Meng Zhang, Jin Li, Jiaqi Li, Yingmin Hou, Yi Wang
{"title":"Detection mechanism and solvent effects of the 3-hydroxy-2-(4-(pyrrolidin-1-yl)phenyl)benzo[g]quinolin-4(1H)-one (PBQ) probe","authors":"Meng Zhang, Jin Li, Jiaqi Li, Yingmin Hou, Yi Wang","doi":"10.1002/jccs.202400083","DOIUrl":"10.1002/jccs.202400083","url":null,"abstract":"<p>Hydroxy-2-(4-(pyrrolidin-1-yl)phenyl)benzo[g]quinolin-4(1H)-one (PBQ) is a ratiometric fluorescent probe based on excited-state intramolecular proton transfer (ESIPT). PBQ-1 is the reaction product following its exposure to phosgene. Density functional theory (DFT) and time dependent density functional theory (DFT) have been used to study the excited state dynamics of PBQ and PBQ-1 in different solvents. The results show that the reaction of PBQ with a transition from charge-transfer excitation to local excitation before and after the reaction. It becomes more difficult for PBQ in the excited state to transfer proton with increasing solvent polarity. The product PBQ-1 undergoes a molecular structure twist, and the angle of twisting decreases with increasing solvent polarity, resulting in a lower degree of rotational freedom of the hydroxyl group (5-OH) at the 5th carbon position, which makes it more susceptible to ESIPT reactions. Therefore, PBQ-1 is more susceptible to ESIPT as solvent polarity increases. Our theoretical calculations also elucidate the cause of the blue shift of PBQ fluorescence and the impact of the twisting intramolecular charge transfer phenomenon on the solvent effect. Furthermore, our study provides the theoretical guidance for the designing probe based on excited state intramolecular proton transfer.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141194389","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}
ZhongXin Zhang, QiFan Liu, Nuerbiye Aizezi, Bumaliya Abulimiti, Mei Xiang
{"title":"Effect of methyl substitution on hydrogen bond structure of anthocyanin","authors":"ZhongXin Zhang, QiFan Liu, Nuerbiye Aizezi, Bumaliya Abulimiti, Mei Xiang","doi":"10.1002/jccs.202300444","DOIUrl":"10.1002/jccs.202300444","url":null,"abstract":"<p>In nature, hydrogen bonding is a common physical occurrence that has a significant impact on the surroundings of anthocyanins. Water molecules will create hydrogen bonds with anthocyanin molecules in various configurations, but the characteristics of these hydrogen bonds will change. Varied hydrogen bonding characteristics have varied impacts on solvent solutions. This research analyzes the differences in hydrogen bonding qualities caused by different methyl structures, as well as the underlying explanations. In this study, the cyanidin and peonidin structures of anthocyanin molecules were calculated in various stable hydrogen bond configurations using the density functional theory B3LYP/6-31G(d,p), combined with information from the infrared spectroscopy spectrum, atoms in molecules analysis, interaction energy E, and intermolecular hydrogen bond length. The hydrogen bond structure that is the most stable is determined by analyzing it, as well as the effects of replacing the hydroxyl group with a methyl group and any potential underlying causes. Future anthocyanins research can benefit from the precise theoretical reference that this study can offer.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141194310","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}
Thi-Diem Bui, Quang-Liem Nguyen, Thi-Bich Luong, Nguyen Van Cuong, Phuc Huu Dang
{"title":"Enhanced luminescence using the core-shell-shell structure of 3-mercaptopropionic acid-capped ZnSe/ZnS: Mn/ZnS quantum dot","authors":"Thi-Diem Bui, Quang-Liem Nguyen, Thi-Bich Luong, Nguyen Van Cuong, Phuc Huu Dang","doi":"10.1002/jccs.202400109","DOIUrl":"10.1002/jccs.202400109","url":null,"abstract":"<p>In this study, we used the surface stabilizer 3-mercaptopropionic acid (MPA) to synthesize ZnSe quantum dots in nontoxic aqueous solvents. Because of the –COOH group, MPA is an SH-R-COOH molecule that is added to improve the dispersion and quantum dot (QD) compatibility with antibodies. The different structures ZnSe, Mn-doped ZnSe, Mn-doped ZnSe/ZnS, and ZnSe/Mn-doped ZnS/ZnS were investigated to find the optimum photoluminescence (PL). The structure and distribution element of ZnSe/Mn-doped ZnS/ZnS QD were analyzed by the high-resolution TEM image and scanning transmission electron microscopy. This finding of the ZnS buffer layer helps to reduce the defect lattice of QDs, which increases PL significantly. The highest PL intensity of ZnSe/ZnS:Mn/ZnS is significantly more than that of ZnSe and ZnSe/ZnS 6.2 and 3.3 times, respectively. In addition, the fluorescence efficiency of ZnSe/ZnS:5%Mn/ZnS-MPA was 74.37% higher than that of ZnSe:5%Mn/ZnS-MPA (55.04%) in ZnS buffer.