Pub Date : 2024-03-06DOI: 10.1177/17475198241234642
Yue Liu
To develop a better process for synthesizing sodium percarbonate and getting separation of the sodium salt, the equilibrium of the ternary system Na2SO4–H2O2–H2O and Na2CO3–H2O2–H2O at 5 °C was determined using the isothermal method, and the appropriate synthesis conditions for sodium carbonate from a theoretical perspective was discussed. The Na2SO4–H2O2–H2O system phase diagram contains one co-saturated point of Na2SO4·0.5H2O2·H2O and Na2SO4·10H2O. The Na2CO3–H2O2–H2O system phase diagram contains three crystal zones: Na2CO3·10H2O crystallization field, 0Na2CO3·1.5H2O2·H2O crystallization field and Na2CO3·2H2O2·H2O crystallization field. According to the phase diagram, the suitable raw material ratio of sodium percarbonate synthesis was obtained, to get the maximum of product yield, the optimal mass ratio of Na2CO3 to 30% H2O2 is 0.609.
{"title":"Determination and analysis of solid–liquid equilibria for ternary systems Na2SO4–H2O2–H2O and Na2CO3–H2O2–H2O at 5 °C","authors":"Yue Liu","doi":"10.1177/17475198241234642","DOIUrl":"https://doi.org/10.1177/17475198241234642","url":null,"abstract":"To develop a better process for synthesizing sodium percarbonate and getting separation of the sodium salt, the equilibrium of the ternary system Na<jats:sub>2</jats:sub>SO<jats:sub>4</jats:sub>–H<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub>–H<jats:sub>2</jats:sub>O and Na<jats:sub>2</jats:sub>CO<jats:sub>3</jats:sub>–H<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub>–H<jats:sub>2</jats:sub>O at 5 °C was determined using the isothermal method, and the appropriate synthesis conditions for sodium carbonate from a theoretical perspective was discussed. The Na<jats:sub>2</jats:sub>SO<jats:sub>4</jats:sub>–H<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub>–H<jats:sub>2</jats:sub>O system phase diagram contains one co-saturated point of Na<jats:sub>2</jats:sub>SO<jats:sub>4</jats:sub>·0.5H<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub>·H<jats:sub>2</jats:sub>O and Na<jats:sub>2</jats:sub>SO<jats:sub>4</jats:sub>·10H<jats:sub>2</jats:sub>O. The Na<jats:sub>2</jats:sub>CO<jats:sub>3</jats:sub>–H<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub>–H<jats:sub>2</jats:sub>O system phase diagram contains three crystal zones: Na<jats:sub>2</jats:sub>CO<jats:sub>3</jats:sub>·10H<jats:sub>2</jats:sub>O crystallization field, 0Na<jats:sub>2</jats:sub>CO<jats:sub>3</jats:sub>·1.5H<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub>·H<jats:sub>2</jats:sub>O crystallization field and Na<jats:sub>2</jats:sub>CO<jats:sub>3</jats:sub>·2H<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub>·H<jats:sub>2</jats:sub>O crystallization field. According to the phase diagram, the suitable raw material ratio of sodium percarbonate synthesis was obtained, to get the maximum of product yield, the optimal mass ratio of Na<jats:sub>2</jats:sub>CO<jats:sub>3</jats:sub> to 30% H<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub> is 0.609.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"43 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140054775","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-03-05DOI: 10.1177/17475198241234629
Yan Zhang, Jingwen Wu, Shuaihui Dang, Sha Zhou, Jifen Wang, Ruixue Wang
The potential risks associated with the high halogen content of typical meta-amide ( m-diamide) insecticidals aroused concerns among researchers. Hoping to make discoveries by introducing sulfur elements with good environmental compatibility, a series of novel sulfur-containing m-amide derivatives C were synthesized through exploration under mild conditions according to the literature. And the structures were confirmed by melting points, 1H NMR, 13C NMR, 19F NMR, and HRMS. It was found that some target compounds C exhibited moderate to high insecticidal activities against Aphis craccivora (38.89%–75.00%) and Plutella xylostella (93.33%−100.00%) at 500 mg.L−1. Especially, the sulfone-containing compound C-3 revealed superior lethality rates against P. xylostella (100%, 12.5 mg.L−1) and A. craccivora (75.00%, 500 mg.L−1), suggesting its potential as a leading compound for further investigation.
