The present study introduces a simple, rapid, and selective method for detecting and determining total phosphate anions (Pi) using an indicator displacement assay (IDA) approach. A simple probe of Yttrium: Eriochrome cyanine R (Y: ECR complex) was chosen to detect Pi. When phosphate anions were added to the Y: ECR complex solution, it caused a color change from purple to yellow, at an optimal pH of 7.00. As the concentration of Y3+ increased, the absorption intensity at 441 nm gradually decreased, while a new absorption peak appeared at 531 nm (Δλ = 90 nm). Then, adding phosphate anions to the resulting complex solution increased the absorption intensity at 531 nm and an increase at 441 nm. This significant change was due to the release of ECR and forming a more stable complex between the Pi and Y3+. A linear response (R2 = 0.9924) was observed within the Pi concentration range of 2.27 to 39.3 μM, with a detection limit of 0.55 μM. A good relative standard deviation (RSD = 1.39 %) was achieved over 10 replicates under optimal conditions. The IDA-based chemosensor was successfully used to recover the total phosphate in water samples (94.25–99.60 %) and urine samples (97.80–103.60 %).
{"title":"Design of a new colorimetric chemosensor based on indicator displacement assay for rapid and selective detection of total phosphate","authors":"Zahra Aryan, Habibollah Khajehsharifi, Hamid Reza Rajabi","doi":"10.1016/j.rechem.2025.102145","DOIUrl":"10.1016/j.rechem.2025.102145","url":null,"abstract":"<div><div>The present study introduces a simple, rapid, and selective method for detecting and determining total phosphate anions (Pi) using an indicator displacement assay (IDA) approach. A simple probe of Yttrium: Eriochrome cyanine R (Y: ECR complex) was chosen to detect Pi. When phosphate anions were added to the Y: ECR complex solution, it caused a color change from purple to yellow, at an optimal pH of 7.00. As the concentration of Y<sup>3+</sup> increased, the absorption intensity at 441 nm gradually decreased, while a new absorption peak appeared at 531 nm (Δλ = 90 nm). Then, adding phosphate anions to the resulting complex solution increased the absorption intensity at 531 nm and an increase at 441 nm. This significant change was due to the release of ECR and forming a more stable complex between the Pi and Y<sup>3+</sup>. A linear response (R<sup>2</sup> = 0.9924) was observed within the Pi concentration range of 2.27 to 39.3 μM, with a detection limit of 0.55 μM. A good relative standard deviation (RSD = 1.39 %) was achieved over 10 replicates under optimal conditions. The IDA-based chemosensor was successfully used to recover the total phosphate in water samples (94.25–99.60 %) and urine samples (97.80–103.60 %).</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102145"},"PeriodicalIF":2.5,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143520071","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-01DOI: 10.1016/j.rechem.2025.102137
Karam Haddad , Mohammad Ghafer , Hana Salman , Hossam El-Rakkad
Activated Carbon (AC) was made from olive stone (OS), which is the basic material in olive industry wastes, by chemical treatment using phosphoric acid H3PO4 at 80 % concentration, then a heat treatment at 500 °C for two hours. Olive stone activated carbon (OSAC) was used as an adsorbent to remove Cadmium from aqueous solutions. The morphological and functional groups of the OSAC were determined by SEM, XRD, and FTIR analysis. The optimal conditions for the removal process were studied, and the results showed that the conditions required to reach the highest removal capacity are as follows: contact time of 180 min, particle size of ds ≤ 100 μm, solution pH of 6–7 and OSAC concentration of 0.1 g per 25 mL. The results showed that the adsorption in this study follows the Freundlich model with the correlation coefficient (R2 = 0.9943) with maximum removal efficiency (91.6 %), which indicates that the adsorption is competitive and the effective sites are not equal in adsorption capacity.
