Research on Chemical Intermediates最新文献

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Effects of electron donating and withdrawing substituents on crystal structures, cytotoxicity and in silico DNA interactions of isatinoxime Schiff base ligands 给电子和吸电子取代基对异烟酰肟席夫碱配体晶体结构、细胞毒性和硅DNA相互作用的影响
IF 2.8 3区 化学
Research on Chemical Intermediates Pub Date : 2025-01-13 DOI: 10.1007/s11164-024-05464-6
Tolga Göktürk, Ramazan Güp, Talip Zengin, Tuncer Hökelek, Ebru Nur Aksu, Fatma Selenay Öztürk, Mustafa Toraman, Osman Durak, Selma Taş, Esin Sakallı Çetin
{"title":"Effects of electron donating and withdrawing substituents on crystal structures, cytotoxicity and in silico DNA interactions of isatinoxime Schiff base ligands","authors":"Tolga Göktürk,&nbsp;Ramazan Güp,&nbsp;Talip Zengin,&nbsp;Tuncer Hökelek,&nbsp;Ebru Nur Aksu,&nbsp;Fatma Selenay Öztürk,&nbsp;Mustafa Toraman,&nbsp;Osman Durak,&nbsp;Selma Taş,&nbsp;Esin Sakallı Çetin","doi":"10.1007/s11164-024-05464-6","DOIUrl":"10.1007/s11164-024-05464-6","url":null,"abstract":"<div><p>We report a new series of isatin-oxime-based Schiff base derivatives (p–H, p–Cl, p–CH<sub>3</sub>). Structural analyses of the compounds were conducted through FTIR, <sup>1</sup>H NMR, UV–Vis, and elemental analyses. X-ray crystallography demonstrated that compounds <b>1</b> and <b>2</b> adopted an orthorhombic crystal system with a <i>P bca</i> space group. Hirshfeld surface (HS) analysis indicated that hydrogen bonding and van der Waals interactions were predominant in the crystal packing. The volumes of the crystal voids and the percentages of free spaces in the unit cells were calculated as 293.87 Å<sup>3</sup> and 10.63% (for <b>1)</b>, 320.34 Å<sup>3</sup> and 11.04% (for <b>2)</b>, respectively. The evaluations of energy frameworks showed that stabilization was dominated by electrostatic energy contributions in compounds. In silico investigations on the DNA binding activity showed that the binding activity of the compounds was mediated via intercalation. The anticancer activity of the compounds was also tested <i>via</i> an MTT assay using HepG2 (liver cancer), Caco-2 (colorectal adenocarcinoma), A549 (lung cancer) and HEK-293 (normal cell) cell lines. The MTT assay demonstrated significant cytotoxic activity of compound <b>1</b> across HepG2, Caco-2, A549, and HEK-293 cell lines, with IC<sub>50</sub> values of 5.07 µM, 5.19 µM, 4.01 µM, and 5.63 µM, respectively, after 24 h, surpassing cisplatin in efficacy at all tested time intervals. The data indicate that substituents play a significant role in modulating cytotoxicity, with compound <b>1</b> (p–H) demonstrating the highest activity. These findings demonstrate the high cytotoxicity and cancer cell selectivity of isatin-oxime-based Schiff base derivatives, especially compound <b>1</b>, suggesting their potential as strong alternatives to traditional chemotherapy agents.</p></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 1","pages":"433 - 457"},"PeriodicalIF":2.8,"publicationDate":"2025-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994586","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}
引用次数: 0
The photocatalytic hydrogen production performance of porous titanium dioxide, a derivative of Mil-125 (Ti), improved by using lignin-based carbon quantum 木质素基碳量子提高了Mil-125 (Ti)衍生物多孔二氧化钛的光催化制氢性能
IF 2.8 3区 化学
Research on Chemical Intermediates Pub Date : 2024-12-11 DOI: 10.1007/s11164-024-05467-3
Kai Zhang, XuDong Zhu, Hong Yan
