Synthesis of tolyl guanidine as copper corrosion inhibitor with a complementary study on electrochemical and in silico evaluation DOI Creative Commons

Moaz M. Abdou,

Mahmoud N. El‐Haddad

Scientific Reports, Journal Year: 2022, Volume and Issue: 12(1)

Published: Sept. 1, 2022

A rapid and new synthetic route for N,N'-di-o-tolyl guanidine (DTG) synthesis from cheap materials is reported. The performance of DTG as an excellent inhibitor delaying copper (Cu) corrosion with efficiency higher than 98% at 20 × 10-6 M in acidic solution was investigated via electrochemical measurements. These measurements included PDP, EFM, EIS spectroscopy. experimental data indicated that has efficient inhibiting effect on the Cu media.The adsorbed to surface chemical adsorption followed Langmuir route. PDP revealed acted a mixed inhibitor. Furthermore, showed through metal/electrolyte interface. This resulted forming protective layer surface, thereby impeding dissolution solution. corrosive containing after immersion specimen 48 h, which promoted formation complex between cation DTG, ultraviolet/visible In addition, confirmed scanning electron microscopy atomic force analysis morphology. Moreover, active centers interaction were silico evaluation DTG.

Language: Английский

Structure–Performance Relationship of Novel Azo-Salicylaldehyde Disperse Dyes: Dyeing Optimization and Theoretical Insights DOI Creative Commons
Walid E. Elgammal, Ali A. Ali, Ahmed E. Hassan

et al.

ACS Omega, Journal Year: 2025, Volume and Issue: 10(7), P. 6876 - 6890

Published: Feb. 4, 2025

High yields of three novel azo disperse dyes based on the diazonium salt sulfonamides-azo-salicylaldehyde were successfully synthesized. These structurally characterized by using spectroscopic techniques, including FTIR, 1H NMR, and MS. The fundamental goal research was to determine optimal dyeing parameters, such as temperature, pH, time, understand behavior dispersed 13–15 during polyester materials. results showed that increasing temperature from 100 130 °C significantly improved dyed polyester's color strength (K/S values). colored samples' hues ranged beige yellowish brown dark due coupler molecules other parameters duration, pH. Moreover, substituents main dye structures investigated studying change in data (CILAB), reflectance, (K/S) evaluations polyester-dyed fabrics. Experimental indicate 15 achieves highest intensity reflectivity, correlating with its narrower band gap enhanced electrophilic/nucleophilic reactivity, revealed DFT TD-DFT calculations. findings highlight relationship between structure performance, demonstrating superior dye–fiber interactions stability contribute performance. synthesized present promising candidates for imparting diverse, stable colors excellent fastness wash, light, crock

Language: Английский

Citations

1
The rise of AI optoelectronic sensors: From nanomaterial synthesis, device design to practical application DOI
Shaohua Zhang, Shanshan Wei, Zeng Liu

et al.

Materials Today Physics, Journal Year: 2022, Volume and Issue: 27, P. 100812 - 100812

Published: Aug. 12, 2022

Language: Английский

Citations

36
Unveiling of novel synthesized coumarin derivative for efficient self-driven hybrid organic/inorganic photodetector applications DOI
Ahmed R. Wassel, Eslam R. El‐Sawy, Ahmed M. El-Mahalawy

et al.

Materials Today Sustainability, Journal Year: 2024, Volume and Issue: 26, P. 100737 - 100737

Published: March 22, 2024

Language: Английский

Citations

5
Design, Synthesis, Computational Investigation, and Technical Evaluation of Disperse Dyes from a Novel Disazo-pyrazolin-5-ones-Based Phenol Scaffold on Polyester Fabrics DOI

Moaz M. Abdou,

Ali A. Ali, H. Abd El‐Wahab

et al.

Fibers and Polymers, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 10, 2024

Language: Английский

Citations

5
Anti-corrosion and anti-microbial evaluation of novel water-soluble bis azo pyrazole derivative for carbon steel pipelines in petroleum industries by experimental and theoretical studies DOI Creative Commons

Emad E. El‐Katori,

Rasha A. El‐Saeed,

Moaz M. Abdou

et al.

