Per- and polyfluoroalkyl substances (PFAS) are widely used but can have harmful effects on the human body. Activated carbon has been used to remove PFAS from water; however, vesicles consisting of amphiphiles are adsorbent candidates. Optimization of PFAS adsorption using vesicles has not yet been achieved. We analyzed the chain-length dependence of perfluorocarboxylic acid (PFCA) adsorption on vesicles composed of amphiphiles with two bent hydrophobic chains containing cis-double bonds to reveal the interaction between vesicles and PFCA.
{"title":"Chain-length dependence in adsorption of perfluoroalkylcarboxylic acid on vesicles composed of amphiphiles with two bent hydrophobic chains","authors":"Hatsuho Usuda, Takahiro Toyoshima, Yoshie Mishima, Koji Sakurai, Chieko Takamura, Akira Takahashi, Kimitaka Minami, Tohru Kawamoto","doi":"10.1093/chemle/upae106","DOIUrl":"https://doi.org/10.1093/chemle/upae106","url":null,"abstract":"Per- and polyfluoroalkyl substances (PFAS) are widely used but can have harmful effects on the human body. Activated carbon has been used to remove PFAS from water; however, vesicles consisting of amphiphiles are adsorbent candidates. Optimization of PFAS adsorption using vesicles has not yet been achieved. We analyzed the chain-length dependence of perfluorocarboxylic acid (PFCA) adsorption on vesicles composed of amphiphiles with two bent hydrophobic chains containing cis-double bonds to reveal the interaction between vesicles and PFCA.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":"84 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141502678","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}
Herein, we report a Ni-photoredox-catalyzed stereoconvergent coupling of phenols and alkenyl halides, which affords a Z-coupling product. Moreover, by simply changing the solvent, the reaction also provides access to the E-coupling product with high stereoselectivity. The key factor for changing the stereoisomer of the product was found to be the fluorescence lifetime of photocatalyst.
在此，我们报告了一种镍光氧化催化的苯酚与烯基卤化物的立体转化偶联反应，该反应可产生 Z 偶联产物。此外，只需改变溶剂，该反应还能以高立体选择性获得 E-偶联产物。研究发现，改变产物立体异构体的关键因素是光催化剂的荧光寿命。
{"title":"Nickel-photoredox-catalyzed E- and Z-stereoconvergent coupling of alkenyl halides and phenols","authors":"Sodai Nishino, Takuya Kurahashi","doi":"10.1093/chemle/upae111","DOIUrl":"https://doi.org/10.1093/chemle/upae111","url":null,"abstract":"Herein, we report a Ni-photoredox-catalyzed stereoconvergent coupling of phenols and alkenyl halides, which affords a Z-coupling product. Moreover, by simply changing the solvent, the reaction also provides access to the E-coupling product with high stereoselectivity. The key factor for changing the stereoisomer of the product was found to be the fluorescence lifetime of photocatalyst.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":"74 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141518757","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}
Shumma Kozaki, Yao Yuan, Hiroki Ubukata, Zefeng Wei, Tatsuya Tsumori, Shuto Asano, Ken Niwa, Masashi Hasegawa, Hiroshi Kageyama
The structural properties of NbON oxynitride under high pressure were investigated through in situ synchrotron X-ray diffraction (SXRD) up to 43 GPa. It was found that the bulk modulus of baddeleyite NbON (290 GPa) is larger than that of ZrO2 (150 GPa), indicating that the introduction of highly covalent nitrogen imparts greater stiffness. Furthermore, SXRD patterns reveal the emergence of a peak signaling a new crystalline phase above around 20 GPa. This is in contrast to TaON, where diffraction patterns only show an increase in background beyond 33 GPa. First-principle calculations suggest that the high-pressure phase adopts an orthorhombic cotunnite-type structure, distinguishing it from the oxide counterparts, wherein the ambient pressure phase transforms to a cotunnite structure via an orthorhombic-I structure.
