New Journal of Chemistry最新文献

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A novel colorimetric “on–off–on” fluorescent probe based on tris(salicylaldehyde) for the sequential recognition of Cu2+/Hcy and its application in bioimaging† 一种基于水杨醛的新型比色“开关”荧光探针,用于Cu2+/Hcy的序列识别及其在生物成像中的应用
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-14 DOI: 10.1039/D5NJ00686D
Yingyue Ding, Ruiying Zhang, Xuanbing Qian, Yichi Zhang, Yifan Wei, Lingxia Jin, Qin Wang and Xiaoyan Cao
{"title":"A novel colorimetric “on–off–on” fluorescent probe based on tris(salicylaldehyde) for the sequential recognition of Cu2+/Hcy and its application in bioimaging†","authors":"Yingyue Ding, Ruiying Zhang, Xuanbing Qian, Yichi Zhang, Yifan Wei, Lingxia Jin, Qin Wang and Xiaoyan Cao","doi":"10.1039/D5NJ00686D","DOIUrl":"https://doi.org/10.1039/D5NJ00686D","url":null,"abstract":"<p >This study introduces a novel salicylaldehyde hydrazine-based small-molecule sensor <strong>DBD</strong>, which can sequentially recognize Cu<small><sup>2+</sup></small> and Hcy in a DMSO/PBS (1/1, v/v, pH = 7.4) solution. Upon addition of Cu<small><sup>2+</sup></small> ions, the emission intensity at 515 nm was rapidly quenched by 98.1%, with a detection limit of 7.47 nM, demonstrating its high sensitivity, selectivity, and robust anti-interference capability. The coordination ratio between <strong>DBD</strong> and Cu<small><sup>2+</sup></small> was determined to be 1 : 1, with a high complexation constant of 1.62 × 10<small><sup>4</sup></small> M<small><sup>−1</sup></small> as evidenced by the Job plot, MS, <small><sup>1</sup></small>H NMR, and DFT calculations. The <strong>DBD–Cu<small><sup>2+</sup></small></strong> complex was capable of further recognizing Hcy in the same system, exhibiting an “on–off–on” fluorescence response with a recovery efficiency approximately from 91% to 56% over seven cycles and a detection limit of 55.6 nM. Colorimetric experiments using inexpensive paper strips confirmed that the probe <strong>DBD</strong> can sequentially detect Cu<small><sup>2+</sup></small> and Hcy. Additionally, the applicability of <strong>DBD</strong> in the detection of Cu<small><sup>2+</sup></small> in actual different water samples was validated with satisfactory precision. Motivated by its favorable performance at physiological pH, the probe <strong>DBD</strong> was utilized for bio-imaging of Cu<small><sup>2+</sup></small> and Hcy in A549 living cells and zebrafish larvae. These results indicate that <strong>DBD</strong> is a promising candidate for detecting Cu<small><sup>2+</sup></small> and Hcy in biological systems.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 15","pages":" 6323-6331"},"PeriodicalIF":2.7,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143793048","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
Single-phase 2-carboxyethyl(phenyl)phosphinic acid-modified Zr-MOFs as flame retardants for enhancing fire retardancy and smoke suppression of epoxy resins† 单相2-羧基乙基(苯基)膦酸改性zr - mof阻燃剂对环氧树脂的阻燃和抑烟性能的影响
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-14 DOI: 10.1039/D5NJ00240K
Xiangyu Song, Zhiyong Zhang, Yongzhen Ji, Dashu Chen and Liu Yang
{"title":"Single-phase 2-carboxyethyl(phenyl)phosphinic acid-modified Zr-MOFs as flame retardants for enhancing fire retardancy and smoke suppression of epoxy resins†","authors":"Xiangyu Song, Zhiyong Zhang, Yongzhen Ji, Dashu Chen and Liu Yang","doi":"10.1039/D5NJ00240K","DOIUrl":"https://doi.org/10.1039/D5NJ00240K","url":null,"abstract":"<p >A 2-carboxyethyl(phenyl)phosphinic acid-functionalized metal–organic framework, CEPPA-UiO-67, was successfully synthesized through a post synthetic modification method, where CEPPA was coordinated onto the surface of UiO-67. When used as an additive flame retardant, CEPPA-UiO-67 enhanced the fire safety of epoxy resins. The EP/CEPPA-UiO-67 composite exhibited excellent flame retardancy and reduced toxic gas