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141169527","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}
{"title":"Retraction","authors":"","doi":"10.1002/jccs.202401005","DOIUrl":"10.1002/jccs.202401005","url":null,"abstract":"<p><b>RETRACTION:</b> Y. Zhang, F. Sun, H. Liu, “Two Zn(II)-based meta-organic frameworks: Selective detection of antibiotics and treatment activity on age-related macular degeneration by reducing inflammasome activation.” <i>Journal of the Chinese Chemical Society</i> 68, no. 1 (2020): 177–185, https://doi.org/10.1002/jccs.202000193.</p><p>The above article, published online on 2 October 2020 in Wiley Online Library (wileyonlinelibrary.com), has been retracted by agreement between the journal Editor-in-Chief, Jye-Shane Yang; the Chemical Society Located in Taipei; and Wiley-VCH GmbH, Weinheim. The retraction has been agreed following an investigation based on allegations raised by a third party. The authors were not able to provide comprehensive experimental data upon request and the investigation revealed the x-ray crystallographic data had been compromised. Accordingly, the conclusions of this manuscript have to be considered insufficiently supported.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jccs.202401005","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141145766","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Benzotrifuran based organic molecules for optoelectronic and charge transport properties for organic electronic devices","authors":"Vipin Kumar, Prabhakar Chetti","doi":"10.1002/jccs.202400088","DOIUrl":"10.1002/jccs.202400088","url":null,"abstract":"<p>The key motive of the current work is the detailed study of charge transport and optoelectronic properties of Benzotrifuran based organic molecules for organic electronic device applications. Density functional theory (DFT) and time dependent-DFT simulations were executed on studied organic molecules. The absorption characteristics are ascertained and the results are compared with corresponding known experimental results. Frontier molecular orbitals, that is; highest occupied molecular orbital and lowest unoccupied molecular orbital, electron extraction potential, electron affinities, ionization potentials, reorganization energies (<i>Z</i>), and hole extraction potential of all the studied molecules are explored. In contrast, all of the examined organic compounds are with low hole (<i>Z</i><sub><i>h</i></sub>) and electron (<i>Z</i><sub><i>e</i></sub>) reorganization energies, making them suitable for use in organic electrical devices.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141104263","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}
Shuang Xia, Xiao Fu, Bin Wang, Yi Wang, Zhongqing Liu
{"title":"Enhanced water electrolysis by construction and control of nickel (cobalt) phosphide/metal interface","authors":"Shuang Xia, Xiao Fu, Bin Wang, Yi Wang, Zhongqing Liu","doi":"10.1002/jccs.202400064","DOIUrl":"10.1002/jccs.202400064","url":null,"abstract":"<p>Using cobalt sulfate and nickel sulfate as main electrolytes, ammonium sulfate as an auxiliary electrolyte and buffer agent, and cheap iron pieces (FP) as the substrates, nickel and/or cobalt phosphide/metal heterogeneous catalytic electrode (M<sub>2</sub>P/M/FP) was grown on the substrate in situ by electrodeposition followed by low temperature phosphating. M<sub>2</sub>P/M/FP functioned as a good bifunctional electrode for HER and OER in 1 mol/L KOH, where Co<sub>2</sub>P/Co/FP needed an overpotential of 52 and 288 mV, and (NC)<sub>2</sub>P/(NC)/FP required that of 75 mV and 293 mV to afford 10 mA/cm<sup>2</sup>. Previous similar studies often ignored the role of metal and only considered the water electrolysis catalysis of metal phosphide. In this research, it was clarified that for water electrolysis, the essence of high catalysis activity of the M<sub>2</sub>P/M/FP electrode was the electronic interaction between metal and metal phosphide.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141106183","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}
