Pub Date : 2025-02-01DOI: 10.1016/j.cdc.2024.101178
Ayanfejesu Heritage Odebunmi , Misbaudeen Abdul-Hammed , Olugbenga Solomon Bello
Cocoa pod-activated carbon (CPAC) was used as adsorbent for the removal of amodiaquine from aqueous solution in this study. Orthophosphoric acid (H3PO4) was used to modify the raw cocoa pod (RCP) to enhance its adsorptive properties. It was observed that the adsorption data was best described by the Langmuir isotherm having a qm value of 321.33 mgg-1. Pseudo Second Order (PSO) best fitted the adsorption data with R2 tending towards 1, with a low SSE value and high agreement between qe, cal and qe, exp values. Thermodynamic study gave negative value of ΔGo, positive value of ΔHo and Ea value which is greater than 80 kJ mol−1 , this confirms that the interaction is chemisorption in nature. Cost analysis shows that CPAC was about eight times cheaper than the commercial activated carbon (CAC). CPAC is a viable and affordable option for AMO removal from the wastewater
{"title":"Amodiaquine sequestration using cocoa pod based activated carbon","authors":"Ayanfejesu Heritage Odebunmi , Misbaudeen Abdul-Hammed , Olugbenga Solomon Bello","doi":"10.1016/j.cdc.2024.101178","DOIUrl":"10.1016/j.cdc.2024.101178","url":null,"abstract":"<div><div>Cocoa pod-activated carbon (CPAC) was used as adsorbent for the removal of amodiaquine from aqueous solution in this study. Orthophosphoric acid (H<sub>3</sub>PO<sub>4</sub>) was used to modify the raw cocoa pod (RCP) to enhance its adsorptive properties. It was observed that the adsorption data was best described by the Langmuir isotherm having a q<sub>m</sub> value of 321.33 mgg<sup>-1</sup>. Pseudo Second Order (PSO) best fitted the adsorption data with R<sup>2</sup> tending towards 1, with a low SSE value and high agreement between q<sub>e, cal</sub> and q<sub>e, exp</sub> values. Thermodynamic study gave negative value of ΔG<sup>o,</sup> positive value of ΔH<sup>o</sup> and E<sub>a</sub> value which is greater than 80 kJ mol<sup>−1</sup> , this confirms that the interaction is chemisorption in nature. Cost analysis shows that CPAC was about eight times cheaper than the commercial activated carbon (CAC). CPAC is a viable and affordable option for AMO removal from the wastewater</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"55 ","pages":"Article 101178"},"PeriodicalIF":2.218,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143143360","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-28DOI: 10.1016/j.cdc.2025.101183
Karthiga A． R , Divyabharathi S , Reshwen Shalo R , Rajeswari K , Vidhyasagar T
The structure of 3-methyl-2,6-diphenyl-1-(2-thiocyanatoacetyl)piperidin-4-one (3) was elucidated through single-crystal X-ray diffraction, revealing a distorted boat conformation of the piperidine ring. Phenyl and methyl groups occupy equatorial positions, with another phenyl group positioned axially. Molecular packing is stabilized by C–H⋯N, C–H⋯O and C–H⋯π interactions. DFT optimization at the B3LYP/6–311++G(d, p) level showed excellent agreement with experimental geometry, validating the model. HOMO-LUMO analysis revealed the electronic properties, while Mulliken charge and MEP identified reactivity and binding sites. Hirshfeld surface analysis quantified intermolecular interactions, highlighting H⋯H contacts (41.8 %), with energy framework analysis emphasizing dispersion forces. Docking studies with 3ERT protein demonstrated favorable interactions, supporting its anticancer potential. ADME predictions confirmed a suitable pharmacokinetic profile, underscoring its drug development potential. This study integrates crystallographic, computational, and biological evaluations showcasing the structural and therapeutic significance of the compound.