emissions. Compared with pure EP, the peak heat release rate and total smoke production of the EP/CEPPA-UiO-67 composite were reduced by 40.6% and 34.76%, respectively. Mechanistic studies indicated that the addition of CEPPA-UiO-67 altered the decomposition pathway of EP. Furthermore, the synergistic effect of CEPPA and UiO-67 promoted the formation of a dense carbon layer, which effectively slowed down the transfer of oxygen and heat, resulting in improved flame retardancy. This research provides valuable insights into the development of single-phase MOF-based flame retardants and their flame-retardant mechanisms.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 15","pages":" 6433-6442"},"PeriodicalIF":2.7,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792973","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 effect of etching solution on adsorption properties of Ti3CNTx for chlortetracycline removal† 蚀刻液对Ti3CNTx吸附性能的影响
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-14 DOI: 10.1039/D4NJ05127K
Özge Hanay, Aytekin Çelik, Yunus Aksoy, Umay Halisdemir and Halil Hasar
{"title":"The effect of etching solution on adsorption properties of Ti3CNTx for chlortetracycline removal†","authors":"Özge Hanay, Aytekin Çelik, Yunus Aksoy, Umay Halisdemir and Halil Hasar","doi":"10.1039/D4NJ05127K","DOIUrl":"https://doi.org/10.1039/D4NJ05127K","url":null,"abstract":"<p >2D MXenes are highly promising for adsorption due to their hydrophilicity, large surface area, multilayer structure, and surface functionalities. This study synthesizes a new MXene, titanium carbonitride (Ti<small><sub>3</sub></small>CNT<small><sub><em>x</em></sub></small>), using HF and LiF + HCl etching solutions, resulting in two types: M-HF30 and M-LiF + HCl. The adsorption capacities of these MXenes were evaluated for chlortetracycline hydrochloride (CTC). Characterization techniques, including X-ray powder diffraction, scanning electron microscopy, the pH of the point of zero charge, and Fourier-transform infrared spectroscopy were employed to assess the material properties and structural changes post-CTC contact. Both MXenes demonstrated significant CTC adsorption, with M-LiF + HCl achieving a higher removal capacity of 290 mg g<small><sup>−1</sup></small> compared to 105 mg g<small><sup>−1</sup></small> for M-HF30. This enhanced performance is attributed to LiF intercalation and improved surface functional groups, even if it has a lower surface area than M-HF30. Adsorption kinetics and isotherms indicated that CTC adsorption followed a pseudo-second-order kinetic model and the Langmuir model, suggesting monolayer adsorption dominated by chemisorption. Additionally, M-LiF + HCl showed good reusability over three adsorption cycles. Overall, Ti<small><sub>3</sub></small>CNT<small><sub><em>x</em></sub></small> MXene, particularly M-LiF + HCl, presents a promising new adsorbent for water treatment applications.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 14","pages":" 5822-5832"},"PeriodicalIF":2.7,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740560","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
High quality CdS buffer layer developed via Zn salt additive engineering for Sb2S3 solar cells† 采用锌盐添加剂工程制备Sb2S3太阳能电池高质量CdS缓冲层
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-14 DOI: 10.1039/D4NJ05036C
Yafeng Xu, Yu Li, Jian Yao, Xiang Liu, Shengbiao Zhang, Shihao Zhang, Shuqin Dong, Yue Yao, Xihong Ding and Meng Wang
