Research on Chemical Intermediates最新文献

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ESIPT performance bis-Schiff base for multifunctional detection of Pb2+, Mg2+ and Al3+ ions through “turn-on” response and its biological application 通过 "开启 "响应实现 Pb2+、Mg2+ 和 Al3+ 离子多功能检测的 ESIPT 性能双希夫碱及其生物应用
IF 3.3 3区 化学
Research on Chemical Intermediates Pub Date : 2024-09-02 DOI: 10.1007/s11164-024-05386-3
Lu Li, Jianing Zhao, Chengwei Lü
{"title":"ESIPT performance bis-Schiff base for multifunctional detection of Pb2+, Mg2+ and Al3+ ions through “turn-on” response and its biological application","authors":"Lu Li, Jianing Zhao, Chengwei Lü","doi":"10.1007/s11164-024-05386-3","DOIUrl":"https://doi.org/10.1007/s11164-024-05386-3","url":null,"abstract":"<p>Benzothiazole, hydrazine/ammonia and salicylaldehyde were selected as basic unit for constructing of bis-Schiff base molecules with excited state intramolecular proton transfer (ESIPT) property. Herein, “turn-on” fluorescent performance and highly sensitive multifunctional fluorescence probes were developed to stably and efficiently detect Pb<sup>2+</sup>, Mg<sup>2+</sup> and Al<sup>3+</sup> in biological and environmental samples. Among them, BF-SJ could distinguish Pb<sup>2+</sup> and Mg<sup>2+</sup> ions under different pH conditions, while BF-SO could separate Pb<sup>2+</sup> and Al<sup>3+</sup> by different emission wavelength. More important, target ions could be distinguished by naked eyes with color change of solution under sun light and ultraviolet lamp. The LOD values of BF-SJ and BF-SO for Pb<sup>2+</sup>/Mg<sup>2+</sup> and Pb<sup>2+</sup>/Al<sup>3+</sup> were as low as 31.23 μM, 25.95 μM, 59.57 μM and 1.38 μM, respectively. Ideally, they showed low cytotoxicity and were successfully used for imaging of exogenous Pb<sup>2+</sup>/Mg<sup>2+</sup> and Pb<sup>2+</sup>/Al<sup>3+</sup> in HeLa cells. Also, BF-SJ exhibited satisfactory performance in detection of Mg<sup>2+</sup> in seawater and test paper experiment.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177348","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
Synthesis of water-soluble CuInS2@ZnS quantum dots using amino acids as ligands and their application in smartphone-based visual detection of ciprofloxacin 以氨基酸为配体合成水溶性 CuInS2@ZnS 量子点及其在基于智能手机的环丙沙星视觉检测中的应用
IF 3.3 3区 化学
Research on Chemical Intermediates Pub Date : 2024-09-01 DOI: 10.1007/s11164-024-05385-4
Huiwen Wang, Hualan Zhou, Yue Wang, Yiqing Yang, Wenjie Cong, Mingxuan Wang, Jianguo Zhang
{"title":"Synthesis of water-soluble CuInS2@ZnS quantum dots using amino acids as ligands and their application in smartphone-based visual detection of ciprofloxacin","authors":"Huiwen Wang, Hualan Zhou, Yue Wang, Yiqing Yang, Wenjie Cong, Mingxuan Wang, Jianguo Zhang","doi":"10.1007/s11164-024-05385-4","DOIUrl":"https://doi.org/10.1007/s11164-024-05385-4","url":null,"abstract":"<p>Ternary I-III-VI quantum dots, unlike traditional binary counterparts, offer advantages like low toxicity, cadmium-free composition, tunable electronic properties, and near-infrared light emission, making them increasingly popular for their cost-effectiveness and versatile applications in light emission. In this study, monodispersive, water-soluble, highly emissive CuInS<sub>2</sub>@ZnS quantum dots were synthesized using cysteine and threonine as ligands by a simple one-pot solution method. By adjusting, the ratio of cysteine to threonine to 1:5 and the heating time during the synthesis process to 40 min, CuInS<sub>2</sub>@ZnS quantum dots achieved the highest fluorescence intensity. Then, CuInS<sub>2</sub>@ZnS quantum dots were applied for ciprofloxacin (CIP) detection in food sample, showing a linear range of 2–18 μg/ml and a lowest detection limit of 0.28 μg/ml. The fluorescent probe was successfully established by quenching process as CIP concentration increasing, due to photoinduced electron transfer. Experimental results demonstrated the detection method has high sensitivity and good selectivity. We, then utilized smartphones to visually distinguish CIP concentrations based on the colors emitted by the CuInS<sub>2</sub>@ZnS quantum dots under UV light. The method was finally effectively to detect residual CIP in porcine kidneys, with recoveries of 92%–98%. This approach has promising potential for enhancing food safety testing.</p>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142223457","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