{"title":"Crystal structure of 3-methyl-2,6-diphenyl-1-(2-thiocyanatoacetyl)piperidin-4-one: A combined experimental and theoretical study","authors":"Karthiga A． R , Divyabharathi S , Reshwen Shalo R , Rajeswari K , Vidhyasagar T","doi":"10.1016/j.cdc.2025.101183","DOIUrl":"10.1016/j.cdc.2025.101183","url":null,"abstract":"<div><div>The structure of 3-methyl-2,6-diphenyl-1-(2-thiocyanatoacetyl)piperidin-4-one <strong>(3)</strong> was elucidated through single-crystal X-ray diffraction, revealing a distorted boat conformation of the piperidine ring. Phenyl and methyl groups occupy equatorial positions, with another phenyl group positioned axially. Molecular packing is stabilized by C–H⋯N, C–H⋯O and C–H⋯π interactions. DFT optimization at the B3LYP/6–311++G(d, p) level showed excellent agreement with experimental geometry, validating the model. HOMO-LUMO analysis revealed the electronic properties, while Mulliken charge and MEP identified reactivity and binding sites. Hirshfeld surface analysis quantified intermolecular interactions, highlighting H⋯H contacts (41.8 %), with energy framework analysis emphasizing dispersion forces. Docking studies with <em>3ERT</em> protein demonstrated favorable interactions, supporting its anticancer potential. ADME predictions confirmed a suitable pharmacokinetic profile, underscoring its drug development potential. This study integrates crystallographic, computational, and biological evaluations showcasing the structural and therapeutic significance of the compound.</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"56 ","pages":"Article 101183"},"PeriodicalIF":2.218,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143097208","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-28DOI: 10.1016/j.cdc.2025.101185
Urooba Khan , Shawkat Hayat , Muhammad Nabi , Hayat Ullah , Ali Umar , Muhammad Saleem Khan , Fazal Rahim , Muhammad Azam Khan , Rashid Iqbal , Farzana Gul , Muhammed Perviaz
-Benzotriazole-based thiourea analogues (1–13) were synthesized, characterized through different techniques such as 1H-NMR, 13C-NMR, and HREI-MS, and evaluated against alpha-glucosidase and urease enzymes. All synthesized analogues exhibited variable inhibitory potential, with IC50 values ranging from 2.30 ± 0.10 to 19.40 ± 0.20 µM (against α-glucosidase) as compared to standard drug acarbose (IC50 = 12.30 ± 1.10 µM) and 8.50 ± 0.30 to 27.60 ± 0.40 µM (against urease) as compared to standard drug thiourea (IC50 = 19.20 ± 0.21 µM). In case of α-glucosidase, analogues 12 (IC50 = 2.30 ± 0.10 µM) exhibited many times better activity than standard drug acarbose, while in case of urease, compounds 7 (IC50 = 8.50 ± 0.30 µM) showed many times better activity than standard drug thiourea. Analogue 13 showed the least activity in both cases. We performed molecular docking studies to demonstrate the binding interaction of the most active scaffolds with the enzyme's active site. All compounds were verified for cytotoxicity against the 3T3 mouse fibroblast cell line and detected as non-toxic.
{"title":"New 1,2,3-Benzotriazole-based thiourea analogues: Synthesis, alpha-glucosidase, urease activities and molecular docking study","authors":"Urooba Khan , Shawkat Hayat , Muhammad Nabi , Hayat Ullah , Ali Umar , Muhammad Saleem Khan , Fazal Rahim , Muhammad Azam Khan , Rashid Iqbal , Farzana Gul , Muhammed Perviaz","doi":"10.1016/j.cdc.2025.101185","DOIUrl":"10.1016/j.cdc.2025.101185","url":null,"abstract":"<div><div>-Benzotriazole-based thiourea analogues (<strong>1–13</strong>) were synthesized, characterized through different techniques such as <sup>1</sup>H-NMR, <sup>13</sup>C-NMR, and HREI-MS, and evaluated against alpha-glucosidase and urease enzymes. All synthesized analogues exhibited variable inhibitory potential, with IC<sub>50</sub> values ranging from 2.30 ± 0.10 to 19.40 ± 0.20 µM (against α-glucosidase) as compared to standard drug acarbose (IC<sub>50</sub> = 12.30 ± 1.10 µM) and 8.50 ± 0.30 to 27.60 ± 0.40 µM (against urease) as compared to standard drug thiourea (IC<sub>50</sub> = 19.20 ± 0.21 µM). In case of α-glucosidase, analogues <strong>12</strong> (IC<sub>50</sub> = 2.30 ± 0.10 µM) exhibited many times better activity than standard drug acarbose, while in case of urease, compounds <strong>7</strong> (IC<sub>50</sub> = 8.50 ± 0.30 µM) showed many times better activity than standard drug thiourea. Analogue <strong>13</strong> showed the least activity in both cases. We performed molecular docking studies to demonstrate the binding interaction of the most active scaffolds with the enzyme's active site. All compounds were verified for cytotoxicity against the 3T3 mouse fibroblast cell line and detected as non-toxic.</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"56 ","pages":"Article 101185"},"PeriodicalIF":2.218,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143097211","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this work, we report the synthesis of several S- and N-derivatives of 5-phenyl-1,2,4-triazole-2,4-dihydro-3-thione (3–6). Methods for the preparation of these compounds were based on the alkylation and aminomethylation reactions of triazolethione (2). The target products were obtained in high (85–98%) yield. The structures of the synthesized compounds were confirmed by IR, 1H and 13C NMR spectroscopy, mass spectrometry, and selective X-ray diffraction analysis. All compounds were tested in vitro against four human cancer cells (HeLa, HBL-100, HEp-2, CCRF-CEM), gram-positive (Staphylococcus aureus, Bacillus subtilis) and gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa), as well as the opportunistic fungus Candida albicans.
