecting computer networks, systems, and data from unauthorized access and disruptions using advanced technologies. The purpose of this research is to establish a novel cyber security framework for strengthening cloud data protection. In this paper, we propose a novel Dung Beetle optimization-redefined Intelligent Random Forest (DB-IRF) for accurate detection of intrusions in a cloud environment. We obtained a dataset that includes cloud system logs and network traffic data, including normal and malicious activities, to train our proposed model. We utilized z-score normalization to pre-process the gathered raw data. Our suggested model enhances classification accuracy by integrating DB optimization with the

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