典型的间二酰胺类杀虫剂中卤素含量较高，其潜在风险引起了研究人员的关注。研究人员希望通过引入与环境相容性良好的硫元素来有所发现，并根据文献，在温和条件下探索合成了一系列新型含硫间二胺衍生物 C。并通过熔点、1H NMR、13C NMR、19F NMR 和 HRMS 对其结构进行了确认。研究发现，一些目标化合物 C 在 500 mg.L-1 的浓度下对蚜虫（38.89%-75.00%）和褐飞虱（93.33%-100.00%）具有中等到较高的杀虫活性。特别是含砜化合物 C-3 对 P. xylostella（100%，12.5 mg.L-1）和 A. craccivora（75.00%，500 mg.L-1）的致死率较高，表明其有可能成为进一步研究的主要化合物。
{"title":"Design, synthesis, and insecticidal activities of the novel sulfur-containing meta-amide compounds as potential pesticides","authors":"Yan Zhang, Jingwen Wu, Shuaihui Dang, Sha Zhou, Jifen Wang, Ruixue Wang","doi":"10.1177/17475198241234629","DOIUrl":"https://doi.org/10.1177/17475198241234629","url":null,"abstract":"The potential risks associated with the high halogen content of typical meta-amide ( m-diamide) insecticidals aroused concerns among researchers. Hoping to make discoveries by introducing sulfur elements with good environmental compatibility, a series of novel sulfur-containing m-amide derivatives C were synthesized through exploration under mild conditions according to the literature. And the structures were confirmed by melting points, <jats:sup>1</jats:sup>H NMR, <jats:sup>13</jats:sup>C NMR, <jats:sup>19</jats:sup>F NMR, and HRMS. It was found that some target compounds C exhibited moderate to high insecticidal activities against Aphis craccivora (38.89%–75.00%) and Plutella xylostella (93.33%−100.00%) at 500 mg.L<jats:sup>−1</jats:sup>. Especially, the sulfone-containing compound C-3 revealed superior lethality rates against P. xylostella (100%, 12.5 mg.L<jats:sup>−1</jats:sup>) and A. craccivora (75.00%, 500 mg.L<jats:sup>−1</jats:sup>), suggesting its potential as a leading compound for further investigation.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"97 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140046240","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A straightforward method has been developed for Pd(II) catalyzed ortho-iodination of benzoic acids in aqueous media. In this paper, mono-iodination of benzoic acids is reported in the presence of KI as the iodine source.
针对水介质中苯甲酸的钯(II)催化正碘化，已经开发出一种简单易行的方法。本文报告了在 KI 作为碘源的情况下苯甲酸的单碘化反应。
{"title":"Ortho-iodination of aromatic carboxylic acids in aqueous media","authors":"Hengameh Havasel, Roghaye Soltani, Hossein Eshghi, Arash Ghaderi","doi":"10.1177/17475198231223679","DOIUrl":"https://doi.org/10.1177/17475198231223679","url":null,"abstract":"A straightforward method has been developed for Pd(II) catalyzed ortho-iodination of benzoic acids in aqueous media. In this paper, mono-iodination of benzoic acids is reported in the presence of KI as the iodine source.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"17 31 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140005569","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-12DOI: 10.1177/17475198241231534
Rong Zhao, Ji Wang, Yiming Han
CuCo2O4@MoS2 microflowers have been synthesized on Ni foam using a hydrothermal method, and their electrochemical performances as supercapacitor electrodes are investigated. The influence of MoS2 loading on the specific capacity and cycle stability of the nanocomposites is systematically analyzed. It is found that the addition of MoS2 significantly enhances the specific capacity of the CuCo2O4 microflowers, while the cycle stability varies with MoS2 content. Competitive mechanistic insights into the interplay between MoS2 content, electrochemical behavior, and structural stability during cycling are provided. Notably, the CuCo2O4@MoS2-60 sample exhibits an impressive specific capacity of 11.1 F cm−2 at a discharge current density of 0.003 A cm−2, with a remarkable capacity retention rate of 94.6% after 1800 charge–discharge cycles. Moreover, the practical application prospects are demonstrated through the fabrication of symmetric supercapacitors. This study offers valuable guidance for the rational design and optimization of CuCo2O4@MoS2 nanocomposites for high-performance supercapacitor applications.