Arabian Journal of Chemistry, Journal Year: 2022, Volume and Issue: 15(12), P. 104373 - 104373

Published: Oct. 20, 2022

In this research, we investigated the synthesis of a novel water-soluble bis azo pyrazolin-5-one (ABP) which was synthesized efficiently via regioselective reaction hydrazine with coumarin hydrazone (CMH). Also, evaluate their anti-corrosion and anti-bacterial behavior. The inhibition efficiency ABP in an acidic medium (1.0 M HCl) evaluated using various electrochemical surface morphology measurements. pyrazole-based dye (16 × 10−6 M) demonstrated higher protection capacity (93.3 %). Tafel curves revealed that mixed-type inhibitor. adsorption on C-steel (CS) is proven by alteration (Rct Cdl) impedance characteristics obeyed Langmuir isotherm model. SEM/EDX, AFM, XPS examinations confirmed enhancement adsorbed film protects CS from acid corrosion at appropriate dose. Furthermore, theoretical calculations DFT MC simulations were performed to identify active sites molecules charge CS. metal explained mechanism. Moreover, screened for its antimicrobial activity against sulfate-reducing bacteria (SRB), calculated 100 %. current work presents significant results manufacturing producing derivative high anti-microbial efficiency.

Language: Английский

Citations

22
Optical dispersion and photovoltaic performance of safranin thin films solar cells in hybrid organic-inorganic isotype heterojunction configuration DOI
Reim A. Almotiri, Manal M. Alkhamisi, Ahmed R. Wassel

et al.

Materials Research Bulletin, Journal Year: 2022, Volume and Issue: 151, P. 111824 - 111824

Published: March 15, 2022

Language: Английский

Citations

20
Electrochemical Investigation of C-Steel Corrosion Inhibition, In Silico, and Sulfate-Reducing Bacteria Investigations Using Pyrazole Derivatives DOI Creative Commons
Mahmoud M. Shaban,

N.M. El Basiony,

Ahmed Bahgat Radwan

et al.

ACS Omega, Journal Year: 2023, Volume and Issue: 8(33), P. 30068 - 30080

Published: Aug. 9, 2023

The inhibitory impact of the two synthesized pyrazole derivatives (3 and 4) toward metallic microbial corrosion was investigated. Using open circuit potential, potentiodynamic polarization, electrochemical impedance spectroscopy, it possible to determine their ability prevent C-steel in 1 M HCl, which significantly enhanced with increasing concentration (ex. 93%). They act as mixed-type inhibitors, according polarization curves. compounds under investigation were adsorbed on a surface HCl following Langmuir isotherm model. double-layer capacitance decreased, charge transfer resistance (Rct) raised due examined inhibitors' adsorption. Investigating changes morphology confirming inhibition mechanism are done using scanning electron microscopy. Density functional theory calculations Monte Carlo simulations also conducted show adsorption affinity understudied over steel substrate neutral protonated forms. Furthermore, antimicrobial performance pyrazoles against sulfate-reducing bacteria evaluated, recorded efficiency 100%. current research shows important developments producing highly effective anticorrosion derivatives.

Language: Английский

Citations

12
Novel Coumarin-Substituted Cyclophosphazene as a Fluorescent Probe for Highly Selective Detection of 2,4,6-Trinitrophenol DOI Creative Commons

Ishanki Sharma,

Rajeev K. Sinha, Suranjan Shil

et al.