Preparation and evaluation of the LaCu1-xNixO3 (x = 0, 0.1, 0.3, 0.5 and 0.7) perovskite catalysts for total oxidation of methane 制备和评估用于甲烷全氧化的 LaCu1-xNixO3(x = 0、0.1、0.3、0.5 和 0.7)过氧化物催化剂
IF 3.3 3区 化学
Research on Chemical Intermediates Pub Date : 2024-08-29 DOI: 10.1007/s11164-024-05377-4
Maryam Mirasgari, Seyed Mehdi Alavi, Mehran Rezaei
{"title":"Preparation and evaluation of the LaCu1-xNixO3 (x = 0, 0.1, 0.3, 0.5 and 0.7) perovskite catalysts for total oxidation of methane","authors":"Maryam Mirasgari, Seyed Mehdi Alavi, Mehran Rezaei","doi":"10.1007/s11164-024-05377-4","DOIUrl":"https://doi.org/10.1007/s11164-024-05377-4","url":null,"abstract":"<p>A series of Ni-substituted LaCu<sub>1-x</sub>Ni<sub>x</sub>O<sub>3</sub> (x = 0, 0.1, 0.3, 0.5 and 0.7) catalysts were prepared by a mechanochemical synthesis method and the prepared samples were used in catalytic combustion of methane. The catalytic results indicated that the partial substitution of Ni affected the catalytic performance and the increase in nickel content increased the catalytic activity and among the prepared catalysts the LaCu<sub>0.5</sub>Ni<sub>0.5</sub>O<sub>3</sub> sample possessed the highest catalytic activity and thermal stability. The results showed that methane conversion reached from 7.8 to 73.8% at 500 °C with the substitution of Ni in the amount of x = 0.5. Also, the addition of Ni instead of Cu in the LaCu<sub>1-x</sub>Ni<sub>x</sub>O<sub>3</sub> led to an increase in total pore volume and specific surface area and a decrease in average crystalline size. According to O<sub>2</sub>-TPD profiles of the LaCu<sub>1-x</sub>Ni<sub>x</sub>O<sub>3</sub> catalysts, mobility of lattice oxygen (O<sup>2−</sup>) has a crucial role in determining the performance of these catalysts. The H<sub>2</sub>-TPR results indicated that the addition of Ni slightly improved the reducibility of catalysts. Furthermore, a decrease in calcination temperature of LaCu<sub>0.5</sub>Ni<sub>0.5</sub>O<sub>3</sub> catalyst resulted in an increase in the catalytic activity due to the enhancement in the concentration of oxygen vacancy and specific surface area. Also, the results revealed that the increase in feed ratio (CH<sub>4</sub>/O<sub>2</sub>) leads to an increment in methane conversion.</p>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177350","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
Spectroscopic, spectrophotometric and thermal characterization of synthesized nitrobenzyl-pyridyl ether compounds and Ag (I) complexes, evaluation of their antibacterial activities against plant-borne and food-borne pathogens 合成的硝基苄基吡啶基醚化合物和 Ag (I) 复合物的光谱、分光光度和热表征,以及对植物和食物传播的病原体的抗菌活性评估
IF 3.3 3区 化学
Research on Chemical Intermediates Pub Date : 2024-08-29 DOI: 10.1007/s11164-024-05388-1
Serhat Koçoğlu
{"title":"Spectroscopic, spectrophotometric and thermal characterization of synthesized nitrobenzyl-pyridyl ether compounds and Ag (I) complexes, evaluation of their antibacterial activities against plant-borne and food-borne pathogens","authors":"Serhat Koçoğlu","doi":"10.1007/s11164-024-05388-1","DOIUrl":"https://doi.org/10.1007/s11164-024-05388-1","url":null,"abstract":"<p>New nitrobenzyl-pyridyl ether ligands were synthesized by reacting nitrobenzyl bromide (2-, 3- and 4-nitro) and halogen-substituted hydroxy pyridine (2-chloro-3-hydroxy-pyridine, 2-bromo-3-hydroxy-pyridine) compounds in DMF. By interacting the obtained ligands (<b>L1</b>, <b>L3</b>, <b>L4 </b>and <b>L6</b>) with silver (I) nitrate, transition metal complexes were prepared (<b>AgL1</b>, <b>AgL3</b>, <b>AgL4 </b>and <b>AgL6</b>). The structures of the synthesized ligands and complexes were characterized using FTIR, HRMS, <sup>1</sup>H-NMR and <sup>13</sup>C-NMR spectroscopic