{"title":"Computational investigation of pristine, Al-, and Ga-doped Zn12O12 nanoclusters as detection platforms for methadone in gas and solvent phases","authors":"Farag M.A. Altalbawy , Uday Abdul-Reda Hussein , Iman Samir Alalaq , Irwanjot Kaur , Abhishek Kumar , Mamata Chahar , Suman Saini , Ruaa Sattar , Hadil Hussain Hamza , Marwea Al-hedrewy","doi":"10.1016/j.jorganchem.2024.123469","DOIUrl":"10.1016/j.jorganchem.2024.123469","url":null,"abstract":"<div><div>Electrochemical sensors are emerging as promising tools for point-of-care diagnostic medical devices, benefiting from advancements in nanomaterials. These nanomaterials enable the development of smaller, more sensitive, and selective sensors while reducing fabrication and maintenance costs. This work presents a comprehensive theoretical investigation of the potential application of pristine, Ga- and Al-doped Zn<sub>12</sub>O<sub>12</sub> nanoclusters for detecting methadone, a critical analyte in various medical and law enforcement applications. Employing density functional theory (DFT) calculations at the B3LYP-D level with the 6–311 G (d, p) basis set, we have elucidated the interactions between these nanoclusters and methadone. The results reveal that methadone exhibits intense adsorption energies of -41.02, -39.79, and -59.77 kcal/mol on the pristine Zn<sub>12</sub>O<sub>12</sub>, GaZn<sub>11</sub>O<sub>12,</sub> and AlZn<sub>11</sub>O<sub>12</sub> nanoclusters, respectively, in their most stable configurations. The doped nanoclusters, GaZn<sub>11</sub>O<sub>12</sub> and AlZn<sub>11</sub>O<sub>12</sub>, displayed significant gap energies (E<sub>g</sub>) changes upon methadone adsorption, indicating enhanced sensitivity towards this analyte. The UV–Vis spectroscopic analysis showed that methadone adsorption on the GaZn<sub>11</sub>O<sub>12</sub> and AlZn<sub>11</sub>O<sub>12</sub> nanoclusters led to distinct spectral shifts and oscillator strength variations compared to the Zn<sub>12</sub>O<sub>12</sub> nanocluster. The transition theory calculations highlighted the GaZn<sub>11</sub>O<sub>12</sub> nanocluster's short recovery time of 0.44 s, a crucial attribute for practical applications. Solvent effect studies demonstrated the stability of the methadone/GaZn<sub>11</sub>O<sub>12</sub> complex in water and revealed its heightened polarization, as evidenced by the increased dipole moment. These findings suggest that the GaZn<sub>11</sub>O<sub>12</sub> nanocluster is a promising candidate for detecting methadone in gas and liquid phases, with favorable attributes such as high sensitivity, rapid reversibility, and stability in gas and aqueous environments. Thus, this nanocluster can be used in sensor devices.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1025 ","pages":"Article 123469"},"PeriodicalIF":2.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138871","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Henrique P. Mota , João M. Anghinoni , Emilly C. Silva , Pâmela Macchion , Sabrina S. Ferreira , Jaqueline F. de Souza , Eder J. Lenardão , André R. Fajardo
{"title":"High-performance NiFe2O4 spinel catalysts: Recyclability and efficiency in multicomponent reactions","authors":"Henrique P. Mota , João M. Anghinoni , Emilly C. Silva , Pâmela Macchion , Sabrina S. Ferreira , Jaqueline F. de Souza , Eder J. Lenardão , André R. Fajardo","doi":"10.1016/j.jorganchem.2024.123478","DOIUrl":"10.1016/j.jorganchem.2024.123478","url":null,"abstract":"<div><div>Multicomponent reactions (MCRs) provide a greener approach to chemical synthesis, yet their complexity requires efficient catalysts. In this study, we investigate nickel ferrite spinels (NiFe<sub>2</sub>O<sub>4</sub>) as heterogeneous catalysts for the aza-Henry MCR to synthesize 2-arylimidazo[1,2-<em>a</em>]pyridines. NiFe<sub>2</sub>O<sub>4</sub> was synthesized via a sol–gel method and calcined at 500, 700, and 1000 °C. Higher calcination temperatures yielded spinels with enhanced purity, crystallinity, and magnetization, improving catalytic performance, particularly for the sample calcined at 1000 °C. Catalytic assays showed that with just 10 mol.