{"title":"Effect of coating MoS2 nanoflakes onto CuCo2O4 on the electrochemical performance as electrode materials of supercapacitors","authors":"Rong Zhao, Ji Wang, Yiming Han","doi":"10.1177/17475198241231534","DOIUrl":"https://doi.org/10.1177/17475198241231534","url":null,"abstract":"CuCo<jats:sub>2</jats:sub>O<jats:sub>4</jats:sub>@MoS<jats:sub>2</jats:sub> microflowers have been synthesized on Ni foam using a hydrothermal method, and their electrochemical performances as supercapacitor electrodes are investigated. The influence of MoS<jats:sub>2</jats:sub> loading on the specific capacity and cycle stability of the nanocomposites is systematically analyzed. It is found that the addition of MoS<jats:sub>2</jats:sub> significantly enhances the specific capacity of the CuCo<jats:sub>2</jats:sub>O<jats:sub>4</jats:sub> microflowers, while the cycle stability varies with MoS<jats:sub>2</jats:sub> content. Competitive mechanistic insights into the interplay between MoS<jats:sub>2</jats:sub> content, electrochemical behavior, and structural stability during cycling are provided. Notably, the CuCo<jats:sub>2</jats:sub>O<jats:sub>4</jats:sub>@MoS<jats:sub>2</jats:sub>-60 sample exhibits an impressive specific capacity of 11.1 F cm<jats:sup>−2</jats:sup> at a discharge current density of 0.003 A cm<jats:sup>−2</jats:sup>, with a remarkable capacity retention rate of 94.6% after 1800 charge–discharge cycles. Moreover, the practical application prospects are demonstrated through the fabrication of symmetric supercapacitors. This study offers valuable guidance for the rational design and optimization of CuCo<jats:sub>2</jats:sub>O<jats:sub>4</jats:sub>@MoS<jats:sub>2</jats:sub> nanocomposites for high-performance supercapacitor applications.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"8 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139954420","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-07DOI: 10.1177/17475198241230042
Shunze Gong, Chixiang Yuan, Hang Hu, Defeng Xu
In this work, 20 curcumin derivatives containing halogen atoms or nitrogen atoms were synthesized for suppression of castration-resistant prostate cancer. These curcumin derivatives were prepared by aldol condensation between the substituted benzaldehydes and acetylacetone or ethyl 3-acetyl-4-oxopentanoate. All synthesized compounds were characterized by 1H nuclear magnetic resonance, 13C nuclear magnetic resonance, high resolution mass, ultraviolet–visible spectroscopy, fluorescence spectroscopy, and high-performance liquid chromatography. The in vitro cytotoxicity of the prepared compounds against 22Rv1 cells was evaluated by the standard MTT assay. The compounds with good inhibitory activity against 22Rv1 cells were further tested for androgen receptor suppression effect. The results show that all compounds were successfully prepared and the purities are all over 90%. Among all synthesized compounds, compound p and s exhibit better inhibitory activity against 22Rv1 cells as compared to dimethylcurcumin, compound q and r display similar inhibitory activity against 22Rv1 cells as compared to dimethylcurcumin. Compounds p-s also demonstrate enhanced androgen receptor suppression effect against 22Rv1 cells as compared to dimethylcurcumin. This work indicates that compounds p-s show promising inhibitory activity against castration-resistant prostate cancer cells by suppression of androgen receptor.