{"title":"Cadmium removal from aqueous solutions using olive stone activated carbon","authors":"Karam Haddad , Mohammad Ghafer , Hana Salman , Hossam El-Rakkad","doi":"10.1016/j.rechem.2025.102137","DOIUrl":"10.1016/j.rechem.2025.102137","url":null,"abstract":"<div><div>Activated Carbon (AC) was made from olive stone (OS), which is the basic material in olive industry wastes, by chemical treatment using phosphoric acid H<sub>3</sub>PO<sub>4</sub> at 80 % concentration, then a heat treatment at 500 °C for two hours. Olive stone activated carbon (OSAC) was used as an adsorbent to remove Cadmium from aqueous solutions. The morphological and functional groups of the OSAC were determined by SEM, XRD, and FTIR analysis. The optimal conditions for the removal process were studied, and the results showed that the conditions required to reach the highest removal capacity are as follows: contact time of 180 min, particle size of ds ≤ 100 μm, solution pH of 6–7 and OSAC concentration of 0.1 g per 25 mL. The results showed that the adsorption in this study follows the Freundlich model with the correlation coefficient (R<sup>2</sup> = 0.9943) with maximum removal efficiency (91.6 %), which indicates that the adsorption is competitive and the effective sites are not equal in adsorption capacity.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102137"},"PeriodicalIF":2.5,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143520074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The conventional reaction of α-hydroxy ketones (acyloins) with arene-1,2-diamines typically requires an oxidant to facilitate a tandem oxidative condensation, resulting in quinoxaline derivatives. In this study, an innovative approach has been introduced that eliminates the need for an oxidant, serving as an alternative to tandem oxidative protocols. Inspired by the ability of 3-hydroxyflavones to chelate Al(III) ions, this study focused on exploring the self-activation of acyloins with AlCl3 in the oxidant-free synthesis of quinoxalines via the formation of the acyloin@AlCl3 complex. Thus, when aromatic 1,2-diamines were exposed to the activated acyloin@AlCl3 complex under ethanolic conditions, high to excellent yields of quinoxalines were achieved. Additionally, the effect of other metal chlorides on the reaction was systematically investigated. To elucidate the specific role of aluminum(III) chloride in the annulation process, density functional theory was employed to show that the benzoin is activated in the presence of AlCl3 for further condensation reaction. Experimental validation of the model reaction, conducted through cyclic voltammetry corroborated the theoretical findings, demonstrating that benzoin exhibits greater electrochemical activity than benzene-1,2-diamine (ortho-PD) in the presence of AlCl3. Collectively, these data revealed the self-activation of benzoin as the host through the incorporation of AlCl3 as the guest.
{"title":"Oxidant-free annulation of α-hydroxy ketones with diamines using aluminum(III) chloride: A supramolecular approach for practical quinoxaline synthesis","authors":"Maryam Farajpour Mojdehi, Hani Sayahi, Saeed K. Amini, Farshid Mohsenzadeh, Hossein Reza Darabi, Kioumars Aghapoor","doi":"10.1016/j.rechem.2025.102148","DOIUrl":"10.1016/j.rechem.2025.102148","url":null,"abstract":"<div><div>The conventional reaction of α-hydroxy ketones (acyloins) with arene-1,2-diamines typically requires an oxidant to facilitate a tandem oxidative condensation, resulting in quinoxaline derivatives. In this study, an innovative approach has been introduced that eliminates the need for an oxidant, serving as an alternative to tandem oxidative protocols. Inspired by the ability of 3-hydroxyflavones to chelate Al(III) ions, this study focused on exploring the self-activation of acyloins with AlCl<sub>3</sub> in the oxidant-free synthesis of quinoxalines via the formation of the acyloin@AlCl<sub>3</sub> complex. Thus, when aromatic 1,2-diamines were exposed to the activated acyloin@AlCl<sub>3</sub> complex under ethanolic conditions, high to excellent yields of quinoxalines were achieved. Additionally, the effect of other metal chlorides on the reaction was systematically investigated. To elucidate the specific role of aluminum(III) chloride in the annulation process, density functional theory was employed to show that the benzoin is activated in the presence of AlCl<sub>3</sub> for further condensation reaction. Experimental validation of the model reaction, conducted through cyclic voltammetry corroborated the theoretical findings, demonstrating that benzoin exhibits greater electrochemical activity than benzene-1,2-diamine (<em>ortho</em>-PD) in the presence of AlCl<sub>3</sub>. Collectively, these data revealed the self-activation of benzoin as the host through the incorporation of AlCl<sub>3</sub> as the guest.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102148"},"PeriodicalIF":2.5,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143511501","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-28DOI: 10.1016/j.rechem.2025.102162