% catalyst, the yield of 2-arylimidazo[1,2-<em>a</em>]pyridine reached 93 %, surpassing both homogeneous and heterogeneous alternatives. NiFe<sub>2</sub>O<sub>4</sub> also efficiently catalyzed the synthesis of the gastroprotective drug Zolimidine®, achieving a 65 % yield. Its magnetic properties facilitated easy recovery and reuse over five cycles, maintaining 80 % catalytic efficiency and over 98 % recovery. These results highlight NiFe<sub>2</sub>O<sub>4</sub> spinels as sustainable, recyclable, and highly effective catalysts for MCRs, making them promising candidates for laboratory and industrial applications.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1025 ","pages":"Article 123478"},"PeriodicalIF":2.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138863","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ana M. Guerra, Adrián Toyos, M. Angeles Alvarez, Daniel García-Vivó, Miguel A. Ruiz
{"title":"Synthesis and protonation reactions of nitrosyl complexes [M2Cp(μ-κ:η5-C5H4)(μ-PR2)(CO)(NO)2] to give κ:η-NO-bridged derivatives (M = Mo, W; R = Cy, tBu)","authors":"Ana M. Guerra, Adrián Toyos, M. Angeles Alvarez, Daniel García-Vivó, Miguel A. Ruiz","doi":"10.1016/j.jorganchem.2024.123475","DOIUrl":"10.1016/j.jorganchem.2024.123475","url":null,"abstract":"<div><div>The title compounds were prepared upon reaction of BAr’<sub>4</sub><sup>−</sup> salts of the known cations [M<sub>2</sub>Cp<sub>2</sub>(<em>μ</em>-PR<sub>2</sub>)(CO)<sub>2</sub>(NO)<sub>2</sub>]<sup>+</sup> (M = Mo, W; R = Cy, <em><sup>t</sup></em>Bu; Ar’ = 3,5-C<sub>6</sub>H<sub>3</sub>(CF<sub>3</sub>)<sub>2</sub>), with commercial Me<sub>3</sub>NO·2H<sub>2</sub>O in fluorobenzene solution at 273 K, this promoting decarbonylation and cyclopentadienyl deprotonation to yield complexes with cyclopentadienylidene ligands bridging the metal centres (W−W = 2.9917(5) Å when R = Cy). The use of dichloromethane as solvent, however, triggered a competitive chloride abstraction reaction by the Mo compounds that yielded the chloride complexes [Mo<sub>2</sub>Cp<sub>2</sub>Cl(<em>μ</em>-PR<sub>2</sub>)(CO)(NO)<sub>2</sub>], specifically formed with an <em>anti</em> disposition of the Cp ligands relative to the Mo<sub>2</sub>P plane, and <em>cis</em> positioning of carbonyl and chloride ligands relative to the P atom (Mo−Cl = 2.336(4) Å when R = <em><sup>t</sup></em>Bu). Protonation of the cyclopentadienylidene-bridged complexes with [H(OEt<sub>2</sub>)<sub>2</sub>](BAr’<sub>4</sub>) yielded the BAr’<sub>4</sub><sup>−</sup> salts of the dicyclopentadienyl cations [M<sub>2</sub>Cp<sub>2</sub>(<em>μ</em>-<em>κ:η</em>-NO)(<em>μ</em>-PR<sub>2</sub>)(CO)(NO)]<sup>+</sup> (Mo−Mo = 3.1027(2) Å when R = <em><sup>t</sup></em>Bu; W−W = 3.0446(7) Å when R = Cy), which display bridging nitrosyl ligands in the rare linear <em>end-on:side-on</em> coordination mode, and are kinetic rather than thermodynamic products, according to density functional theory calculations. When using HBF<sub>4</sub>·OEt<sub>2</sub> as protonation reagent on the P<em><sup>t</sup></em>Bu<sub>2</sub>-bridged complexes, however, coordination of the external anion (in the <em>κ</em><sup>1</sup>-mode) also takes place, to yield the tetrafluoroborate complexes [M<sub>2</sub>Cp<sub>2</sub>(<em>κ</em><sup>1</sup>-BF<sub>4</sub>)(<em>μ</em>-P<em><sup>t</sup></em>Bu<sub>2</sub>)(CO)(NO)<sub>2</sub>] as unique (Mo) or major (W) products. Methylation of the same cyclopentadienylidene complexes with [Me<sub>3</sub>O](BF<sub>4</sub>) was only observed for the tungsten cation, and took place specifically at the O atom of one nitrosyl ligand to give [W<sub>2</sub>Cp(<em>μ</em>-<em>κ:η</em><sup>5</sup>-C<sub>5</sub>H<sub>4</sub>)(NOMe)(<em>μ</em>-P<em><sup>t</sup></em>Bu<sub>2</sub>)(CO)(NO)](BF<sub>4</sub>), a complex displaying a linear methoxyimido ligand (W−N = 1.746(4) Å; W−N−O = 163.5(4)<sup>o</sup>).</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1025 ","pages":"Article 123475"},"PeriodicalIF":2.