{"title":"Synthesis of curcumin derivatives for suppression of castration-resistant prostate cancer","authors":"Shunze Gong, Chixiang Yuan, Hang Hu, Defeng Xu","doi":"10.1177/17475198241230042","DOIUrl":"https://doi.org/10.1177/17475198241230042","url":null,"abstract":"In this work, 20 curcumin derivatives containing halogen atoms or nitrogen atoms were synthesized for suppression of castration-resistant prostate cancer. These curcumin derivatives were prepared by aldol condensation between the substituted benzaldehydes and acetylacetone or ethyl 3-acetyl-4-oxopentanoate. All synthesized compounds were characterized by <jats:sup>1</jats:sup>H nuclear magnetic resonance, <jats:sup>13</jats:sup>C nuclear magnetic resonance, high resolution mass, ultraviolet–visible spectroscopy, fluorescence spectroscopy, and high-performance liquid chromatography. The in vitro cytotoxicity of the prepared compounds against 22Rv1 cells was evaluated by the standard MTT assay. The compounds with good inhibitory activity against 22Rv1 cells were further tested for androgen receptor suppression effect. The results show that all compounds were successfully prepared and the purities are all over 90%. Among all synthesized compounds, compound p and s exhibit better inhibitory activity against 22Rv1 cells as compared to dimethylcurcumin, compound q and r display similar inhibitory activity against 22Rv1 cells as compared to dimethylcurcumin. Compounds p-s also demonstrate enhanced androgen receptor suppression effect against 22Rv1 cells as compared to dimethylcurcumin. This work indicates that compounds p-s show promising inhibitory activity against castration-resistant prostate cancer cells by suppression of androgen receptor.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"61 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139954344","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-05DOI: 10.1177/17475198241228252
Jing Jiang, Peng Xie, Yue Gao, Chenqi Wu, Jingcheng Song
Acridine derivatives have exhibited great application prospects in organic photovoltaic devices. An efficient and atomically economical synthetic method was developed for the production of acridines from anthranils using arylboronic acids. This protocol features no catalysts, good functional group tolerance, and operational simplicity. This catalyst-free process afforded various acridines in moderate to good yields, providing an efficient platform for the investigation of untapped reactions at high temperatures.
{"title":"Thermo-promoted annulation of arylboronic acids with anthranils under catalyst-free conditions: Access to acridines","authors":"Jing Jiang, Peng Xie, Yue Gao, Chenqi Wu, Jingcheng Song","doi":"10.1177/17475198241228252","DOIUrl":"https://doi.org/10.1177/17475198241228252","url":null,"abstract":"Acridine derivatives have exhibited great application prospects in organic photovoltaic devices. An efficient and atomically economical synthetic method was developed for the production of acridines from anthranils using arylboronic acids. This protocol features no catalysts, good functional group tolerance, and operational simplicity. This catalyst-free process afforded various acridines in moderate to good yields, providing an efficient platform for the investigation of untapped reactions at high temperatures.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"2015 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139954419","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-01DOI: 10.1177/17475198231221453
Mohammed H. Al-Maamori, Ahmed N. Al-jamal, S. Habeeb, Ali S Hassan, H. Majdi
Al: ZnO films are prepared by spraying from the pure ZnO and Al with doping at different weight ratios 0.01, 0.03, 0.05, and 0.09. X-ray diffraction, atomic force microscopy, and energy-dispersive X-ray spectroscopy are used to analyze the structural properties of the films. The results of X-ray diffraction prove that polycrystalline Al:ZnO with a hexagonal wurtzite structure is preferentially oriented on the c-axis, and this is further confirmed by transmission electron microscopy. In addition, 0.09 wt% of Al-doping shows high orientation and homogeneity with the (002) plane, which leads to an increase in the surface roughness properties of the thin films as the root main square by 57.4%. The annealing process at high temperatures increases the conductivity of the Al:ZnO films. The rate of electronic mobility increases slightly with low doping and decreases with increasing doping until it reaches its lowest value (0.1 cm2 (V.s)−1) at a doping ratio of 0.035 wt%. The samples show considerable response for CO at 80 ppm gas concentration with gas responses of 85% and 40% at 90 °C for 0.03 wt% Al:ZnO and ZnO films, respectively. The overall study observed that fabricated sensor Al3+-doped ZnO is reliable and very rapid in detecting carbon monoxide vapors at moderately high temperatures and low gas concentrations.