Yijiang Jia , Sina Bahraminejad , Chenyao Jiang , Ayijiang Taledaohan , Dejian Ma , Jianxiong Jiang , Yuji Wang , Jiawang Liu
Although arginine-derived PAD inhibitors represented by Cl-amidine (2) showed strong inhibition of PAD4 enzymes and exhibited efficacies in a variety of cellular assays and animal studies, their metabolic instability is a significant challenge for pre-clinical and clinical research. On the basis of the structure of a well-known PAD4 inhibitor BB-Cl-amidine (3), we designed two metabolically stable scaffolds, providing two arginine-derived PAD4 inhibitors (7 and 8). We evaluated their PAD4 enzyme inhibitory activity in vitro and assessed their metabolic stability using liver microsomal assays. These compounds exhibited PAD4 enzyme inhibitory activity (7, IC50 = 124.93 ± 10.21 μM; 8, IC50 = 46.49 ± 4.46 μM). Hydrolysis of haloacetamidine warheads into hydroxyacetamidine, Compound 7 (t1/2 > 60 min), significantly improved the metabolic stability of the lead BB-Cl-amidine (t1/2 = 18.11 min). Compound 8 (t1/2 > 60 min), the isostere of 7, also displayed enhanced metabolic stability. Therefore, these two structural scaffolds represent promising new leads for stable PAD4 inhibitors and valuable tools for exploring the reactive cavity of PAD enzymes.
{"title":"New structural scaffolds to enhance the metabolic stability of arginine-derived PAD4 inhibitors","authors":"Yijiang Jia , Sina Bahraminejad , Chenyao Jiang , Ayijiang Taledaohan , Dejian Ma , Jianxiong Jiang , Yuji Wang , Jiawang Liu","doi":"10.1016/j.rechem.2025.102162","DOIUrl":"10.1016/j.rechem.2025.102162","url":null,"abstract":"<div><div>Although arginine-derived PAD inhibitors represented by Cl-amidine (<strong>2</strong>) showed strong inhibition of PAD4 enzymes and exhibited efficacies in a variety of cellular assays and animal studies, their metabolic instability is a significant challenge for pre-clinical and clinical research. On the basis of the structure of a well-known PAD4 inhibitor BB-Cl-amidine (<strong>3</strong>), we designed two metabolically stable scaffolds, providing two arginine-derived PAD4 inhibitors (<strong>7</strong> and <strong>8</strong>). We evaluated their PAD4 enzyme inhibitory activity <em>in vitro</em> and assessed their metabolic stability using liver microsomal assays. These compounds exhibited PAD4 enzyme inhibitory activity (<strong>7</strong>, IC<sub>50</sub> = 124.93 ± 10.21 μM; <strong>8</strong>, IC<sub>50</sub> = 46.49 ± 4.46 μM). Hydrolysis of haloacetamidine warheads into hydroxyacetamidine, Compound <strong>7</strong> (t<sub>1/2</sub> > 60 min), significantly improved the metabolic stability of the lead BB-Cl-amidine (t<sub>1/2</sub> = 18.11 min). Compound <strong>8</strong> (t<sub>1/2</sub> > 60 min), the isostere of <strong>7</strong>, also displayed enhanced metabolic stability. Therefore, these two structural scaffolds represent promising new leads for stable PAD4 inhibitors and valuable tools for exploring the reactive cavity of PAD enzymes.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102162"},"PeriodicalIF":2.5,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143563092","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-27DOI: 10.1016/j.rechem.2025.102149
Akasha Fatima , Muhammad Shahid Khan , Rabia Ayoub , Tahira Jabeen , Yilan Zeng , Waqar Azeem , Sana Javaid , Martin Motola
Bismuth ferrite (BiFeO3) nanoparticles were synthesized using Calotropis procera leave extract via sol-gel and co-precipitation methods, yielding distinct structural and functional properties. The sol-gel method produced rhombohedral, rod-like nanoparticles with a crystallite size of 30.25 nm and a lower band gap of 2.31 eV. These characteristics contributed to superior photocatalytic degradation of Rhodamine B, achieving 90.1 % efficiency, alongside enhanced antibacterial activity against Bacillus cereus and Cocci, and higher antioxidant performance with a DPPH radical scavenging rate of 79.99 %. Conversely, the co-precipitation method resulted in rhombohedral, needle-like nanoparticles with a smaller crystallite size of 18.02 nm and a higher band gap of 3.6 eV, leading to lower Rhodamine B degradation efficiency (88.6 %) and reduced antibacterial and antioxidant activities. These findings highlight the effectiveness of the induction of Calotropis procera leave extract and sol-gel method in producing BiFeO3 nanoparticles with superior properties for environmental and biomedical applications.