{"title":"High quality CdS buffer layer developed via Zn salt additive engineering for Sb2S3 solar cells†","authors":"Yafeng Xu, Yu Li, Jian Yao, Xiang Liu, Shengbiao Zhang, Shihao Zhang, Shuqin Dong, Yue Yao, Xihong Ding and Meng Wang","doi":"10.1039/D4NJ05036C","DOIUrl":"https://doi.org/10.1039/D4NJ05036C","url":null,"abstract":"<p >Antimony sulfide (Sb<small><sub>2</sub></small>S<small><sub>3</sub></small>) is regarded as a promising candidate for next-generation photovoltaic technology. In recent years, the efficiency of Sb<small><sub>2</sub></small>S<small><sub>3</sub></small> solar cells has shown significant improvement, however, there still exists a considerable gap from the theoretical efficiency. This is partially due to the relatively high resistivity and parasitic light absorption of the CdS buffer layer, as well as the unsatisfactory crystal orientation of Sb<small><sub>2</sub></small>S<small><sub>3</sub></small>. In this work, a Zn salt additive is added to chemical bath solution of CdS to regulate the growth of CdS film. Elemental analysis indicates that only a small amount of zinc is deposited into the CdS film. The introduction of the Zn salt additive significantly increases the grain size and electrical conductivity of CdS, while also leading to preferential growth of the [<em>hk</em>1] orientation in Sb<small><sub>2</sub></small>S<small><sub>3</sub></small> film. The low-cost Sb<small><sub>2</sub></small>S<small><sub>3</sub></small> solar cells with inexpensive carbon electrodes were fabricated. The enhanced quality of the junction, attributed to the Zn salt additive, leads to improved charge transport and suppressed charge recombination in the Sb<small><sub>2</sub></small>S<small><sub>3</sub></small> solar cells. As a result, the efficiency increases from 4.90% to 5.74%. This work presents a straightforward and efficient approach for the fabrication of superior CdS buffer layers and Sb<small><sub>2</sub></small>S<small><sub>3</sub></small> solar cells.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 15","pages":" 6143-6150"},"PeriodicalIF":2.7,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143793036","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 Cu-modified Th6-based framework for regulating products in photocatalytic oxidation of tetrahydroisoquinoline† 四氢异喹啉光催化氧化反应产物调控的cu修饰th6框架
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-14 DOI: 10.1039/D5NJ00330J
Ran-Wei Zhang, Xiu-Fen Li, Hui Zhou, Yu-Jie Zhao, Jing-Qi Zhao, Pengfei Wu, Qing Huang and Dan Tian
{"title":"A Cu-modified Th6-based framework for regulating products in photocatalytic oxidation of tetrahydroisoquinoline†","authors":"Ran-Wei Zhang, Xiu-Fen Li, Hui Zhou, Yu-Jie Zhao, Jing-Qi Zhao, Pengfei Wu, Qing Huang and Dan Tian","doi":"10.1039/D5NJ00330J","DOIUrl":"https://doi.org/10.1039/D5NJ00330J","url":null,"abstract":"<p >In order to enhance the diversity of structural components and the synergistic catalytic effect, the monometallic site Cu was loaded in the framework of the Th-MOF to explore its photocatalytic activity and synergistic effect. The Cu-modified Th-MOF photocatalyst (Cu@Th<small><sub>6</sub></small>-BPYDC, H<small><sub>2</sub></small>BPYDC = 2,2-bipyridine-5,5-dicarboxylic acid) was designed and synthesized to investigate the effect on the photocatalytic oxidation reaction of 1,2,3,4-tetrahydroisoquinoline (THIQ). Interestingly, it was found that the product type could be modulated by different oxidants. When O<small><sub>2</sub></small> was used as the oxidant, the conversion rate of THIQ could reach 94.6% and the 3,4-dihydroisoquinoline product selectivity is 81.0%. When <em>tert</em>-butyl hydroperoxide (TBHP) was used as the oxidant, 99% conversion rate for THIQ and 99% selectivity for the isoquinoline product were obtained. An array of controlled experiments indicated that Cu and Th alternately behaved as the main active centers in the process of regulating the product type, and the synergistic catalysis gave rise to excellent catalytic performance. The results of this work point to a new direction for the design of efficient thorium-based photocatalysts.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 16","pages":" 6694-6701"},"PeriodicalIF":2.7,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830639","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 of a fluorescence sensor based on molecularly imprinted polymers coated with quantum dots for specific recognition and selective determination of quercetin in red wine samples† 分子印迹聚合物包覆量子点荧光传感器的制备及其对红酒样品中槲皮素的特异性识别和选择性测定