{"title":"The photocatalytic hydrogen production performance of porous titanium dioxide, a derivative of Mil-125 (Ti), improved by using lignin-based carbon quantum","authors":"Kai Zhang,&nbsp;XuDong Zhu,&nbsp;Hong Yan","doi":"10.1007/s11164-024-05467-3","DOIUrl":"10.1007/s11164-024-05467-3","url":null,"abstract":"<div><p>Carbon points in lignin were prepared by hydrothermal method at 180 °C for 12 h. Carbon points with diameters of 1–5 nm were observed by transmission electron microscopy. The prepared lignin carbon point solution was put into the synthesis system of Mil-125(Ti) derivative porous titanium dioxide (M–TiO<sub>2</sub>) with 10, 15 and 20 mL, respectively, at 150 °C and 48 h to obtain CQDs/M–TiO<sub>2</sub> composite photocatalyst series. Through a series of characterization and analysis of its structure and morphology, it is proved that the carbon point is successfully recombined with Mil-125(Ti) derivative porous titanium dioxide (M–TiO<sub>2</sub>). Through ultraviolet–visible-near-infrared diffuse reflection and flat band potential analysis, we determined that CQDs can improve the light absorption range of porous titanium dioxide (M–TiO<sub>2</sub>), a derivative of Mil-125(Ti), and calculated the band structure of the material. It is proved that CQDs and Mil-125(Ti) derivative porous titanium dioxide(M–TiO<sub>2</sub>) constitute a type I heterojunction. Photoelectrochemical analysis shows that CQDs/M–TiO<sub>2</sub> composite catalyst has better separation and transport efficiency than M–TiO<sub>2</sub> photogenerated electrons and holes. The photocatalytic hydrogen production activity test at a wavelength of &gt; 380 nm showed that the hydrogen production rate of CQDs-15/M–TiO<sub>2</sub> composite reached 6715 μmol/h g, which was 5.6 times that of M–TiO<sub>2</sub> alone (1200 μmol/h g).</p></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 1","pages":"25 - 41"},"PeriodicalIF":2.8,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994449","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}
引用次数: 0
18-crown-6 complex cation ionic liquid as an efficient catalyst for the synthesis of 3,4-dihydropyrimidin-2(1H)-one under solvent free condition 18-冠-6配合物阳离子离子液体在无溶剂条件下催化合成3,4-二氢嘧啶-2(1H)- 1
IF 2.8 3区 化学
Research on Chemical Intermediates Pub Date : 2024-12-03 DOI: 10.1007/s11164-024-05462-8
Ramesh Mokal, Gopinath Shirole, Vilas Vane, Suresh Jadhavar
{"title":"18-crown-6 complex cation ionic liquid as an efficient catalyst for the synthesis of 3,4-dihydropyrimidin-2(1H)-one under solvent free condition","authors":"Ramesh Mokal,&nbsp;Gopinath Shirole,&nbsp;Vilas Vane,&nbsp;Suresh Jadhavar","doi":"10.1007/s11164-024-05462-8","DOIUrl":"10.1007/s11164-024-05462-8","url":null,"abstract":"<div><p>An efficient method has been developed for the Biginelli synthesis of 3,4-dihydropyrimidin-2(1<i>H</i>)-one analogues by three component reaction of aryl aldehyde, aceto acetic ester and urea/thiourea under the influence of catalytic amount of Crown Ether Complex Cation Ionic Liquid (CECIL) [18-C-6 K]<sub>2</sub>[CO<sub>3</sub>] under solvent free reaction. This crucial Biginelli transformation in combination with [18-C-6 K]<sub>2</sub>[CO<sub>3</sub>] catalytic material are offered many advantages for the world of synthetic organic chemistry such as ecofriendly approach, simple thermal condition, easy workup procedure, without use of toxic organic solvents, short reaction time and good yield of the products.</p><h3>Graphical abstract</h3><p>Synthesis of 3,4-dihydropyrimidin-2(1<i>H</i>)-one derivatives using [18-C-6 K]<sub>2</sub>[CO<sub>3</sub>]</p>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 1","pages":"475 - 487"},"PeriodicalIF":2.8,"publicationDate":"2024-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994747","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}