techniques. In addition, fluorescence spectra of the ligands (<b>L1</b>-<b>L6</b>) were detected in the presence of different metal cations (Li<sup>+</sup>, Na<sup>+</sup>, Mg<sup>2+</sup>, Al<sup>3+</sup>, K<sup>+</sup>, Ca<sup>2+</sup>, Cr<sup>3+</sup>, Fe<sup>3+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, Cu<sup>2+</sup>, Zn<sup>2+</sup> and Ag<sup>+</sup>). In addition, the thermal behavior of all compounds were examined by TGA-DTA methods and the data of silver complexes and ligands were compared. Within the scope of the study, the antibacterial activities of all compounds were investigated against 4 pathogens, 2 of which were plant-borne (<i>Xanthomonas vesicotoria, Clavibacter michiganensis subsp. Michiganensis</i>) and 2 were food-borne (<i>Escherichia coli, Listeria monocytogenes</i>).</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177351","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
Recent advances in carbon quantum dot photocatalysis 碳量子点光催化技术的最新进展
IF 3.3 3区 化学
Research on Chemical Intermediates Pub Date : 2024-08-28 DOI: 10.1007/s11164-024-05389-0
Dan Xu, Cailian Yu, Xianlong Peng, Hong Yan, Yuanbo Zhang
{"title":"Recent advances in carbon quantum dot photocatalysis","authors":"Dan Xu, Cailian Yu, Xianlong Peng, Hong Yan, Yuanbo Zhang","doi":"10.1007/s11164-024-05389-0","DOIUrl":"https://doi.org/10.1007/s11164-024-05389-0","url":null,"abstract":"<p>Carbon quantum dots (CQDs), as a novel type of carbon nanomaterial, are widely used in fields such as drug delivery, biosensing, fluorescent probes, and photocatalysis, benefiting from their excellent photostability, water solubility, biocompatibility, fluorescence, low-cost, and green non-toxicity. Meanwhile, due to the conjugated π structure of CQDs and surface defects generated by sp<sup>2</sup> hybridization, they possess unique optoelectronic properties, including tunable fluorescence, good upconversion photoluminescence, and efficient photoelectron transfer. These properties are key to the role of CQDs in the field of photocatalysis. This review summarises CQDs’ research progress and reaction mechanisms in photocatalysis, including their optical properties and synthesis strategies. Emphasis was placed on the application of CQDs in the field of photocatalysis, including photocatalytic CO<sub>2</sub> conversion, degradation of organic and heavy metal pollutants, hydrogen production, and nitrogen fixation. In addition, the challenges and prospects of CQDs in the field of photocatalysis are discussed, providing new ideas for studying CQDs photocatalytic materials.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177352","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
Copper immobilized onto the polyvinyl imidazole coated magnetic graphene oxide as an efficient heterogeneous catalyst for A3 and C–X cross-coupling reactions 固定在聚乙烯酰咪唑涂层磁性氧化石墨烯上的铜作为 A3 和 C-X 交叉偶联反应的高效异相催化剂
IF 3.3 3区 化学
Research on Chemical Intermediates Pub Date : 2024-08-24 DOI: 10.1007/s11164-024-05383-6
Zahra Lasemi, Seyed Mostafa Khosroanjom, Mahmood Tajbakhsh, Rahman Hosseinzadeh
{"title":"Copper immobilized onto the polyvinyl imidazole coated magnetic graphene oxide as an efficient heterogeneous catalyst for A3 and C–X cross-coupling reactions","authors":"Zahra Lasemi, Seyed Mostafa Khosroanjom, Mahmood Tajbakhsh, Rahman Hosseinzadeh","doi":"10.1007/s11164-024-05383-6","DOIUrl":"https://doi.org/10.1007/s11164-024-05383-6","url":null,"abstract":"<p>Copper immobiolized onto the polyvinyl imidazole coated magnetic graphene oxide [MGO@PVimCu(I)] was synthesized and characterized by various analytical methods such as FT-IR, XRD, TGA, TEM, FESEM, VSM and ICP-OES. According to the FE-SEM and TEM results, the size of the snared nanoparticles in the polymer matrix was about 50–90 nm and the surface of the catalyst was rough. The loading percentage of copper onto the polyvinyl imidazole coated MGO was determined to be 17% using ICP-OES, which is far better than the many known metal-based heterogeneous catalysts. In the catalytic activity scrutiny, A<sup>3</sup> coupling reaction for