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-14 DOI: 10.1039/D4NJ05401F
Yang Cheng, Hongdi Liu, Yang Wang, Lixue Kuang and Guofeng Xu
{"title":"Preparation of a fluorescence sensor based on molecularly imprinted polymers coated with quantum dots for specific recognition and selective determination of quercetin in red wine samples†","authors":"Yang Cheng, Hongdi Liu, Yang Wang, Lixue Kuang and Guofeng Xu","doi":"10.1039/D4NJ05401F","DOIUrl":"https://doi.org/10.1039/D4NJ05401F","url":null,"abstract":"<p >A highly efficient and practical molecularly imprinted fluorescence sensor (MIP-QDs) was successfully synthesized through the simple reverse micro-emulsion method employing quercetin as the template molecule, quantum dots (QDs) as the fluorescent carrier and APTES as the functional monomer. The surface morphologies and structures of MIP-QDs were well characterized and examined in detail using several techniques. The fluorescence measurements were performed to investigate the fluorescence quenching capability of MIP-QDs for quercetin. Benefitting from the thin surface-imprinting layer and predefined binding sites on the surface of MIP-QDs, the prepared MIP-QDs sensor not only exhibited remarkable fluorescence quenching properties, outstanding optical stability and favorable reusability, but also had excellent sensitivity and selectivity towards quercetin. Under the optimized conditions, the fluorescence intensity of the designed MIP-QDs showed a linear decrease with the increasing quercetin concentration in the range of 0.1–150 μg mL<small><sup>−1</sup></small>. Moreover, the proposed fluorescence sensor was effectively applied to determine quercetin in real samples. Satisfactory recoveries ranging from 94.8% to 102.8% with the relative standard deviations (RSDs) below 5.0% in red wine samples were achieved using the fabricated MIP-QDs sensor. Therefore, it can be used as an efficient and cost-effective approach with excellent application potential for selective recognition and quantitative detection of quercetin in actual samples.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 14","pages":" 5791-5799"},"PeriodicalIF":2.7,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740527","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
Algal nanobionics and a nanobiohybrid system of biosynthesized ZnO-NPs to augment the cellular accumulation of biomolecules and its effect on microalgae† 藻类纳米仿生学和生物合成ZnO-NPs纳米杂交系统增加生物分子的细胞积累及其对微藻†的影响
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-14 DOI: 10.1039/D4NJ03976A
Afreen Parveen, Jyoti Rawat, Bhawna Bisht, Krishna Kumar Jaiswal, Shabaaz Begum J. P., Shivam Pandey, Pankaj Gautam, Mikhail S. Vlaskin and Vinod Kumar
{"title":"Algal nanobionics and a nanobiohybrid system of biosynthesized ZnO-NPs to augment the cellular accumulation of biomolecules and its effect on microalgae†","authors":"Afreen Parveen, Jyoti Rawat, Bhawna Bisht, Krishna Kumar Jaiswal, Shabaaz Begum J. P., Shivam Pandey, Pankaj Gautam, Mikhail S. Vlaskin and Vinod Kumar","doi":"10.1039/D4NJ03976A","DOIUrl":"https://doi.org/10.1039/D4NJ03976A","url":null,"abstract":"<p >Algal nanobionics leverages nanotechnology to enhance microalgae-based biotechnology. This study presents an approach to synthesize zinc oxide nanoparticles (ZnO-NPs) from macroalgal bloom extract (MBE) and integrate them at various concentrations into <em>Chlorella sorokiniana</em>. The impact of MBE–ZnO-NPs on biocompatibility, biomass productivity, pigment contents, and intracellular dispersion was assessed. Results indicated that a 5 ppm concentration of MBE–ZnO exhibited high compatibility and significantly increased reactive oxygen species (ROS) levels (7.19 ± 0.4 μmol H<small><sub>2</sub></small>O<small><sub>2</sub></small> g<small><sup>−1</sup></small>) and