引用次数: 0
Optimizing homologous alcohol oxidation: elucidating the impact of surfactant-alcohol hydrophobic interaction and micellar surface charge 优化同源醇氧化:阐明表面活性剂-醇疏水相互作用和胶束表面电荷的影响
IF 2.8 3区 化学
Research on Chemical Intermediates Pub Date : 2024-12-02 DOI: 10.1007/s11164-024-05461-9
Mousumi Layek, Sandip Kundu, Priya Karmakar, Sk Mehebub Rahaman, Trishna Mandal, Arnab Patra, Arindam Nandy, Manab Chakravarty, Pintu Sar, Bidyut Saha
{"title":"Optimizing homologous alcohol oxidation: elucidating the impact of surfactant-alcohol hydrophobic interaction and micellar surface charge","authors":"Mousumi Layek,&nbsp;Sandip Kundu,&nbsp;Priya Karmakar,&nbsp;Sk Mehebub Rahaman,&nbsp;Trishna Mandal,&nbsp;Arnab Patra,&nbsp;Arindam Nandy,&nbsp;Manab Chakravarty,&nbsp;Pintu Sar,&nbsp;Bidyut Saha","doi":"10.1007/s11164-024-05461-9","DOIUrl":"10.1007/s11164-024-05461-9","url":null,"abstract":"<div><p>Micelles, a unique structural arrangement, function as nano-dimensional vessels in organic reactions, facilitating numerous catalytic transformations in water. This comprehensive study aims to explore the potential impact of two anionic surfactants (sodium dodecylsulphate or SDS or SC<sub>12</sub>S and sodium tetradecylsulphate or STS or SC<sub>14</sub>S) having dissimilar alkyl chain lengths and the hydrophobicity of the aliphatic alcohols (propanol and pentanol) as well on the overall kinetic profile of the oxidation study. The SDS micellar medium significantly encourages the reaction rate compared to STS micellar media. In the case of aliphatic alcohols with varying hydrophobicity, the same kind of rate is observed as with surfactants: (<i>k</i><sub>obs</sub>)<sub>SDS-Propanol</sub> ~ 13-<i>folds</i> &gt; (<i>k</i><sub>obs</sub>)<sub>SDS-Pentanol</sub> ~ 11-<i>folds</i> &gt; (<i>k</i><sub>obs</sub>)<sub>STS-Propanol</sub> ~ 2.4-<i>folds</i> &gt; (<i>k</i><sub>obs</sub>)<sub>STS-Pentanol</sub> ~ 2-<i>folds.</i> The rate of the reaction improves as the aliphatic alcohol and surfactant hydrophobicity reduces. Herein, the effectiveness of micellar catalysis is greatly influenced by the surface charge of the micelle and surfactant-alcohol hydrophobic interaction. The kinetic observations are elucidated with conductometry, fluorometry, UV–Vis spectroscopy, FT-IR, <sup>1</sup>H-NMR, DLS, FESEM, TEM, and Zeta potential analysis. The Piszkiewicz’s kinetic model has also been applied to enlighten the linear rate acceleration in both micellar media.</p></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 1","pages":"311 - 330"},"PeriodicalIF":2.8,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994431","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}
引用次数: 0
Effect of precursor structure mediated by phthalic acid on the structure and properties of CN 邻苯二甲酸介导的前驱体结构对CN结构和性能的影响
IF 2.8 3区 化学
Research on Chemical Intermediates Pub Date : 2024-12-02 DOI: 10.1007/s11164-024-05460-w
Qingbo Yu, Xianhua Li
{"title":"Effect of precursor structure mediated by phthalic acid on the structure and properties of CN","authors":"Qingbo Yu,&nbsp;Xianhua Li","doi":"10.1007/s11164-024-05460-w","DOIUrl":"10.1007/s11164-024-05460-w","url":null,"abstract":"<div><p>The dicyandiamide/phthalic acid (DCDA/PA) precursor with molecular assembly strategy was prepared by hydrothermal treatment the mixture of dicyandiamine and phthalic acid, in which some of the amines were bound by phthalic acid through hydrogen bonding interactions, and the carbon nitride (CN) photocatalyst was further prepared by thermal polymerization. The results showed that the new chemical structure formed by the interaction of melamine cyanurate and phthalic