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138872","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The effective role of reusable Mn(III) Schiff‐base nano-catalyst in carrying out Chromene & Biginelli reactions under eco-friendly conditions","authors":"Mahboobeh-Sadat Mashhoori, Reza Sandaroos","doi":"10.1016/j.jorganchem.2024.123486","DOIUrl":"10.1016/j.jorganchem.2024.123486","url":null,"abstract":"<div><div>The development of efficient and recyclable catalysts is crucial for sustainable organic synthesis. A magnetic heterogeneous catalyst containing Mn(III) Schiff base covalently attached to Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub> nanoparticles through imidazolium linker [Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>-S-Im(Br)-SB-Mn(III)] was synthesized. The prepared nano-catalyst was characterized using various analytical methods (FT-IR, EDX, SEM, TEM, XRD, VSM, TGA, ICP-OES, and AAS). The efficiency of the nano-catalyst was investigated in the Chromene & Biginelli reactions using a one-pot three-component synthesis of 2-amino-tetrahydro-4<em>H</em>-chromene-3-carbonitrile and 3,4-dihydropyrimidine-2(1<em>H</em>)-ones/thiones derivatives. The catalyst was found to be highly efficient in the synthesis of these derivatives in water and solvent-free conditions. The results demonstrated that the products were synthesized with excellent yields (98 %) within 5–10 min under very mild conditions. The nano-catalyst was re-used for eight consecutive cycles without any significant loss of catalytic activity.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1025 ","pages":"Article 123486"},"PeriodicalIF":2.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138896","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xiaoli Li, Mengyao He, Rui Liu, Song Guo, Yuanli Liu
{"title":"Rational design of chloride-based ionic iridium(III) complex to construct phosphorescent nanoparticles for cancer cell imaging","authors":"Xiaoli Li, Mengyao He, Rui Liu, Song Guo, Yuanli Liu","doi":"10.1016/j.jorganchem.2024.123485","DOIUrl":"10.1016/j.jorganchem.2024.123485","url":null,"abstract":"<div><div>In the process of cancer cell proliferation and metastasis, folate receptors (FRα, FRβ, and FRγ) play a facilitating role. More importantly, folate receptor, especially FRα, is expressed less in normal tissues but overexpressed in tumor tissues, making it a promising target for anticancer therapy. As a result, various probes targeting FRα have been developed for tumor detection. In this study, a new chloride-based ionic phosphorescent iridium(III) complex is rationally designed and synthesized, and then the phosphorescent nanoparticle (Ir NPs) is prepared by co-precipitation of iridium(III) complex with DSPE-PEG<sub>2000</sub> and DSPE-PEG<sub>2000</sub>-FA, possessing the following advantages: good water solubility, exceptional biocompatibility, favorable surface properties, and excellent phosphorescence properties. Because of these advantages, Ir NPs are exceptionally suitable for biological application. Finally, cellular imaging, as a form of biological application, has been fully investigated. The results show that DSPE-PEG<sub>2000</sub>-FA can effectively recognize the over-expressed FRα on the surface of various cells, such as KB and MDA-MB-231 cells. We believe that the Ir NPs could be used as a promising phosphorescent probe for selective biological imaging.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1025 ","pages":"Article 123485"},"PeriodicalIF":2.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138897","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Lokesh Kumar S , Sankar Ganesh Ramaraj , Sumaiya Tabassum , Sony J. Chundattu , Santhosh Govindaraju