the preparation of propargylamines and coupling reaction of aryl halides with nucleophiles were aimed. In the presence of MGO@PVimCu(I), the corresponding products were gained in these reactions with moderate to excellent yields in aqueous medium (50–99%). This method demonstrates several considerable benefits including product yields, the use of various substrates, easy work-up, separation of catalyst by a simple external magnet, reusability of catalyst (at least four cycles), eco-friendliness, and avoidance of using any toxic solvent. The results of this study have shown that this catalyst can be a suitable candidate for other organic transformations.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177353","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
A mechanistic study of the electrochemical reaction between nitrostyrene and benzaldehyde: DFT calculations on all possible routes and intermediates 硝基苯乙烯和苯甲醛电化学反应的机理研究:对所有可能途径和中间产物的 DFT 计算
IF 3.3 3区 化学
Research on Chemical Intermediates Pub Date : 2024-08-24 DOI: 10.1007/s11164-024-05382-7
D. Shirvani, H. Tavakol, M. Abedini
{"title":"A mechanistic study of the electrochemical reaction between nitrostyrene and benzaldehyde: DFT calculations on all possible routes and intermediates","authors":"D. Shirvani, H. Tavakol, M. Abedini","doi":"10.1007/s11164-024-05382-7","DOIUrl":"https://doi.org/10.1007/s11164-024-05382-7","url":null,"abstract":"<p>A theoretical investigation of the electrochemical reaction between <i>β</i>-nitrostyrene and benzaldehyde was conducted at the DFT M06-2X/def2-TZVP level of theory. The reaction mechanism was dissected into five proposed routes, via 3 pathways, concluding with 4 possible products (P1 to P4). To gain a comprehensive understanding, we explored these routes both in the gas phase and in solution using three solvents: dimethylformamide, methanol, and water. In the gas phase, the overall barriers of these five routes (the energy in parentheses refers to the relative G versus reactants in kcal/mol) are in this order: A2 (− 48.22) &lt; A1 (21.29) &lt; C1 (21.59) &lt; B (29.81) &lt; C2 (77.59). The ΔG for the formation of four products (the energy in parentheses refers to the relative G versus reactants in kcal/mol) are in this order: P2 (− 233.40) &lt; P4 (− 82.13) &lt; P3 (− 74.18) &lt; P1 (− 46.97). Therefore, in the extra amount of both benzaldehyde and proton, P2 is the major product, in the extra amount of benzaldehyde and minimum amount of proton, P1 is preferred, and in the small amount of benzaldehyde and proton, P4 is preferred (only via C1 route). In the solvents, despite the gas phase data, path B and product P3 are a favorable path and products. Thermodynamically, the average relative G in three solvents for P3 is − 112.09 kcal/mol, for P2 is − 112.1, for P4 is − 118.46, and for P1 is − 60.25. Kinetically, the average relative G in three solvents for the transition states of P3 is − 8.25 kcal/mol, P2 is − 42.84, P4 is 34.16 via route C1 and 29.05 via route C2, and P1 is 95.81. Therefore, in the excess concentration of proton, P2 is the most favorable product by both kinetic and thermodynamic data and in low concentration of proton, P3 is the most favorable product.</p>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177354","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
A novel S-type porous g-C3N4/In2S3 heterojunction photocatalyst for efficient of CBZ degradation under visible light 在可见光下高效降解 CBZ 的新型 S 型多孔 g-C3N4/In2S3 异质结光催化剂
IF 3.3 3区 化学
Research on Chemical Intermediates Pub Date : 2024-08-23 DOI: 10.1007/s11164-024-05380-9
Yanyan Jiang, Yubing Liu, Yuhui Gao, Yulan Zhang, Chao Liu, Yuan Wei, Xin Li, Guanghong Zhao, Ronghui Liu, Huaide Liu, Ziyan Yu, Gaofeng Shi, Guoying Wang