通过高达 43 GPa 的原位同步辐射 X 射线衍射 (SXRD) 研究了 NbON 氧化物在高压下的结构特性。研究发现，巴氏氮化物的体积模量（290 GPa）大于氧化锆的体积模量（150 GPa），这表明高共价氮的引入带来了更大的刚度。此外，SXRD 图谱显示，在约 20 GPa 以上出现了一个峰值，标志着一种新的结晶相。这与 TaON 形成鲜明对比，后者的衍射图样只显示出 33 GPa 以上的背景增加。第一原理计算表明，高压相采用的是正方晶阳起石型结构，有别于氧化物对应相，后者的常压相通过正方晶 I 结构转变为阳起石结构。
{"title":"High-pressure X-ray study of NbON oxynitride: direct transition from baddeleyite to cotunnite structure","authors":"Shumma Kozaki, Yao Yuan, Hiroki Ubukata, Zefeng Wei, Tatsuya Tsumori, Shuto Asano, Ken Niwa, Masashi Hasegawa, Hiroshi Kageyama","doi":"10.1093/chemle/upae113","DOIUrl":"https://doi.org/10.1093/chemle/upae113","url":null,"abstract":"The structural properties of NbON oxynitride under high pressure were investigated through in situ synchrotron X-ray diffraction (SXRD) up to 43 GPa. It was found that the bulk modulus of baddeleyite NbON (290 GPa) is larger than that of ZrO2 (150 GPa), indicating that the introduction of highly covalent nitrogen imparts greater stiffness. Furthermore, SXRD patterns reveal the emergence of a peak signaling a new crystalline phase above around 20 GPa. This is in contrast to TaON, where diffraction patterns only show an increase in background beyond 33 GPa. First-principle calculations suggest that the high-pressure phase adopts an orthorhombic cotunnite-type structure, distinguishing it from the oxide counterparts, wherein the ambient pressure phase transforms to a cotunnite structure via an orthorhombic-I structure.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":"42 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141502679","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}
This study investigated the stabilizer's impact on nanoceria's antiviral activity. The positively charged nanoceria dispersion showed potent activity against the influenza virus, reducing the viral titer by over 4.0 log10 pfu/mL within 1 h, surpassing EN14476 criteria. It also inactivated the virus within 15 s, decreasing the infection titer by 2.2 log10 pfu/mL, and maintained efficacy even under bovine serum albumin loading.
{"title":"Efficient Inactivation of Influenza Virus Through Adsorption of Nanoceria and its Oxidative Power","authors":"Shota Sekiguchi, Eisuke Umezawa, Hiroko Ito Yamanaka, Kan Fujino, Takahiro Motoshiromizu, Miho Kawanishi Ouchi, Shunsuke Murai, Tomohide Masuda, Masateru Ito, Hitoshi Nobumasa, Satoshi Taharaguchi","doi":"10.1093/chemle/upae124","DOIUrl":"https://doi.org/10.1093/chemle/upae124","url":null,"abstract":"This study investigated the stabilizer's impact on nanoceria's antiviral activity. The positively charged nanoceria dispersion showed potent activity against the influenza virus, reducing the viral titer by over 4.0 log10 pfu/mL within 1 h, surpassing EN14476 criteria. It also inactivated the virus within 15 s, decreasing the infection titer by 2.2 log10 pfu/mL, and maintained efficacy even under bovine serum albumin loading.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":"17 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141518758","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}
We encapsulated silver nanoplates (AgNPLs) into poly(lactic-co-glycolic) acid (PLGA) nanoparticles. The encapsulation stabilized the AgNPLs in a physiological environment and the antibacterial activity of the AgNPLs against planktonic bacteria was reduced. However, the PLGA nanoparticles encapsulating the AgNPLs were internalized into macrophages and showed antibacterial activity against intracellular bacteria. AgNPL-loaded PLGA nanoparticles are promising for treating intractable infectious diseases caused by bacteria-infecting macrophages.