{"title":"Catalytic potential of fluorescein under visible light irradiation: Enabling single-pot open flask synthesis of novel pyrazolyl methanesulfonamides","authors":"Lokesh Kumar S , Sankar Ganesh Ramaraj , Sumaiya Tabassum , Sony J. Chundattu , Santhosh Govindaraju","doi":"10.1016/j.jorganchem.2024.123476","DOIUrl":"10.1016/j.jorganchem.2024.123476","url":null,"abstract":"<div><div>This groundbreaking study introduces a novel and efficient method for synthesizing a range of substituted pyrazolyl methanesulfonamides through a five-component cyclocondensation reaction. This reaction incorporates five different components, such as ethyl acetoacetate, hydrazine, dimedone, benzaldehydes, substituted phenyl acetonitriles, and methyl sulfonyl chloride was made to react under visible light irradiation, with fluorescein serving as an effective catalyst and ethanol as solvent for 30 mintues. This method offers significant advantages, including simplified handling, higher yields of target products with shorter reaction times, and easier purification processes. We successfully synthesized around 15 novel pyrazolyl methanesulfonamide derivatives with high efficiency. Comprehensive spectral characterization confirmed the structural integrity and purity of these derivatives, demonstrating the robustness and versatility of this approach. Facilitated by visible light and utilizing fluorescein as a bio-friendly catalyst, this methodology is both green and sustainable. This innovative approach not only streamlines the synthesis of pyrazolyl methanesulfonamides but also holds considerable promise for advancing research and applications in fields such as medicinal chemistry and materials science.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1025 ","pages":"Article 123476"},"PeriodicalIF":2.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138857","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A novel and green approach for the synthesis of copper nanoparticles and their applications in reduction of nitroarenes and degradation of organic dyes","authors":"Babak Kaboudin , Bahman Burunli , Mahdi Nazerian , Tianjian Zhang , Yanlong Gu","doi":"10.1016/j.jorganchem.2024.123477","DOIUrl":"10.1016/j.jorganchem.2024.123477","url":null,"abstract":"<div><div>Copper nanoparticles (Cu-NPs) were synthesized using a complex of copper with β-cyclodextrin (Cu<sub>2</sub>-<em>β</em>-CD) by the hydrothermal method in an aqueous solution. The synthesis proceeded without adding any additives such as reducing agents. The structural characterization of copper nanoparticles has been carried out by scanning electron microscopy (SEM) images, EDS, XRD, and TGA analysis. Application of the catalytic activity of the obtained Cu-NPs was performed for the reduction of nitroaromatic compounds. A catalytic degradation of Methylene Blue and Methyl Orange solutions in the presence of Cu-NPs was also studied in order to examine the nanoparticles influence on degradation.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1025 ","pages":"Article 123477"},"PeriodicalIF":2.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138865","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pambingal Rajan Sruthi , Sivan Malini , Sasi Silpa , Saithalavi Anas
{"title":"A novel reusable polymer supported palladium catalyst for Heck reaction","authors":"Pambingal Rajan Sruthi , Sivan Malini , Sasi Silpa , Saithalavi Anas","doi":"10.1016/j.jorganchem.2024.123452","DOIUrl":"10.1016/j.jorganchem.2024.123452","url":null,"abstract":"<div><div>With the rapid development of “green” chemistry; researchers are highly interested towards more sustainable approaches and prefer to choose eco-friendly synthetic routes and materials. This paper deals with the development of a novel reusable heterogeneous palladium catalyst for Heck reaction. The catalyst (<strong>mPAN-Pd</strong>) was developed by a simple procedure <em>via</em> synthetic modification of polyacrylonitrile (PAN) with monoethanolamine (MEA) followed by complexation with palladium chloride (PdCl<sub>2</sub>). After detailed characteristic studies, the catalytic efficiency of <strong>mPAN-Pd</strong> in Heck coupling reaction was systematically evaluated and optimised the reaction condition through a set of experiments. This heterogeneous catalytic system was found be applicable over a series of aryl halides and terminal alkenes leading to corresponding coupling products in good yields. Furthermore, this catalyst offers easy recyclability by simple filtration and reused for at least 5 cycles of Heck reaction without losing much of its activity.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1025 ","pages":"Article 123452"},"PeriodicalIF":2.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138867","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Song Pan, Chong Chen, Qing-Wen Liang, Ai-Quan Jia, Qian-Feng Zhang