acid through hydrogen bonding could hinder the intermolecular collision chances during the calcination process of DCDA/PA precursor, which made the polymerization reaction difficult to be carried out, and the CN photocatalysts with irregular layered stacking structure were formed. In addition, the presence of more amino groups in the CN-0.3 structure can effectively improve the separation efficiency of its photogenerated charge carriers, and after simulated visible light irradiation for 60 min, the photocatalytic activity presented by CN-0.3 for MB was 2.72 times higher than that of pristine g-C<sub>3</sub>N<sub>4</sub>.</p></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 1","pages":"459 - 473"},"PeriodicalIF":2.8,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994500","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}
引用次数: 0
Ethane-to-aromatics conversion over gallium-modified FAU zeolite: a two-layer ONIOM theoretical study 镓改性FAU沸石上乙烷-芳烃转化:两层onionm理论研究
IF 2.8 3区 化学
Research on Chemical Intermediates Pub Date : 2024-12-02 DOI: 10.1007/s11164-024-05463-7
Yiwen Fang, Yingxin Sun, Sheng Han, Qianggen Li
{"title":"Ethane-to-aromatics conversion over gallium-modified FAU zeolite: a two-layer ONIOM theoretical study","authors":"Yiwen Fang,&nbsp;Yingxin Sun,&nbsp;Sheng Han,&nbsp;Qianggen Li","doi":"10.1007/s11164-024-05463-7","DOIUrl":"10.1007/s11164-024-05463-7","url":null,"abstract":"<div><p>The catalytic performance of gallium-modified FAU (Ga-FAU) zeolite on the ethane-to-aromatics (ETA) process was studied by a two-layer ONIOM (our Own N-layered Integrated molecular Orbital and molecular Mechanics) method implemented in Gaussian software. The whole ETA mechanism includes two pathways: ethane dehydrogenation to ethylene and ethylene aromatization. Four different Ga models ([GaH<sub>2</sub>]<sup>+</sup>, [GaH]<sup>2+</sup>, [GaO]<sup>+</sup>, and Ga<sup>+</sup>) have been used over the Ga-FAU zeolite. For the ethane dehydrogenation, the order of reactivity is [GaH]<sup>2+</sup> &gt; [GaH<sub>2</sub>]<sup>+</sup> &gt; [GaO]<sup>+</sup> &gt; Ga<sup>+</sup>. We selected the [GaH<sub>2</sub>]<sup>+</sup> site to study the ethylene aromatization. On the [GaH<sub>2</sub>]<sup>+</sup> model, the ethane dehydrogenation could take place through both the stepwise pathway (three steps) and the concerted pathway. The three-step pathway is more favorable than the concerted pathway. The rate-determining step of ethylene aromatization is the dehydrogenation of cyclohexene cation. The ethylene aromatization proceeds more slowly than the ethane dehydrogenation due to the higher energy barrier, and thus, the ethylene molecule should be the major product in the whole ETA process on Ga-FAU. The differential charge density (DCD), reduced density gradient (RDG), and local orbital locator (LOL) were employed to analyze the direction of electron migration and the nature of interactions in different TS fragments. The RDG analysis suggests that except for attractive force, there is strong spatial repulsive interaction between fragments that are close in distance, especially in organic carbon ring. The LOL maps indicate that partial covalent interactions often exist in the region where the chemical bonds are forming or breaking. The DCD plots reveal the variation of electron densities of different TS fragments. The electrons always migrate from the fragments with the negative DCD values to the fragments with the positive DCD values.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 1","pages":"331 - 366"},"PeriodicalIF":2.8,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994432","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}