通过溶胶-凝胶法和共沉淀法，利用石菖蒲叶提取物合成了铁氧体铋（BiFeO3）纳米粒子，并获得了不同的结构和功能特性。溶胶-凝胶法生成的纳米粒子呈斜方体棒状，结晶尺寸为 30.25 nm，带隙较低，为 2.31 eV。这些特性使得罗丹明 B 的光催化降解效率达到 90.1%，同时增强了对蜡样芽孢杆菌和球菌的抗菌活性，并提高了抗氧化性能，DPPH 自由基清除率达到 79.99%。相反，共沉淀法产生的斜方体针状纳米粒子结晶尺寸较小，为 18.02 nm，带隙较高，为 3.6 eV，导致罗丹明 B 降解效率较低（88.6%），抗菌和抗氧化活性降低。这些研究结果突出表明，通过诱导石菖蒲叶提取物和溶胶-凝胶法生产出的纳米 BiFeO3 粒子具有卓越的性能，可用于环境和生物医学领域。
{"title":"Comparative study of sol-gel and co-precipitation techniques for synthesizing Calotropis Procera-mediated bismuth ferrite for biomedical and environmental applications","authors":"Akasha Fatima , Muhammad Shahid Khan , Rabia Ayoub , Tahira Jabeen , Yilan Zeng , Waqar Azeem , Sana Javaid , Martin Motola","doi":"10.1016/j.rechem.2025.102149","DOIUrl":"10.1016/j.rechem.2025.102149","url":null,"abstract":"<div><div>Bismuth ferrite (BiFeO<sub>3</sub>) nanoparticles were synthesized using <em>Calotropis procera</em> leave extract via sol-gel and co-precipitation methods, yielding distinct structural and functional properties. The sol-gel method produced rhombohedral, rod-like nanoparticles with a crystallite size of 30.25 nm and a lower band gap of 2.31 eV. These characteristics contributed to superior photocatalytic degradation of Rhodamine B, achieving 90.1 % efficiency, alongside enhanced antibacterial activity against <em>Bacillus cereus</em> and <em>Cocci</em>, and higher antioxidant performance with a DPPH radical scavenging rate of 79.99 %. Conversely, the co-precipitation method resulted in rhombohedral, needle-like nanoparticles with a smaller crystallite size of 18.02 nm and a higher band gap of 3.6 eV, leading to lower Rhodamine B degradation efficiency (88.6 %) and reduced antibacterial and antioxidant activities. These findings highlight the effectiveness of the induction of <em>Calotropis procera</em> leave extract and sol-gel method in producing BiFeO<sub>3</sub> nanoparticles with superior properties for environmental and biomedical applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102149"},"PeriodicalIF":2.5,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143637559","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-26DOI: 10.1016/j.rechem.2025.102133
Zainab Hussein Abd Al-khuder, Faiq F. Karam
The objective of this study is to synthesis a quaternary composite of reduced graphene oxide (RGO), miltiwaled carbon nanotube (MWCNTs), choline chloride, and malonic acid by using discrete flame deposition technology to make multi-walled carbon nanotubes. Ascorbic acid was used to produce reduced graphene oxide through reduction and subsequently synthesize the deep eutectic solvent. The product was characterized using several techniques: such as Raman spectroscopy, X-ray difruction (XRD), Fourier transform infrared (FTIR), and field emission scanning electron microscopy (FESEM). The current study used a mixed material made of Deeb Eutictic Sol(DES) like choline chloride and Malonic acid with RGO and MWCNTs to adsorb and remove the dye methyl orange (MO). Some techniques such as: HNMR, C13 and IR tests, were used to examine the data for the eutectic solvents of malonic acid and choline chloride. Efffect of some parametrs upon adsorption of dye were investigated such as weight of adsorbent, the contact time between dye with composite, as well as the temperature, pH and ionic density. Also investigation on the adsorption kinetics, and isotherms were studied. The results showed that according to Giles classification, the adsorption curve on the surface of the prepared compound is (S3) for methyl orange dye, which follows the Freundlich model and enables adsorption. The results of the adsorption study of methyl orange dye at different temperatures showed that the amount of adsorbed dye increases with decreasing temperature, indicating that the adsorption process was thermal and exothermic. The adsorption process of methyl orange dye was studied, where it was found that the highest amount of dye adsorbed on the surface