{"title":"Synthesis, structures and photocatalytic properties of two binuclear sulfur-bridged cymene-ruthenium fluorodithiophosphates","authors":"Song Pan, Chong Chen, Qing-Wen Liang, Ai-Quan Jia, Qian-Feng Zhang","doi":"10.1016/j.jorganchem.2024.123481","DOIUrl":"10.1016/j.jorganchem.2024.123481","url":null,"abstract":"<div><div>A binuclear complex [(<em>η<sup>6</sup></em>-<em>p</em>-cymene)<sub>2</sub>Ru<sub>2</sub>Cl<sub>2</sub>(S<sub>2</sub>POF)] (<strong>1</strong>) was generated by combining a binuclear ruthenium precursor [(<em>η<sup>6</sup></em>-<em>p</em>-cymene)RuCl<sub>2</sub>]<sub>2</sub> with an equivalent amount of [N<sup>n</sup>Pr<sub>4</sub>]<sub>2</sub>[S<sub>5</sub>P<sub>2</sub>F<sub>2</sub>] in dichloromethane at room temperature. Treatment of [(<em>η<sup>6</sup></em>-<em>p</em>-cymene)RuCl<sub>2</sub>]<sub>2</sub> with two equivalents of [N<sup>n</sup>Pr<sub>4</sub>]<sub>2</sub>[S<sub>5</sub>P<sub>2</sub>F<sub>2</sub>] in dichloromethane at reflux in the presence of AgNO<sub>3</sub> led to isolation of a binuclear ruthenium complex [(<em>η<sup>6</sup></em>-<em>p</em>-cymene)Ru(S<sub>2</sub>POF)]<sub>2</sub> (<strong>2</strong>). Complexes <strong>1</strong> and <strong>2</strong> were characterized by IR, <em>multi</em>-NMR (<sup>1</sup>H, <sup>31</sup>P, <sup>19</sup>F) and UV–vis spectroscopies. The structures of complexes <strong>1</strong> and <strong>2</strong> have been established by single-crystal X-ray crystallography. In addition, the photocatalytic properties of complex <strong>2</strong> for hydrogen production from water splitting under visible light were also investigated.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1025 ","pages":"Article 123481"},"PeriodicalIF":2.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143139405","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"One-pot sustainable synthesis of novel pyrido[2,3-d]pyrimidinones and their evaluation for antitubercular and anticancer activity","authors":"Sumaiya Tabassum , Sankar Ganesh Ramaraj , J. Rajprasad , Vivekananthan Sadaiyandi , Niraj Kumar , Santhosh Govindaraju","doi":"10.1016/j.jorganchem.2024.123450","DOIUrl":"10.1016/j.jorganchem.2024.123450","url":null,"abstract":"<div><div>A novel green protocol for the construction of diversified pyrido[2,3-<em>d</em>]pyrimidinones was accomplished by a single-pot reaction of aryl aldehydes, Meldrum's acid, thiobarbituric acid, and ammonium acetate/aniline in H<sub>2</sub>O using ʟ-proline as an expeditious reusable catalyst at room temperature (26 °C). Our strategy provides an innovative synthetic avenue for the construction of pyrido[2,3-<em>d</em>]pyrimidinones, as well as several advantages over traditional methods, including a simple procedure, shorter reaction duration, excellent yields, safe handling, easy workup, catalyst recovery, and environmental compatibility. Furthermore, the synthesised compounds were tested for their impact on different cell lines and microorganisms. Compounds 5d and 5e were particularly effective against Mycobacterium tuberculosis (antitubercular), human breast cancer cells (MCF-7), lung cancer cells (A549 and NCI-H460), and both Gram-positive (S. pyogenes) and Gram-negative (E. coli) bacteria. The derivatives with hydroxyl and nitro substitutions [5e, 5f] showed the highest potency against MCF-7, A549, and NCI-H460 cell lines, with IC<sub>50</sub> values of 3.68–4.36, 3.82–3.41, and 11.34–12.28 µg/mL, respectively.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1025 ","pages":"Article 123450"},"PeriodicalIF":2.1,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}