Al: ZnO 薄膜是由纯 ZnO 和以不同重量比 0.01、0.03、0.05 和 0.09 掺杂的 Al 喷涂制备而成。利用 X 射线衍射、原子力显微镜和能量色散 X 射线光谱分析了薄膜的结构特性。X 射线衍射结果证明，多晶 Al:ZnO 具有六方菱面体结构，优先在 c 轴上取向，透射电子显微镜进一步证实了这一点。此外，0.09 wt% 的铝掺杂显示了与 (002) 平面的高取向性和均匀性，这导致薄膜的表面粗糙度以主次方根为单位增加了 57.4%。高温退火过程提高了 Al:ZnO 薄膜的导电性。电子迁移率在低掺杂时略有增加，随着掺杂量的增加而降低，直到掺杂比为 0.035 wt% 时达到最低值（0.1 cm2 (V.s)-1）。样品在 80 ppm 气体浓度下对一氧化碳有相当大的响应，0.03 wt% Al:ZnO 和 ZnO 薄膜在 90 °C 时的气体响应分别为 85% 和 40%。总体研究结果表明，所制造的传感器 Al3+ 掺杂氧化锌在中等高温和低气体浓度下检测一氧化碳蒸气时非常可靠和快速。
{"title":"Al3+-modified ZnO thin film sensor fabricated by the sputtering method: Characterization and a carbon monoxide gas detection study","authors":"Mohammed H. Al-Maamori, Ahmed N. Al-jamal, S. Habeeb, Ali S Hassan, H. Majdi","doi":"10.1177/17475198231221453","DOIUrl":"https://doi.org/10.1177/17475198231221453","url":null,"abstract":"Al: ZnO films are prepared by spraying from the pure ZnO and Al with doping at different weight ratios 0.01, 0.03, 0.05, and 0.09. X-ray diffraction, atomic force microscopy, and energy-dispersive X-ray spectroscopy are used to analyze the structural properties of the films. The results of X-ray diffraction prove that polycrystalline Al:ZnO with a hexagonal wurtzite structure is preferentially oriented on the c-axis, and this is further confirmed by transmission electron microscopy. In addition, 0.09 wt% of Al-doping shows high orientation and homogeneity with the (002) plane, which leads to an increase in the surface roughness properties of the thin films as the root main square by 57.4%. The annealing process at high temperatures increases the conductivity of the Al:ZnO films. The rate of electronic mobility increases slightly with low doping and decreases with increasing doping until it reaches its lowest value (0.1 cm2 (V.s)−1) at a doping ratio of 0.035 wt%. The samples show considerable response for CO at 80 ppm gas concentration with gas responses of 85% and 40% at 90 °C for 0.03 wt% Al:ZnO and ZnO films, respectively. The overall study observed that fabricated sensor Al3+-doped ZnO is reliable and very rapid in detecting carbon monoxide vapors at moderately high temperatures and low gas concentrations.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":" 83","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139392008","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-01DOI: 10.1177/17475198231221255
Bangfu Liu, Guo-wen He, Le-zhou Zhou
The novelty of immobilized p-dimethylaminobenzylidenerhodanine is successfully prepared by using TiO2-based nanoparticles as the carrier. It is applied to preconcentrate and separate trace thallium and detect by flow injection combined with graphite furnace atomic absorption spectrometer. The results show that immobilized p-dimethylaminobenzylidenerhodanine can preconcentrate and separate trace thallium and eliminate the interference of many other ions. The optimal adsorption occurs at pH = 3.5, the retention time is 2.0 min, and the flow velocity is 2.5mL/min. The optimal desorption takes place at a flow velocity of 1.0 mL/min, 1 mL mixed solution (thiourea and HCl were both 0.1 mol/L). The recovery rate of thallium is over 95%; the amount of immobilized p-dimethylaminobenzylidenerhodanine is 22.08 mg/g; the adsorption capacity of thallium for immobilized p-dimethylaminobenzylidenerhodanine is 7.2 mg/g; the molar ratio of thallium ions and p-dimethylaminobenzylidenerhodanine is 5:2. The immobilized p-dimethylaminobenzylidenerhodanine can be recycled and reused. For the developed method, the limit of detection is 8 ng/L, the relative standard deviation is 3.7%, and the recovery is 89%–107%. The method is successfully applied to actual samples with satisfactory results.