{"title":"Improvement on electrochemiluminescence properties of graphite carbon nitride by metal oxidation state regulation","authors":"Rui Zou, Rui Guo, Jinkui Cheng","doi":"10.1002/jccs.202400094","DOIUrl":"10.1002/jccs.202400094","url":null,"abstract":"<p>Reasonable design is of great significance for improving the performance of electrochemiluminescence (ECL) co-reactant accelerators. The different d-band structure of metal single atoms will produce different oxidation states, which may change the adsorption of reaction intermediates to the catalyst and affect its catalytic activity. In this study, we have demonstrated that the ECL performances of graphite carbon nitride (CN) can be promoted by modulating the metal oxidation states of co-reaction accelerator for the first time. The oxidation states of Au were modulated by the different electronic metal–support interaction (EMSI) between the co-reaction accelerator (Au single atoms, Au nanoparticles [Au NPs]) and CN, and the effects of Au oxidation states on the ECL performances of CN were investigated. Comparison to pristine CN and CN nanosheets supported Au nanoparticles (Au NPs/CN), stronger and more stable ECL intensity of CN nanosheets supported Au single-atoms (Au<sup>S</sup>/CN) was obtained. The ECL signal of Au<sup>S</sup>/CN was about 32.2 times that of the original CN, and 2.8 times that of Au NPs/CN in the same Au loading content (0.8%). Detailed mechanism revealed that Au<sup>S</sup>/CN with higher Au oxidation state has better conductivity and stronger catalytic activity, which promotes the electric reduction of CN and S<sub>2</sub>O<sub>8</sub><sup>2−</sup>, increases the lifetime of the excited state CN*, and significantly improves the ECL performance of CN. In addition, this work provides a detailed understanding of the essence of EMSI for the ECL intensity amplification and established a feasible method for the improvement of ECL capacities of co-reactant accelerators.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140967479","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}
{"title":"Cover: Journal of the Chinese Chemical Society 05/2024","authors":"","doi":"10.1002/jccs.1842","DOIUrl":"https://doi.org/10.1002/jccs.1842","url":null,"abstract":"<p><b>In this paper</b>, the design concept aims to convey the overall background of the published literature, emphasizing the concept of food safety. It utilizes a magnifying glass to symbolize the analysis of various parts of preserved eggs described in the text. Additionally, the spectrogram concept in the bottom right corner highlights the detection methods. More details about this figure will be discussed by Dr. Tsung-Ting Shih and his co-workers on page 474–481 in this issue.\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jccs.1842","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140910567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Preview: Journal of the Chinese Chemical Society 05/2024","authors":"","doi":"10.1002/jccs.202405001","DOIUrl":"https://doi.org/10.1002/jccs.202405001","url":null,"abstract":"","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jccs.202405001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140910576","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Contents and Masthead: Journal of the Chinese Chemical Society 05/2024","authors":"","doi":"10.1002/jccs.1843","DOIUrl":"https://doi.org/10.1002/jccs.1843","url":null,"abstract":"","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jccs.1843","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140910568","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}