{"title":"A novel S-type porous g-C3N4/In2S3 heterojunction photocatalyst for efficient of CBZ degradation under visible light","authors":"Yanyan Jiang, Yubing Liu, Yuhui Gao, Yulan Zhang, Chao Liu, Yuan Wei, Xin Li, Guanghong Zhao, Ronghui Liu, Huaide Liu, Ziyan Yu, Gaofeng Shi, Guoying Wang","doi":"10.1007/s11164-024-05380-9","DOIUrl":"https://doi.org/10.1007/s11164-024-05380-9","url":null,"abstract":"<p>The construction of heterostructures was considered to be an excellent strategy to achieve efficient charge separation and enhanced photocatalytic activity. Herein, the two-dimensional spherical In<sub>2</sub>S<sub>3</sub> anchored onto the porous carbon nitride surface by a facile self-assembly process benefiting from the special structural design, and the composite material is endowed with a large specific surface area and more active sites. And the novel <i>S</i>-type heterojunction structure can not only greatly improve the problem of carrier recombination but also maintain a high redox potential, thus further enhancing the performance of photocatalysts. Results showed that the best total photocatalytic degradation and remarkable photocatalytic activity effect of CBZ reaches 98.3% after 120 min could be obtained at the g-C<sub>3</sub>N<sub>4</sub>/In<sub>2</sub>S<sub>3</sub> under near room temperature and pressure and without using any sacrificial agents or promoters. The composite catalyst still exhibited excellent stability after five cycles. This work will provide the deep understanding of constructing interface engineering modulation, providing enlightenment for the design of high-performance photocatalysts.</p>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177356","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
Investigation of oxygen vacancy effects on acetic acid adsorption on anatase TiO2 (101) 研究氧空位对锐钛矿二氧化钛 (101) 吸附醋酸的影响
IF 3.3 3区 化学
Research on Chemical Intermediates Pub Date : 2024-08-23 DOI: 10.1007/s11164-024-05379-2
Song Guo, Juan Wang
{"title":"Investigation of oxygen vacancy effects on acetic acid adsorption on anatase TiO2 (101)","authors":"Song Guo, Juan Wang","doi":"10.1007/s11164-024-05379-2","DOIUrl":"https://doi.org/10.1007/s11164-024-05379-2","url":null,"abstract":"<p>Ketonization is an effective means of eliminating carboxylic acids from bio-oil and increasing the carbon chain. Oxygen vacancy defects in metal oxides affect the catalytic performance. However, few studies have investigated the specific effect of oxygen vacancy defects on carboxylic acid adsorption. In this work, the interaction between acetic acid and defect anatase TiO<sub>2</sub> (101) was analyzed using density functional theory (DFT). Surface oxygen vacancies are more difficult to form than subsurface, but acetic acid is more readily absorbed at the surface defects. The static point potential difference between surface Lewis acid and basic sites promotes the dissociation of acetic acid on both intact and defective surfaces, especially on the surface oxygen vacancies, which decreases the reaction energy barrier for water formation during ketonization. Additionally, surface oxygen vacancies convert the bidentate carboxylates formed on the perfect surface into more active monodentate carboxylates, which reduces the energy barrier for carbon–carbon coupling reactions in the ketonization. These results indicate that the surface oxygen vacancies can enhance the ketonization of acetic acid and demonstrate that the adsorption of macromolecular organics on catalysts is influenced by a combination of Lewis acidic strength, electrostatic site distribution, interfacial structure, and reactant active sites. Our results reveal in detail the effect of acetic acid adsorption on surface oxygen vacancies at the molecular level, which lays the foundation for further studies on the catalytic reaction mechanism as well as the regulation of catalysts.</p>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177355","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
Immobilizing nanocatalyst onto polyvinyl alcohol cross-linked by sodium alginate: a new strategy to degrade high amount of chloramphenicol and amitriptyline 将纳米催化剂固定在海藻酸钠交联的聚乙烯醇上:降解大量氯霉素和阿米替林的新策略
IF 3.3 3区 化学
Research on Chemical Intermediates Pub Date : 2024-08-19 DOI: 10.1007/s11164-024-05371-w
Mahdieh VafaeiAsl, Parastoo Jamshidi, Farzaneh Shemirani, Shiva Abdolhosein Hariri
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