of the prepared compound was pH = 4. The results also showed the effect of ionic strength on the adsorption process of salts (NaCl, CaCO3) where it was found that CaCO3 salts with greater solubility affect the amount of adsorbed material compared to NaCl salts. The results also indicated that the adsorption temperature equation applies to Freundlich and Mecan and does not apply to Langmuir. Therefore, the adsorption is physical adsorption because the surface energy of the adsorbent materials is heterogeneous and multilayered and the enthalpy value for us was a negative value, which confirms the type of adsorption since the adsorption here is physical. The results also showed that the adsorption kinetics study of methyl orange dye is of the pseudo-second order, and its surface adsorption ability was tested by reactivating it after each use by washing it with distilled water, and it was found that it has the ability to adsorption after the activation process with the same efficiency, then a decrease occurs in its surface adsorption ability.
{"title":"Synthesis and characterization of a quaternary composite based on RGO/MWCNTs/choline chloride + malonic acid for methyl orange dye adsorption","authors":"Zainab Hussein Abd Al-khuder, Faiq F. Karam","doi":"10.1016/j.rechem.2025.102133","DOIUrl":"10.1016/j.rechem.2025.102133","url":null,"abstract":"<div><div>The objective of this study is to synthesis a quaternary composite of reduced graphene oxide (RGO), miltiwaled carbon nanotube (MWCNTs), choline chloride, and malonic acid by using discrete flame deposition technology to make multi-walled carbon nanotubes. Ascorbic acid was used to produce reduced graphene oxide through reduction and subsequently synthesize the deep eutectic solvent. The product was characterized using several techniques: such as Raman spectroscopy, X-ray difruction (XRD), Fourier transform infrared (FTIR), and field emission scanning electron microscopy (FESEM). The current study used a mixed material made of Deeb Eutictic Sol(DES) like choline chloride and Malonic acid with RGO and MWCNTs to adsorb and remove the dye methyl orange (MO). Some techniques such as: HNMR, C13 and IR tests, were used to examine the data for the eutectic solvents of malonic acid and choline chloride. Efffect of some parametrs upon adsorption of dye were investigated such as weight of adsorbent, the contact time between dye with composite, as well as the temperature, pH and ionic density. Also investigation on the adsorption kinetics, and isotherms were studied. The results showed that according to Giles classification, the adsorption curve on the surface of the prepared compound is (S3) for methyl orange dye, which follows the Freundlich model and enables adsorption. The results of the adsorption study of methyl orange dye at different temperatures showed that the amount of adsorbed dye increases with decreasing temperature, indicating that the adsorption process was thermal and exothermic. The adsorption process of methyl orange dye was studied, where it was found that the highest amount of dye adsorbed on the surface of the prepared compound was pH = 4. The results also showed the effect of ionic strength on the adsorption process of salts (NaCl, CaCO3) where it was found that CaCO3 salts with greater solubility affect the amount of adsorbed material compared to NaCl salts. The results also indicated that the adsorption temperature equation applies to Freundlich and Mecan and does not apply to Langmuir. Therefore, the adsorption is physical adsorption because the surface energy of the adsorbent materials is heterogeneous and multilayered and the enthalpy value for us was a negative value, which confirms the type of adsorption since the adsorption here is physical. The results also showed that the adsorption kinetics study of methyl orange dye is of the pseudo-second order, and its surface adsorption ability was tested by reactivating it after each use by washing it with distilled water, and it was found that it has the ability to adsorption after the activation process with the same efficiency, then a decrease occurs in its surface adsorption ability.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102133"},"PeriodicalIF":2.5,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551952","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-22DOI: 10.1016/j.rechem.2025.102131