{"title":"Synthesis, crystal structure and evaluation of the cytotoxic, antimicrobial activity of some S- and N-derivatives of 5-phenyl-1,2,4-triazole-2,4-dihydro-3-thione","authors":"Abdukhakim Ziyaev , Sobirdjan Sasmakov , Rasul Okmanov , Utkir Makhmudov , Turdibek Toshmurodov , Мavluda Ziyaeva , Nigora Tosheva , Shakhnoz Azimova","doi":"10.1016/j.cdc.2025.101182","DOIUrl":"10.1016/j.cdc.2025.101182","url":null,"abstract":"<div><div>In this work, we report the synthesis of several <em>S</em>- and <em>N</em>-derivatives of 5-phenyl-1,2,4-triazole-2,4-dihydro-3-thione (<strong>3</strong>–<strong>6</strong>). Methods for the preparation of these compounds were based on the alkylation and aminomethylation reactions of triazolethione (<strong>2</strong>). The target products were obtained in high (85–98%) yield. The structures of the synthesized compounds were confirmed by IR, <sup>1</sup>H and <sup>13</sup>C NMR spectroscopy, mass spectrometry, and selective X-ray diffraction analysis. All compounds were tested in vitro against four human cancer cells <em>(HeLa, HBL-100, HEp-2, CCRF-CEM),</em> gram-positive <em>(Staphylococcus aureus, Bacillus subtilis)</em> and gram-negative bacteria <em>(Escherichia coli, Pseudomonas aeruginosa),</em> as well as the opportunistic fungus <em>Candida albicans.</em></div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"56 ","pages":"Article 101182"},"PeriodicalIF":2.218,"publicationDate":"2025-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143097209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-07DOI: 10.1016/j.cdc.2025.101181
N. Timoudan , A. Barrahi , L. Adlani , Abhinay Thakur , M. Rbaa , F. Benhiba , R. Hsissou , I. Warad , H. Zarrok , B. Lakhrissi , G. Kaichouh , F. Bentiss , A. Zarrouk
In this work, the effectiveness of 5-((2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)quinoline-8-ol (NDIQ) as a corrosion inhibitor for carbon- steel (C/steel) of 1.0 M hydrochloric acid was examined using electrochemical methods, scanning electron microscopy (SEM-EDS), and ultraviolet-visible spectrophotometry (UV–Vis). At a concentration of 1 × 10−3M and a T of 303 K, the highest corrosion inhibition efficiency of NDIQ reached 97.4 %. The results gathered through polarization curve analysis (PCA) showed that NDIQ acts as a mixed/type inhibitor. Additionally, the adsorption of molecules onto the C/steel surface was modeled using density functional theory, and molecular dynamics simulations (DFT-MD). Theoretical studies based on quantum chemistry and molecular dynamics simulations confirmed the remarkable adsorption of quinoline-8-ol on the metal sample.