photosynthetic yields of chlorophyll ‘<em>a</em>’ (Chl ‘<em>a</em>’ 28.30%), chlorophyll ‘<em>b</em>’ (Chl ‘<em>b</em>’ 44.78%), and carotenoids (Car 37.94%) in microalgae. The lipid and protein contents increased, whereas carbohydrate content was reduced in the MBE–ZnO-NP-treated biomass. In addition, the biomass treated with MBE–ZnO NPs exhibited 29.28 mg/100 mg of total amino acid (AA) content, including 7.65 mg/100 mg of essential and 21.62 mg/100 mg of non-essential AAs. These findings highlight the necessity of green and natural NPs in optimizing and bioprospecting the potential of algae for sustainable ecological and economic approaches.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 15","pages":" 6380-6395"},"PeriodicalIF":2.7,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143793053","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
Regulation of anti-oxidation behavior in silver-coated copper powders via cobalt modification† 钴改性对镀银铜粉抗氧化性能的调控
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-14 DOI: 10.1039/D5NJ00553A
Xiaoxin Zhu, Ting Liu, Mei Cao, Zhenqiang Zhang, Yiran Tian, Fei Han, Chunling He, Bin Zhang and Changming Xia
{"title":"Regulation of anti-oxidation behavior in silver-coated copper powders via cobalt modification†","authors":"Xiaoxin Zhu, Ting Liu, Mei Cao, Zhenqiang Zhang, Yiran Tian, Fei Han, Chunling He, Bin Zhang and Changming Xia","doi":"10.1039/D5NJ00553A","DOIUrl":"https://doi.org/10.1039/D5NJ00553A","url":null,"abstract":"<p >The anti-oxidation of silver-coated copper (Cu@Ag) powders is expected to improve as a thick silver (Ag) shell forms. A novel approach involving cobalt modification was disclosed with the goal of improving Ag deposits, and the impact of cobalt modification on the anti-oxidation of Cu@Ag (cobalt-modified, CM) powders was mainly revealed. Cu@Ag (CM) powders were found to have an Ag shell thickness of approximately 635 nm, which was significantly thicker than that of Cu@Ag (non-cobalt-modified, NCM) powders (∼545 nm). The deposition of Ag and the core–shell structure of Cu@Ag (NCM; CM) powders were confirmed by field emission scanning electron microscopy (FESEM), energy dispersive spectroscopy (EDS), and X-ray diffraction (XRD). The effects of cobalt modification on the morphology and anti-oxidation of Cu@Ag powders were investigated using scanning electron microscopy (SEM), high-temperature tube furnace testing, and thermogravimetric-differential scanning calorimetry (TG-DSC). According to the results, the Cu@Ag (NCM) powders were spherical, while the Cu@Ag (CM) powders exhibited an irregularly flocculent morphology. Due to the protection provided by the Ag shells, the initial oxidation temperature of both Cu@Ag (NCM) and Cu@Ag (CM) powders increased to 244 °C. Cu@Ag (CM) powders exhibited a lower oxidation weight gain at high temperatures compared to Cu@Ag (NCM) powders. The element content in the plating solution was determined using inductively coupled plasma optical emission spectrometry (ICP-OES), and the results indicated that cobalt modification could facilitate Ag deposition in electroless Ag plating. The proposed cobalt modification method not only improves the resistance of Cu@Ag powders to oxidation but also decreases the amount of Ag(<small>I</small>) waste in the solution.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 14","pages":" 5810-5821"},"PeriodicalIF":2.7,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740529","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
DFT study on the mechanism and origin of stereoselectivity of an NHC-catalyzed activation/transformation of an α-bromo enal† nhc催化α-溴醛活化/转化的立体选择性机理及来源的DFT研究
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-14 DOI: 10.1039/D5NJ00499C
Peilin Han, Yujiao Hou, Suxiang Ge, Zhifei Yang, Yongli Yan, Haodi Guo and Chunhui Liu