{"title":"Determination of trace thallium by flow injection combined with graphite furnace atomic absorption spectrometer based on immobilized p-dimethylaminobenzylidenerhodanine separation and preconcentration","authors":"Bangfu Liu, Guo-wen He, Le-zhou Zhou","doi":"10.1177/17475198231221255","DOIUrl":"https://doi.org/10.1177/17475198231221255","url":null,"abstract":"The novelty of immobilized p-dimethylaminobenzylidenerhodanine is successfully prepared by using TiO2-based nanoparticles as the carrier. It is applied to preconcentrate and separate trace thallium and detect by flow injection combined with graphite furnace atomic absorption spectrometer. The results show that immobilized p-dimethylaminobenzylidenerhodanine can preconcentrate and separate trace thallium and eliminate the interference of many other ions. The optimal adsorption occurs at pH = 3.5, the retention time is 2.0 min, and the flow velocity is 2.5mL/min. The optimal desorption takes place at a flow velocity of 1.0 mL/min, 1 mL mixed solution (thiourea and HCl were both 0.1 mol/L). The recovery rate of thallium is over 95%; the amount of immobilized p-dimethylaminobenzylidenerhodanine is 22.08 mg/g; the adsorption capacity of thallium for immobilized p-dimethylaminobenzylidenerhodanine is 7.2 mg/g; the molar ratio of thallium ions and p-dimethylaminobenzylidenerhodanine is 5:2. The immobilized p-dimethylaminobenzylidenerhodanine can be recycled and reused. For the developed method, the limit of detection is 8 ng/L, the relative standard deviation is 3.7%, and the recovery is 89%–107%. The method is successfully applied to actual samples with satisfactory results.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"23 11","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139456754","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-01DOI: 10.1177/17475198231221253
E. Elkaeed, I. Eissa, Abdulrahman M. Saleh, B. A. Alsfouk, A. Metwaly
In our quest to discover effective inhibitors against severe acute respiratory syndrome coronavirus 2 helicase, a diverse set of more than 300 naturally occurring antiviral metabolites was investigated. Employing advanced computational techniques, we initiated the selection process by analyzing and comparing the co-crystallized ligand (VXG) of the severe acute respiratory syndrome coronavirus 2 helicase protein (PDB ID: 5RMM) to identify compounds with structurally similar features and potential for comparable binding. Through structural similarity and pharmacophore research, 13 compounds that shared important characteristics with VXG were pinpointed. Subsequently, these candidates were subjected to molecular docking to identify seven compounds that demonstrated favorable energy profiles and accurate binding to the severe acute respiratory syndrome coronavirus 2 helicase. Among these, mycophenolic acid emerged as the most promising candidate. To ensure the safety and viability of the selected compounds, we conducted ADMET tests, which confirmed the favorable characteristics of mycophenolic acid, and the safety of atropine and plumbagin. Building on these results, we performed additional analyses on mycophenolic acid, including various molecular dynamics simulations. These investigations demonstrated that mycophenolic acid exhibited optimal binding to the severe acute respiratory syndrome coronavirus 2 helicase, maintaining flawless dynamics throughout the simulations. Furthermore, the Molecular Mechanics Poisson–Boltzmann Surface Area tests provided strong evidence that mycophenolic acid successfully formed a stable connection with the severe acute respiratory syndrome coronavirus 2 helicase, with a calculated free energy value of −294 kJ mol−1. These encouraging findings provide a solid foundation for further research, including in vitro and in vivo studies, on the three identified compounds. The potential efficacy of these compounds as treatment options for coronavirus-19 warrants further exploration and may hold significant promise in the ongoing fight against the pandemic.