{"title":"Theoretical and experimental research of the ability of quinolin-8-ol compound derivative to inhibit C-steel corrosion in a molar hydrochloric acid environment","authors":"N. Timoudan , A. Barrahi , L. Adlani , Abhinay Thakur , M. Rbaa , F. Benhiba , R. Hsissou , I. Warad , H. Zarrok , B. Lakhrissi , G. Kaichouh , F. Bentiss , A. Zarrouk","doi":"10.1016/j.cdc.2025.101181","DOIUrl":"10.1016/j.cdc.2025.101181","url":null,"abstract":"<div><div>In this work, the effectiveness of 5-((2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)quinoline-8-ol (NDIQ) as a corrosion inhibitor for carbon- steel (C/steel) of 1.0 M hydrochloric acid was examined using electrochemical methods, scanning electron microscopy (SEM-EDS), and ultraviolet-visible spectrophotometry (UV–Vis). At a concentration of 1 × 10<sup>−3</sup>M and a <em>T</em> of 303 K, the highest corrosion inhibition efficiency of NDIQ reached 97.4 %. The results gathered through polarization curve analysis (PCA) showed that NDIQ acts as a mixed/type inhibitor. Additionally, the adsorption of molecules onto the C/steel surface was modeled using density functional theory, and molecular dynamics simulations (DFT-MD). Theoretical studies based on quantum chemistry and molecular dynamics simulations confirmed the remarkable adsorption of quinoline-8-ol on the metal sample.</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"56 ","pages":"Article 101181"},"PeriodicalIF":2.218,"publicationDate":"2025-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143097210","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-01DOI: 10.1016/j.cdc.2024.101174
Muhammad Baba Saje , Taofik Olatunde Uthman , Serdar Surgun
Crude oil extraction is often associated with spillage leading to environmental pollution. The present study investigates the application of sodium alginate chitosan hydrogel polyelectrolyte complex adsorbent in the treatment of crude oil-polluted water. Chitosan was mixed with sodium alginate in nine ratios (1:9 to 9:1), and examined based on pH and concentration of pollution, in relation to the proportion of hydrogel-polyelectrolyte adsorbent. The efficiency of the preparation was evaluated using batch adsorption isotherm. X-ray diffraction and scanning electron microscopy of the hydrogel were carried out to evaluate the impact of surface area on adsorption. The results obtained revealed that adsorption was significantly affected by pH, adsorbent ratio and crude oil concentration. Specifically, there was a decline in adsorption as pH increased. Higher ratio of chitosan to sodium alginate also resulted in less crude oil adsorption. Overall, the study revealed the adsorption potential of SACHPC adsorbent in remediating crude oil pollution.
{"title":"Preparation and application of sodium alginate-chitosan hydrogel polyelectrolyte complex adsorbent for treatment of oil spillage","authors":"Muhammad Baba Saje , Taofik Olatunde Uthman , Serdar Surgun","doi":"10.1016/j.cdc.2024.101174","DOIUrl":"10.1016/j.cdc.2024.101174","url":null,"abstract":"<div><div>Crude oil extraction is often associated with spillage leading to environmental pollution. The present study investigates the application of sodium alginate chitosan hydrogel polyelectrolyte complex adsorbent in the treatment of crude oil-polluted water. Chitosan was mixed with sodium alginate in nine ratios (1:9 to 9:1), and examined based on pH and concentration of pollution, in relation to the proportion of hydrogel-polyelectrolyte adsorbent. The efficiency of the preparation was evaluated using batch adsorption isotherm. X-ray diffraction and scanning electron microscopy of the hydrogel were carried out to evaluate the impact of surface area on adsorption. The results obtained revealed that adsorption was significantly affected by pH, adsorbent ratio and crude oil concentration. Specifically, there was a decline in adsorption as pH increased. Higher ratio of chitosan to sodium alginate also resulted in less crude oil adsorption. Overall, the study revealed the adsorption potential of SACHPC adsorbent in remediating crude oil pollution.</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"54 ","pages":"Article 101174"},"PeriodicalIF":2.218,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142757543","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-01DOI: 10.1016/j.cdc.2024.101172
N. Punitha , A. Parvathi Priya
The popularity of triazoles for metal corrosion inhibition has increased in recent years. These compounds form a protective film over the metal, which inhibits the interaction among the corrosive agent and metal. By blocking the sites where corrosion typically occurs, triazoles significantly extend the lifespan of metal structures. This makes them an effective and economical choice for various industrial applications. This study explores the ability of 4–nitro–1–octyl–5–phenyl–1H–1,2,3–triazole (NOPT) to inhibit corrosion. The structure of the investigated inhibitor was determined using Proton Nuclear Magnetic Resonance and Carbon–13 Nuclear Magnetic Resonance (1H NMR and 13C NMR) spectroscopy, while its purity was confirmed using Thin Layer Chromatography (TLC). The anticorrosive properties of NOPT on mild steel (MS) samples immersed in 1.0 M HCl were investigated by electrochemical and chemical methods. The inhibitory performance of NOPT was evaluated using scanning electron microscopy (SEM), energy dispersive X–ray spectrometer (EDS) and an atomic force microscope (AFM). The inhibitor reaches its maximum inhibition efficiency of 88.78 % at 150 ppm when the temperature is 302 K. NOPT was found to regulate both cathodic and anodic reactions, and the Langmuir model followed the adsorption isotherm. Based on thermodynamic parameter values, it is suggested that triazoles molecules are physically adsorbed on MS surfaces. Density functional theory (DFT) of NOPT in gas and water phases aligns well with experimental findings. SEM and AFM images indicate that the MS sample immersed in an acidic solution with studied triazole derivative has a smoother surface compared to the acidic solution without the inhibitor. EDS findings confirmed the existence of NOPT molecules on the metal surface.