{"title":"DFT study on the mechanism and origin of stereoselectivity of an NHC-catalyzed activation/transformation of an α-bromo enal†","authors":"Peilin Han, Yujiao Hou, Suxiang Ge, Zhifei Yang, Yongli Yan, Haodi Guo and Chunhui Liu","doi":"10.1039/D5NJ00499C","DOIUrl":"https://doi.org/10.1039/D5NJ00499C","url":null,"abstract":"<p >In the present study, we theoretically investigated the mechanism and origin of stereoselectivity in an NHC-catalyzed enantioselective activation/transformation of an α-bromo enal, utilizing α,β-unsaturated acyl azolium as a key intermediate through density functional theory (DFT). Based on our calculations, the most energetically favorable pathway involves a sequential process comprising 1,4-addition, a stereoselective Mannich reaction, and a lactamization cascade to yield the fused-heterocyclic lactam product. The Michael addition acts as the stereoselectivity-determining step, resulting in a preferential generation of the <em>SR</em>-configurated isomer. Furthermore, we elucidated the origin of stereoselectivity through non-covalent interaction (NCI) analysis, which indicates that a greater number of weak interactions significantly contribute to achieving a high level of stereoselectivity.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 15","pages":" 6374-6379"},"PeriodicalIF":2.7,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143793052","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
Tunable N-doped ultra-microporous activated carbons: enhancing O2 activation to facilitate the conversion of H2S to H2SO4 at ambient temperature† 可调n掺杂超微孔活性炭:增强O2活化,促进H2S在室温下转化为H2SO4
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-13 DOI: 10.1039/D5NJ00489F
Caiyue Zhao, Yinghong Luo, Yanshi Zhang, Daiqi Ye, Yiqiang Zhang and Junliang Wu
{"title":"Tunable N-doped ultra-microporous activated carbons: enhancing O2 activation to facilitate the conversion of H2S to H2SO4 at ambient temperature†","authors":"Caiyue Zhao, Yinghong Luo, Yanshi Zhang, Daiqi Ye, Yiqiang Zhang and Junliang Wu","doi":"10.1039/D5NJ00489F","DOIUrl":"https://doi.org/10.1039/D5NJ00489F","url":null,"abstract":"<p >The impact of activated carbon's pore size, particularly ultra-micropores, on the composition of catalytic oxidation products from hydrogen sulfide (H<small><sub>2</sub></small>S) has been noted in the literature. Despite this, a comprehensive understanding of the process remains elusive. In this study, we fine-tuned the pore structure by modulating the activation temperature of carbon dioxide (CO<small><sub>2</sub></small>), resulting in the synthesis of nitrogen-doped carbon materials characterized by a substantial fraction of ultra-micropores. These materials demonstrated remarkable selectivity for the production of H<small><sub>2</sub></small>SO<small><sub>4</sub></small>, with selectivity values ranging from 12.86% to 50.44%, markedly surpassing the outcomes reported in existing research. Further in-depth analysis revealed a pronounced positive correlation between the selectivity for H<small><sub>2</sub></small>SO<small><sub>4</sub></small> and the prevalence of ultra-micropores. Additionally, findings from electron paramagnetic resonance (EPR) and <em>in situ</em> Raman spectroscopy have shown that ultra-micropores can effectively activate molecular oxygen (O<small><sub>2</sub></small>), thereby promoting the conversion of H<small><sub>2</sub></small>S into H<small><sub>2</sub></small>SO<small><sub>4</sub></small>. This research introduces a novel approach for the development of desulfurization catalysts that exhibit heightened selectivity for H<small><sub>2</sub></small>SO<small><sub>4</sub></small> under ambient conditions, representing a significant advancement in the field.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 14","pages":" 5773-5782"},"PeriodicalIF":2.7,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740525","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
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