引用次数: 0
The regioselectivity in the gold-catalyzed cycloisomerization of alcohols: a full DFT study on carbene versus non-carbene mechanisms 金催化醇环异构化的区域选择性:对碳烯与非碳烯机理的全DFT研究
IF 2.8 3区 化学
Research on Chemical Intermediates Pub Date : 2024-11-30 DOI: 10.1007/s11164-024-05459-3
Hossein Tavakol, Yin Wei, Min Shi
{"title":"The regioselectivity in the gold-catalyzed cycloisomerization of alcohols: a full DFT study on carbene versus non-carbene mechanisms","authors":"Hossein Tavakol,&nbsp;Yin Wei,&nbsp;Min Shi","doi":"10.1007/s11164-024-05459-3","DOIUrl":"10.1007/s11164-024-05459-3","url":null,"abstract":"<div><p>The mechanistic study of the gold-catalyzed cycloisomerization of alcohols or amine tethered-vinylidenecyclopropanes has been performed using high-level DFT calculations to find the reasons for the observed selectivity of the products. Two possible pathways were observed, in the first product, during the cyclization process, the vinylidenecyclopropane moiety converts to methylidenecyclopropane-containing product (P1) via an ionic (non-carbene) intermediate, and in the second product, converts to cyclobutene-containing product (P2) via a carbene intermediates. In all six examined derivatives (containing different alkyl groups at C1 allenic carbon) P2 was the major product by both thermodynamic (the more stability of P1 than P2) and kinetic (the smaller barrier for producing P2 versus P1) criteria in both gas phase and solvent (THF, using PCM model) media. However, in the derivatives with low-strain allenic group (R), I1 (which leads to P1) is more stable than I3 intermediates (which leads to P2) by 0.6–4.2 kcal/mol in the gas phase and 1.0–3.1 kcal/mol in the solvent and the derivatives with high-strain allenic group, I3 is more stable than I1 by 2.1–2.5 kcal/mol in the gas phase and 3.5–4.2 kcal/mol in the solvent. Therefore, both gas phase and solvent data show that because of the different hindrance between the alkyl group and gold cation complex, the selectivity of the reaction is yielded by the favorability of I1 or I3 intermediates. Interestingly, another evidence was provided by atomic charges in the reactants using NBO calculations. These calculations showed that when the atomic charge of C1 allenic carbon was higher than C3, the gold cation prefers to produce I1, leading to P1, and when the atomic charge of C3 allenic carbon was higher than C1, the gold cation prefers to produce I2, leading to P2.</p></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 1","pages":"295 - 309"},"PeriodicalIF":2.8,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142995790","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}
引用次数: 0
Design of TiO2-mesoporous silica composite photocatalysts and their application to water purification under irradiation of UV and visible light 二氧化钛-介孔二氧化硅复合光催化剂的设计及其在紫外和可见光下的水净化应用
IF 2.8 3区 化学
Research on Chemical Intermediates Pub Date : 2024-11-29 DOI: 10.1007/s11164-024-05458-4
Takashi Kamegawa, Yoshitsugu Maitani
{"title":"Design of TiO2-mesoporous silica composite photocatalysts and their application to water purification under irradiation of UV and visible light","authors":"Takashi Kamegawa,&nbsp;Yoshitsugu Maitani","doi":"10.1007/s11164-024-05458-4","DOIUrl":"10.1007/s11164-024-05458-4","url":null,"abstract":"<div><p>Design of TiO<sub>2</sub> photocatalyst and mesoporous silica composites were carried out for application to water purification. Two different types of precursors (titanium ammonium oxalate and ammonium hexafluorotitanate) for anchoring of TiO<sub>2</sub> on mesoporous silica were adopted for comparative studies to