C. Krishna Moorthy , T. Gomathi , M. Kannan , T. Mohana Priya
Nowadays, the use of many organic solvents poses a serious threat to the atmosphere due to the release of toxic by-products. Therefore, the use of solvent-free green catalysts to solve this problem has brought about a significant change in the field of chemistry. Based on this, a Schiff base ligand is synthesized from the condensation of dapsone (4,4′-sulfonyldianiline) and 4-dimethylaminobenzaldehyde in the presence of green catalyst especially cashwnut shell liquid (CNSL) catalyst. Furthermore, metal(II) complexes Co(II), Ni(II), Cu(II) and Zn(II) were synthesized from a new Schiff base ligand. The composition of the Schiff base ligand and its metal(II) complexes was analyzed by various analytical techniques such as UV, IR, NMR (H1 & C13), Mass spectra and SEM analysis. Schiff base ligand and its complexes were tested in vitro to evaluate their antimicrobial activity against Escherichia coli, Staphylococcus aureus and Candida albicans using a well diffusion method. Schiff base ligand and its complexes were found to exhibit significant antimicrobial activity against all tested bacterial species. The anticancer properties of the Schiff base ligand and its copper(II) complex are evaluated using MTT assay on the human breast cancer cell line MCF-7. Molecular docking study of Cu(II) complex with the target protein HER2 revealed good binding potential.
{"title":"CNSL green catalyst of sulfone-based Schiff base ligand and its metal(II) complexes: Antibacterial, anticancer and molecular docking studies","authors":"C. Krishna Moorthy , T. Gomathi , M. Kannan , T. Mohana Priya","doi":"10.1016/j.rechem.2025.102131","DOIUrl":"10.1016/j.rechem.2025.102131","url":null,"abstract":"<div><div>Nowadays, the use of many organic solvents poses a serious threat to the atmosphere due to the release of toxic by-products. Therefore, the use of solvent-free green catalysts to solve this problem has brought about a significant change in the field of chemistry. Based on this, a Schiff base ligand is synthesized from the condensation of dapsone (4,4′-sulfonyldianiline) and 4-dimethylaminobenzaldehyde in the presence of green catalyst especially cashwnut shell liquid (CNSL) catalyst. Furthermore, metal(II) complexes Co(II), Ni(II), Cu(II) and Zn(II) were synthesized from a new Schiff base ligand. The composition of the Schiff base ligand and its metal(II) complexes was analyzed by various analytical techniques such as UV, IR, NMR (H<sup>1</sup> & C<sup>13</sup>), Mass spectra and SEM analysis. Schiff base ligand and its complexes were tested <em>in vitro</em> to evaluate their antimicrobial activity against <em>Escherichia coli, Staphylococcus aureus</em> and <em>Candida albicans</em> using a well diffusion method. Schiff base ligand and its complexes were found to exhibit significant antimicrobial activity against all tested bacterial species. The anticancer properties of the Schiff base ligand and its copper(II) complex are evaluated using MTT assay on the human breast cancer cell line MCF-7. Molecular docking study of Cu(II) complex with the target protein HER2 revealed good binding potential.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102131"},"PeriodicalIF":2.5,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143487306","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-21DOI: 10.1016/j.rechem.2025.102144
Neeraj Kumar, Pranshi Verma, Archana Thakur