{"title":"Encapsulation of silver nanoplates into poly(lactic-co-glycolic) acid nanoparticles and the antibacterial activity against intracellular bacteria","authors":"Ryoko Nawata, Sayo Maruyama, Wei Xu, Takuro Niidome","doi":"10.1093/chemle/upae084","DOIUrl":"https://doi.org/10.1093/chemle/upae084","url":null,"abstract":"We encapsulated silver nanoplates (AgNPLs) into poly(lactic-co-glycolic) acid (PLGA) nanoparticles. The encapsulation stabilized the AgNPLs in a physiological environment and the antibacterial activity of the AgNPLs against planktonic bacteria was reduced. However, the PLGA nanoparticles encapsulating the AgNPLs were internalized into macrophages and showed antibacterial activity against intracellular bacteria. AgNPL-loaded PLGA nanoparticles are promising for treating intractable infectious diseases caused by bacteria-infecting macrophages.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":"26 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141255245","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}
Herein, we report the N-arylation of amides based on the formation of N-centered amidyl radicals via proton-coupled electron transfer (PCET) using a nickel–photoredox dual catalyst. The reaction achieved arylation of sterically hindered linear secondary amides under mild conditions. Control experiments with radical inhibitors suggested the formation of amidyl radicals via the PCET mechanism.
{"title":"Ni-photoredox-catalyzed amide arylation reaction using amidyl radical formation via PCET","authors":"Sodai Nishino, Takuya Kurahashi","doi":"10.1093/chemle/upae088","DOIUrl":"https://doi.org/10.1093/chemle/upae088","url":null,"abstract":"Herein, we report the N-arylation of amides based on the formation of N-centered amidyl radicals via proton-coupled electron transfer (PCET) using a nickel–photoredox dual catalyst. The reaction achieved arylation of sterically hindered linear secondary amides under mild conditions. Control experiments with radical inhibitors suggested the formation of amidyl radicals via the PCET mechanism.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":"37 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141255382","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}
Derivatives of a 1,3-dithiole[6]dendralene analog with two thiophene spacers inserted (2) have been successfully synthesized. Cyclic voltammetry and spectroelectrochemistry revealed that their redox behavior, based on the distribution of the positive charges, differed depending on the position and the electronic effect of substituents on the 1,3-dithiole rings.
{"title":"Synthesis and Properties of 1,3-Dithiole[6]dendralene Analogs with Two Thiophene Spacers Inserted","authors":"Tomoya Misaki, Masataka Nishiwaki, Toshiki Ito, Masafumi Ueda, Masahiro Fujisaki, Aya Yoshimura, Takashi Shirahata, Minoru Hayashi, Yohji Misaki","doi":"10.1093/chemle/upae104","DOIUrl":"https://doi.org/10.1093/chemle/upae104","url":null,"abstract":"Derivatives of a 1,3-dithiole[6]dendralene analog with two thiophene spacers inserted (2) have been successfully synthesized. Cyclic voltammetry and spectroelectrochemistry revealed that their redox behavior, based on the distribution of the positive charges, differed depending on the position and the electronic effect of substituents on the 1,3-dithiole rings.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":"27 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141257069","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}
Materials science research benefits from the powerful machine-learning (ML) surrogate models, but it is also limited by the implicit requirement for sufficiently big and balanced data distribution for ML. In this paper, we propose a model to obtain more credible results for small and imbalanced materials data sets as well as chemical knowledge. Taking 2 bandgaps imbalanced data sets as instances, we demonstrate the usability and performance of our model compared with common ML models with normal sampling and resampling methods.