ACS Omega, Journal Year: 2025, Volume and Issue: 10(6), P. 5312 - 5323

Published: Feb. 3, 2025

Nitroaromatic compounds (NACs) such as 2,4,6-trinitrophenol (TNP), commonly known picric acid (PA), hold widespread application in industries dyestuff production, wood preservation, explosives manufacturing, insect control, and photographic development. In this study, the organic-inorganic hybrid 4,4',4″,4‴,4″″,4‴″-((1,3,5,2λ5,4λ5,6λ5-triazatriphosphinine-2,2,4,4,6,6-hexayl)hexakis(oxy))hexakis(2H-chromen-2-one) (Cpz-4-HC) was synthesized via nucleophilic substitution reaction of 4-hydroxycoumarin (4-HC) with hexachlorocyclotriphosphazene (HCCP). The structure Cpz-4-HC fully characterized by Fourier transform infrared (FT-IR), 1H-, 13C-, 31P NMR, HRMS. is used a chemical fluorescence sensor for detection TNP, K SV value 4.71 × 104 M-1 low limit (LOD) 0.334 ppm over some other analytes 2,4-DNP, 4-NP, 2-NP, 1,3-DNB, 2,4-DNT, 2,6-DNT water. sensing mechanism elucidated through spectral overlap analysis, indicating resonance energy transfer dominant quenching process. Dynamic established lifetime studies, further affirming capability environmental monitoring. Experimental theoretical analyses underscored TNP's strong interaction Cpz-4-HC, corroborating its suitability applications. Their recyclable nature ultrafast response time make them highly suitable detecting even presence interfering nitroaromatics. This study provides novel perspectives on development formulation fluorescent utilizing straightforward synthesis method.

Language: Английский

Citations

0
Spectroscopic and Nonlinear Optical Insights of Picolinaldehyde‐Based Materials: Experimental and DFT Approach DOI

Ume Aiman,

Muhammad Adeel,

Sadia Jamal

et al.

ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(12)

Published: March 1, 2025

Abstract Herein, a series of picolinaldehyde‐based materials ( DMeP‐TFMP ) were synthesized, via the decarboxylative Suzuki coupling reaction using readily accessible 2‐formyl‐6‐pyridinoic acid, to investigate their nonlinear optical (NLO) properties. Various spectroscopic techniques like UV–vis, FT‐IR, ¹H‐NMR, and ¹ 3 C‐NMR employed elucidate molecular structures synthesized chromophores. Further, density functional theory (DFT) time dependent (TD‐DFT) calculations at M06/6‐311G (d,p) level conducted assess frontier orbitals (FMOs), absorption properties, insights. The DMeP displayed minimal band gap (4.390 eV among studied compounds with highest bathochromic shift (340.476 nm). states (DOS) transition matrix (TDM) analyses validated charge transitions from valance conduction band. All exhibited enhanced exciton dissociation rates because low binding energy values E b = 0.525 0.572 ). Furthermore, electron‐hole analysis revealed distribution electron hole densities across different atoms in compounds, indicating significant creation specific atomic sites. notable linear polarizability that is, (⟨α⟩ 2.59 × 10⁻ 2 ‐3.62 esu ), first hyperpolarizability β tot 2.87 ⁰−16.4 ⁰ second γ 1.93 ⁵‐8.44 ⁵ highlighting potential as efficient for advanced NLO applications.

Language: Английский

Citations

0
A comprehensive multispectroscopic and molecular docking studies on the interaction of bioactive coumarins with bovine serum albumin DOI

S. Chandrasekhar,

K. N. N. Prasad,

S. Balasaraswathy

et al.

Journal of Biomolecular Structure and Dynamics, Journal Year: 2025, Volume and Issue: unknown, P. 1 - 12

Published: April 12, 2025

The investigation focused on the interaction between bovine serum albumin (BSA) and biologically active coumarin derivatives 4-(5-amino-[1,3,4]thiadiazol-2-ylsulfanylmethyl)-7-methoxy-chrome-2-one (1) 4-(5-amino-[1,3,4]thiadiazol-2-ylsulfanyl methyl)-7-methyl-chrome-2-one (2). Molecular docking approaches, synchronous fluorescence spectroscopy, UV-Vis circular dichroism (CD) spectra spectroscopy were among multispectroscopic methods used to study BSA derivatives. examined compounds' with yielded a static quenching mechanism for fluorescence. Values binding constant (Kb) (Kq) BSA-coumarin have been calculated using Stern-Volmer equation. A change in tryptophan residue of was seen its surroundings investigations. potential compounds under bind examined, it found that each compound had around one site. According free energy estimate, there is spontaneous very favorable test compounds. Using Forster transfer theory, average distance chemicals found. In conjunction findings CD spectral investigations, shown 2 has higher affinity than 1. studies spectroscopic experimental data are be good agreement. pocket development ligand-protein complex through hydrophobic hydrogen bonding interactions identified by molecular investigation. Furthermore, results Absorption, Distribution, Metabolism, Excretion, Toxicity (ADMET) prediction drug-likeness analysis demonstrated medicinal chemistry characteristics these

Language: Английский

Citations

0