show the roles of chemical constituents in both precursors. In the utilization of ammonium hexafluorotitanate, hydrophobic nature on the surface of mesoporous silica as well as the high crystallinity and visible light absorption performance of TiO<sub>2</sub> were achieved by the co-existence of fluorine and nitrogen during the decomposition of precursors to TiO<sub>2</sub> at elevated temperature. Based on these fascinating functions of composite photocatalyst, good photocatalytic activity was realized in the degradation of phenol in water under UV light (λ &gt; 290 nm) irradiation. This composite photocatalyst also exhibited photocatalytic activity even under visible light (λ &gt; 420 nm) irradiation.</p></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 1","pages":"183 - 194"},"PeriodicalIF":2.8,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142995864","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}
引用次数: 0
Direct synthesis and catalytic activity of oxazole derivative copper II complex encapsulated in zeolite from rice husk 稻壳沸石包封恶唑衍生物铜的直接合成及催化活性研究
IF 2.8 3区 化学
Research on Chemical Intermediates Pub Date : 2024-11-28 DOI: 10.1007/s11164-024-05446-8
Karam S. El-Nasser, Ebtsam K. Alenezy, Ahmed I. Hanafy, Mohamed S. Massoud, Hossam Donya, Ahmed A. El‐Henawy, Tarek M. Salama, Ibraheem O. Ali
{"title":"Direct synthesis and catalytic activity of oxazole derivative copper II complex encapsulated in zeolite from rice husk","authors":"Karam S. El-Nasser,&nbsp;Ebtsam K. Alenezy,&nbsp;Ahmed I. Hanafy,&nbsp;Mohamed S. Massoud,&nbsp;Hossam Donya,&nbsp;Ahmed A. El‐Henawy,&nbsp;Tarek M. Salama,&nbsp;Ibraheem O. Ali","doi":"10.1007/s11164-024-05446-8","DOIUrl":"10.1007/s11164-024-05446-8","url":null,"abstract":"<div><p>Several copper (II) complexes derived from organic ligands [benzo[b]oxazole] acetonitrile] within the intracrystalline structure of ZSM-5 (Si/Al = 38) through direct synthesis under autogenous pressure are reported. Cu<sup>II</sup>-BOA/ZSM-5 complexes were characterized by elemental analysis, XRD, FT-IR, UV–Vis, DTA/TGA, and N<sub>2</sub> adsorption. XRD patterns of the encapsulated complexes suggest that the zeolite framework has not collapsed during encapsulation. Until the crystallinity reaches 0.05 Cu<sup>II</sup>-BOA/Z, the crystallinity rises monotonically, followed by a decrease as the complex concentration increases. Additionally, the encapsulated copper (II) complex reduced both its surface area and pore volume relative to the parent zeolite, suggesting that the Cu<sup>II</sup>-BOA complex is encapsulated inside it. Among the catalysts examined, encapsulated-0.05Cu<sup>II</sup>-BOA/Z showed maximum conversion (26%) and selectivity (90%) toward phenol. Density functional theory (B3LYP-6-31G(d)) was performed to study the effect of the interaction mode of complex with zeolite. The NLOs manners were elucidated via 1st and 2nd hyper polarizabilities. The charge transport mechanism was anticipated using ionization potential (IP) and bond dissociation enthalpy (BDE), which were subsequently employed to examine the autoxidation characteristics.</p></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"51 1","pages":"235 - 264"},"PeriodicalIF":2.8,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142995743","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}
引用次数: 0
Highly efficient and recyclable Co/NiMoO₄ catalyst for hydrogen production via sodium borohydride hydrolysis 高效可回收的Co/NiMoO₄硼氢化钠水解制氢催化剂
IF 2.8 3区 化学
Research on Chemical Intermediates Pub Date : 2024-11-27 DOI: 10.1007/s11164-024-05457-5
Mehmet Yurderi
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