{"title":"Corrosion prevention capability of 1,2,3–triazole derivative on mild steel in an acidic medium: Experimental and theoretical approach","authors":"N. Punitha , A. Parvathi Priya","doi":"10.1016/j.cdc.2024.101172","DOIUrl":"10.1016/j.cdc.2024.101172","url":null,"abstract":"<div><div>The popularity of triazoles for metal corrosion inhibition has increased in recent years. These compounds form a protective film over the metal, which inhibits the interaction among the corrosive agent and metal. By blocking the sites where corrosion typically occurs, triazoles significantly extend the lifespan of metal structures. This makes them an effective and economical choice for various industrial applications. This study explores the ability of 4–nitro–1–octyl–5–phenyl–1H–1,2,3–triazole (NOPT) to inhibit corrosion. The structure of the investigated inhibitor was determined using Proton Nuclear Magnetic Resonance and Carbon–13 Nuclear Magnetic Resonance (<sup>1</sup>H NMR and <sup>13</sup>C NMR) spectroscopy, while its purity was confirmed using Thin Layer Chromatography (TLC). The anticorrosive properties of NOPT on mild steel (MS) samples immersed in 1.0 M HCl were investigated by electrochemical and chemical methods. The inhibitory performance of NOPT was evaluated using scanning electron microscopy (SEM), energy dispersive X–ray spectrometer (EDS) and an atomic force microscope (AFM). The inhibitor reaches its maximum inhibition efficiency of 88.78 % at 150 ppm when the temperature is 302 K. NOPT was found to regulate both cathodic and anodic reactions, and the Langmuir model followed the adsorption isotherm. Based on thermodynamic parameter values, it is suggested that triazoles molecules are physically adsorbed on MS surfaces. Density functional theory (DFT) of NOPT in gas and water phases aligns well with experimental findings. SEM and AFM images indicate that the MS sample immersed in an acidic solution with studied triazole derivative has a smoother surface compared to the acidic solution without the inhibitor. EDS findings confirmed the existence of NOPT molecules on the metal surface.</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"54 ","pages":"Article 101172"},"PeriodicalIF":2.218,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142748085","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-01DOI: 10.1016/j.cdc.2024.101175
Azam Meydani, Mohammad Ali Amrollahi, Zahra Zaghaghi
In this research, Fe3O4@SiO2@β-CD/Ce (IV) was prepared as a novel, stable and high surface area composite. The prepared composite has magnetic properties and is non-toxic. A variety of advanced techniques such as EDS, XRD, FT-IR, VSM, and FE-SEM were utilized to characterize its structure. The prepared composite was applied as a catalyst for the synthesis of 2-(4-nitrophenyl)-2,3-dihydroquinazolin-4(1H)-one, 2-(4-nitrophenyl) benzo[d]thiazole and 2-(4-chlorophenyl)-2,3-dihydro-1H-perimidine. Cheapness, avoidance of toxic solvents, high catalytic activity, environmental friendliness, easy recovery and the ability to be reused four times are the main advantages of this composite.