{"title":"Computer-aided drug discovery of natural antiviral metabolites as potential SARS-CoV-2 helicase inhibitors","authors":"E. Elkaeed, I. Eissa, Abdulrahman M. Saleh, B. A. Alsfouk, A. Metwaly","doi":"10.1177/17475198231221253","DOIUrl":"https://doi.org/10.1177/17475198231221253","url":null,"abstract":"In our quest to discover effective inhibitors against severe acute respiratory syndrome coronavirus 2 helicase, a diverse set of more than 300 naturally occurring antiviral metabolites was investigated. Employing advanced computational techniques, we initiated the selection process by analyzing and comparing the co-crystallized ligand (VXG) of the severe acute respiratory syndrome coronavirus 2 helicase protein (PDB ID: 5RMM) to identify compounds with structurally similar features and potential for comparable binding. Through structural similarity and pharmacophore research, 13 compounds that shared important characteristics with VXG were pinpointed. Subsequently, these candidates were subjected to molecular docking to identify seven compounds that demonstrated favorable energy profiles and accurate binding to the severe acute respiratory syndrome coronavirus 2 helicase. Among these, mycophenolic acid emerged as the most promising candidate. To ensure the safety and viability of the selected compounds, we conducted ADMET tests, which confirmed the favorable characteristics of mycophenolic acid, and the safety of atropine and plumbagin. Building on these results, we performed additional analyses on mycophenolic acid, including various molecular dynamics simulations. These investigations demonstrated that mycophenolic acid exhibited optimal binding to the severe acute respiratory syndrome coronavirus 2 helicase, maintaining flawless dynamics throughout the simulations. Furthermore, the Molecular Mechanics Poisson–Boltzmann Surface Area tests provided strong evidence that mycophenolic acid successfully formed a stable connection with the severe acute respiratory syndrome coronavirus 2 helicase, with a calculated free energy value of −294 kJ mol−1. These encouraging findings provide a solid foundation for further research, including in vitro and in vivo studies, on the three identified compounds. The potential efficacy of these compounds as treatment options for coronavirus-19 warrants further exploration and may hold significant promise in the ongoing fight against the pandemic.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"13 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139457117","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-11-01DOI: 10.1177/17475198231214490
Xuefei Bao, Chuqiao Song, Dan Liu, Guoliang Chen
Vismodegib is the first hedgehog signaling pathway inhibitor approved by the Food and Drug Administration (FDA) for the treatment of basal-cell carcinoma. The reported methods for the preparation of vismodegib mostly require the employment of precious metal catalysts and phosphine ligands. An alternative low-cost method avoiding the employment of precious metal catalysts and phosphine ligand is developed to prepare vismodegib in a laboratory. The reported method is applied in an undergraduate experimental course to verify its reproducibility and to develop the experimental skills of students. Moreover, the teaching practice experiences are summed up to provide suggestions for the development of exploratory and further experimental courses.
{"title":"An alternative method for the preparation of vismodegib: A tool for an undergraduate laboratory course","authors":"Xuefei Bao, Chuqiao Song, Dan Liu, Guoliang Chen","doi":"10.1177/17475198231214490","DOIUrl":"https://doi.org/10.1177/17475198231214490","url":null,"abstract":"Vismodegib is the first hedgehog signaling pathway inhibitor approved by the Food and Drug Administration (FDA) for the treatment of basal-cell carcinoma. The reported methods for the preparation of vismodegib mostly require the employment of precious metal catalysts and phosphine ligands. An alternative low-cost method avoiding the employment of precious metal catalysts and phosphine ligand is developed to prepare vismodegib in a laboratory. The reported method is applied in an undergraduate experimental course to verify its reproducibility and to develop the experimental skills of students. Moreover, the teaching practice experiences are summed up to provide suggestions for the development of exploratory and further experimental courses.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"25 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139297010","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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