This study reports the synthesis of two iron(III)-based metal–organic frameworks, Fe–MOFs (1) and (2), characterized through various techniques and their catalytic application in phenol degradation. The hydrothermal synthesis involved ferric nitrate nonahydrate, glutaric acid, and phloroglucinol for Fe-MOF (1) and ferric nitrate nonahydrate, glutaric acid and thiocynuric acid for Fe-MOF (2). Characterization of the Fe-MOFs was accomplished via infrared (IR) spectroscopy, field emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray (EDX) analysis, powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and thermogravimetric analysis (TGA), which confirmed the synthesis. This study highlighted the significant catalytic activity of these Fe-MOFs (1) and (2) for phenol degradation studies in the presence of hydrogen peroxides. The optimal phenol degradation occurred at pH values ranging from 4–5, temperatures ranging from 30–40 °C, 0.01–0.02 g/L of the Fe-MOFs and 10 mmol of hydrogen peroxide. The results of the kinetics of phenol degradation indicated that degradation followed pseudo-first-order kinetics under different parameters. The thermodynamic kinetic studies also revealed a greater activation energy for Fe-MOF (1), whereas Fe-MOF (2) had a greater negative Gibbs energy, indicating greater spontaneity. This study highlights the application of iron-based metal–organic frameworks as catalysts for phenol degradation in wastewater.
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Pub Date : 2025-02-20DOI: 10.1016/j.rechem.2025.102128
S.E. Ghasemi , A.A. Ranjbar
This study presents a two-phase model to simulate and analyze the peristaltic flow of nanofluids through a wavy-shaped channel, with significant applications in drug delivery systems in pharmacology and blood pumps. The research aims to investigate the temperature field and nanoparticle volume fraction, providing insights into heat and mass transfer behaviors in biomedical and industrial applications. The Adams-Bashforth numerical method has been employed to obtain the model results, ensuring accuracy and reliability. A comparison with two published works demonstrates high precision and consistency in the findings. Key results indicate a direct correlation between the Brownian motion parameter (Nb) and the temperature profile, where an increase in Nb from 3 to 7 leads to a 27 % rise in temperature at η = 0.3. Additionally, an increase in Nb enhances the nanofluid concentration, with a 15 % rise in nanoparticle fraction observed at η = 0.5. These findings contribute to optimizing nanofluid-based biomedical devices and improving thermal management in engineering applications.
本研究提出了一种两相模型，用于模拟和分析纳米流体通过波浪形通道的蠕动流，该模型在药理学中的给药系统和血液泵中有重要应用。研究旨在调查温度场和纳米粒子体积分数，为生物医学和工业应用中的传热和传质行为提供见解。研究采用了 Adams-Bashforth 数值方法来获取模型结果，以确保准确性和可靠性。与已发表的两篇论文进行比较后，结果表明精确度和一致性都很高。主要结果表明，布朗运动参数（Nb）与温度曲线之间存在直接关联，在 η = 0.3 时，Nb 从 3 增加到 7 会导致温度上升 27%。此外，Nb 的增加会提高纳米流体的浓度，在 η = 0.5 时，纳米粒子分数会上升 15%。这些发现有助于优化基于纳米流体的生物医学设备和改善工程应用中的热管理。
{"title":"Peristaltic nanofluid flow analysis inside wavy channels for pharmacological applications","authors":"S.E. Ghasemi , A.A. Ranjbar","doi":"10.1016/j.rechem.2025.102128","DOIUrl":"10.1016/j.rechem.2025.102128","url":null,"abstract":"<div><div>This study presents a two-phase model to simulate and analyze the peristaltic flow of nanofluids through a wavy-shaped channel, with significant applications in drug delivery systems in pharmacology and blood pumps. The research aims to investigate the temperature field and nanoparticle volume fraction, providing insights into heat and mass transfer behaviors in biomedical and industrial applications. The Adams-Bashforth numerical method has been employed to obtain the model results, ensuring accuracy and reliability. A comparison with two published works demonstrates high precision and consistency in the findings. Key results indicate a direct correlation between the Brownian motion parameter (N<sub>b</sub>) and the temperature profile, where an increase in N<sub>b</sub> from 3 to 7 leads to a 27 % rise in temperature at η = 0.3. Additionally, an increase in N<sub>b</sub> enhances the nanofluid concentration, with a 15 % rise in nanoparticle fraction observed at η = 0.5. These findings contribute to optimizing nanofluid-based biomedical devices and improving thermal management in engineering applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102128"},"PeriodicalIF":2.5,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143480119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-19DOI: 10.1016/j.rechem.2025.102139
Mighty Kemelo , Phillip Moseki
Type 2 diabetes mellitus (T2DM) is a chronic metabolic disorder strongly associated with obesity and excessive fat accumulation in the liver and pancreas leading to insulin resistance and hyperglycemia. While lifestyle modifications are the first-line approach to managing T2DM, many patients require oral hypoglycemic medications to regulate and maintain blood glucose levels. Although the precise mechanisms of action for these drugs remain unclear, emerging evidence suggests that they may exert their effects through the AMP-activated protein kinase (AMPK) and/or Sirtuin 1 (SIRT1) pathways. Activation of the AMPK pathway promotes fatty acid oxidation, suppresses cholesterol biosynthesis, and enhances glucose uptake. Similarly, SIRT1, an NAD+-dependent deacetylase, regulates many proteins involved in glucose homeostasis and insulin signaling. This review explores the therapeutic potential of AMPK and SIRT1 in T2DM. It provides an in-depth analysis of AMPK's role in T2DM pathogenesis and highlights the benefits of AMPK modulation by polyphenols. Additionally, it delves into the mechanisms of oral hypoglycemic drugs, emphasizing the significance of AMPK activation. Furthermore, the review discusses the impact of calorie restriction and SIRT1 activation in T2DM, considering both non-pharmacological interventions and synthetic SIRT1 activation as viable therapeutic options.
{"title":"The AMPK-SIRT1 Axis: Redefining type 2 diabetes mellitus management","authors":"Mighty Kemelo , Phillip Moseki","doi":"10.1016/j.rechem.2025.102139","DOIUrl":"10.1016/j.rechem.2025.102139","url":null,"abstract":"<div><div>Type 2 diabetes mellitus (T2DM) is a chronic metabolic disorder strongly associated with obesity and excessive fat accumulation in the liver and pancreas leading to insulin resistance and hyperglycemia. While lifestyle modifications are the first-line approach to managing T2DM, many patients require oral hypoglycemic medications to regulate and maintain blood glucose levels. Although the precise mechanisms of action for these drugs remain unclear, emerging evidence suggests that they may exert their effects through the AMP-activated protein kinase (AMPK) and/or Sirtuin 1 (SIRT1) pathways. Activation of the AMPK pathway promotes fatty acid oxidation, suppresses cholesterol biosynthesis, and enhances glucose uptake. Similarly, SIRT1, an NAD<sup>+</sup>-dependent deacetylase, regulates many proteins involved in glucose homeostasis and insulin signaling. This review explores the therapeutic potential of AMPK and SIRT1 in T2DM. It provides an in-depth analysis of AMPK's role in T2DM pathogenesis and highlights the benefits of AMPK modulation by polyphenols. Additionally, it delves into the mechanisms of oral hypoglycemic drugs, emphasizing the significance of AMPK activation. Furthermore, the review discusses the impact of calorie restriction and SIRT1 activation in T2DM, considering both non-pharmacological interventions and synthetic SIRT1 activation as viable therapeutic options.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102139"},"PeriodicalIF":2.5,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143464870","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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