{"title":"Fe3O4@SiO2@β-CD/Ce (IV) as a nano magnetic hybrid organic-inorganic catalyst","authors":"Azam Meydani, Mohammad Ali Amrollahi, Zahra Zaghaghi","doi":"10.1016/j.cdc.2024.101175","DOIUrl":"10.1016/j.cdc.2024.101175","url":null,"abstract":"<div><div>In this research, Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>@β-CD/Ce (IV) was prepared as a novel, stable and high surface area composite. The prepared composite has magnetic properties and is non-toxic. A variety of advanced techniques such as EDS, XRD, FT-IR, VSM, and FE-SEM were utilized to characterize its structure. The prepared composite was applied as a catalyst for the synthesis of 2-(4-nitrophenyl)-2,3-dihydroquinazolin-4(1H)-one, 2-(4-nitrophenyl) benzo[d]thiazole and 2-(4-chlorophenyl)-2,3-dihydro-1H-perimidine. Cheapness, avoidance of toxic solvents, high catalytic activity, environmental friendliness, easy recovery and the ability to be reused four times are the main advantages of this composite.</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"54 ","pages":"Article 101175"},"PeriodicalIF":2.218,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143100101","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-16DOI: 10.1016/j.cdc.2024.101173
Joshua O. Atiba , Ojo S.I. Fayomi
This study assesses the ability of Griseofulvin and Amoxicillin, two expired medicinal medications, to suppress corrosion on AA6063 aluminium alloy in a 1 M HCl environment. Aluminium alloys, such as AA6063, are prone to corrosion, especially when exposed to acidic environments and chloride ions. The electrochemical behaviour of AA6063 was evaluated at different temperatures (30 °C, 40 °C, 50 °C, and 60 °C) and concentrations (0.2 g, 0.4 g, and 0.6 g for Amoxicillin; 0.2 ml, 0.4 ml, and 0.6 ml for Griseofulvin) using potentiodynamic polarisation. The inhibitory mechanism was investigated using adsorption isotherms. The results show that both drugs successfully slow down the rate of corrosion, with griseofulvin working better at lower dosages. At higher temperatures, however, the efficacy of inhibition reduced, indicating a physisorption mechanism.
{"title":"Corrosion resistance and inhibition behavior of AA6063 in acidic chloride medium: A study using amoxicillin and Griseofulvin","authors":"Joshua O. Atiba , Ojo S.I. Fayomi","doi":"10.1016/j.cdc.2024.101173","DOIUrl":"10.1016/j.cdc.2024.101173","url":null,"abstract":"<div><div>This study assesses the ability of Griseofulvin and Amoxicillin, two expired medicinal medications, to suppress corrosion on AA6063 aluminium alloy in a 1 M HCl environment. Aluminium alloys, such as AA6063, are prone to corrosion, especially when exposed to acidic environments and chloride ions. The electrochemical behaviour of AA6063 was evaluated at different temperatures (30 °C, 40 °C, 50 °C, and 60 °C) and concentrations (0.2 g, 0.4 g, and 0.6 g for Amoxicillin; 0.2 ml, 0.4 ml, and 0.6 ml for Griseofulvin) using potentiodynamic polarisation. The inhibitory mechanism was investigated using adsorption isotherms. The results show that both drugs successfully slow down the rate of corrosion, with griseofulvin working better at lower dosages. At higher temperatures, however, the efficacy of inhibition reduced, indicating a physisorption mechanism.</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"54 ","pages":"Article 101173"},"PeriodicalIF":2.218,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142704006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-29DOI: 10.1016/j.cdc.2024.101170
Hung Minh Nguyen , Huy Quoc Do , Hau Bui Doan Tran , Huy Hoang Ngoc Nguyen , Thy Tan Tam Nguyen , Tuyet Thi Pham , Tuyet-Mai Tran-Thuy , Long Quang Nguyen , Dung Van Nguyen
Herein, magnetic activated carbon (MAC) was prepared via one-pot pyrolysis of FeCl3- and ZnCl2-loaded fallen saman leaves (FSLs). As a result, different metal-based nanoparticles (Fe(0), FeO, Fe3O4, and ZnO) were identified and evenly distributed within the activated carbon (AC) framework. MAC had a high SBET of 479 m2/g, a large Vtotal of 0.30 cm3/g, and a MS of 3.71 emu/g for magnetic separation. For application, 0.100 g/L MAC activated 2.00 mM persulfate (PS) at initial pH 3.0 to rapidly eliminate 96.5 ± 0.4 % of 50 ppm acid red 18 (AR18) within 60 min. Furthermore, quenching experiments indicated that the MAC+PS system might produce both reactive sulfate (SO4•−) and hydroxyl (•OH) radicals during AR18 treatment. Summarily, the findings highlighted the potential of multifunctional FSL-derived MAC due to its magnetic separability and effective PS activation ability towards AR18 degradation.
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