材料科学研究得益于强大的机器学习（ML）代用模型，但也受限于 ML 对足够大且均衡的数据分布的隐性要求。在本文中，我们提出了一种模型，以获得更可信的结果，适用于小而不平衡的材料数据集以及化学知识。以 2 个带隙不平衡数据集为例，我们展示了我们的模型与采用正常采样和重采样方法的普通 ML 模型相比的可用性和性能。
{"title":"CSIML: a cost-sensitive and iterative machine-learning method for small and imbalanced materials data sets","authors":"Shengzhou Li, Ayako Nakata","doi":"10.1093/chemle/upae090","DOIUrl":"https://doi.org/10.1093/chemle/upae090","url":null,"abstract":"Materials science research benefits from the powerful machine-learning (ML) surrogate models, but it is also limited by the implicit requirement for sufficiently big and balanced data distribution for ML. In this paper, we propose a model to obtain more credible results for small and imbalanced materials data sets as well as chemical knowledge. Taking 2 bandgaps imbalanced data sets as instances, we demonstrate the usability and performance of our model compared with common ML models with normal sampling and resampling methods.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":"67 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141256668","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}
To predict the lifetime of metal-organic frameworks (MOFs) with high water capacity/stability as water harvesters and adsorption heat pumps, a simple accelerated water stability test was developed using liquid water and water vapor in an autoclave. The function obtained from Bnlnauer-Emmett-Teller (BET) surface area loss analysis of MOF-801-P was applied to lifetime prediction, and a long-term stability test of MOF-801-P with liquid water at 65 °C agreed well with the values predicted using the developed test.
为了预测具有高水容量/稳定性的金属有机框架（MOFs）作为水收集器和吸附热泵的寿命，开发了一种在高压釜中使用液态水和水蒸气的简单加速水稳定性试验。从 MOF-801-P 的 Bnlnauer-Emmett-Teller (BET) 表面积损失分析中获得的函数被应用于寿命预测，MOF-801-P 在 65 °C 下与液态水进行的长期稳定性测试与使用所开发的测试预测的值非常吻合。
{"title":"Accelerated water stability test and lifetime prediction of metal-organic frameworks","authors":"Tetsushi Ohmura, Yusuke Mukae, Yoichi Hosokawa, Hiroshi Nakamura, Takafumi Yamauchi","doi":"10.1093/chemle/upae093","DOIUrl":"https://doi.org/10.1093/chemle/upae093","url":null,"abstract":"To predict the lifetime of metal-organic frameworks (MOFs) with high water capacity/stability as water harvesters and adsorption heat pumps, a simple accelerated water stability test was developed using liquid water and water vapor in an autoclave. The function obtained from Bnlnauer-Emmett-Teller (BET) surface area loss analysis of MOF-801-P was applied to lifetime prediction, and a long-term stability test of MOF-801-P with liquid water at 65 °C agreed well with the values predicted using the developed test.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":"23 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141256666","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}
Abstract Since the properties of sulfur-containing compounds depend on the sulfur number contained in the compound, it is desirable to develop a method to control the sulfur number. A common method for synthesizing sulfur-containing compounds is to mix sulfur with a base to form linear sulfur, which is then reacted with an organic compound to obtain a sulfur-containing compound. In this study, we systematically investigated the relationship between the type of base, equivalent amount of the base, and the reaction solvent and the sulfur number in the resulting sulfur-containing compound. The sulfur number of sulfur-containing compounds prepared in water was controlled by the equivalent ratio of elemental sulfur (S8) and base. Sulfur-containing compound with high sulfur values was obtained using solvents with low dielectric constants and with lower base equivalents compared to S8.
{"title":"Control of sulfur number in sulfur-containing compounds: The effect of base type, equivalent of the base, and reaction solvent in synthesizing linear sulfur","authors":"Ryuto Nishimura, Yuichiro Kobayashi, Ryunosuke Kamioka, Shun Hashimoto, Hiroyasu Yamaguchi","doi":"10.1093/chemle/upae105","DOIUrl":"https://doi.org/10.1093/chemle/upae105","url":null,"abstract":"<jats:title>Abstract</jats:title> Since the properties of sulfur-containing compounds depend on the sulfur number contained in the compound, it is desirable to develop a method to control the sulfur number. A common method for synthesizing sulfur-containing compounds is to mix sulfur with a base to form linear sulfur, which is then reacted with an organic compound to obtain a sulfur-containing compound. In this study, we systematically investigated the relationship between the type of base, equivalent amount of the base, and the reaction solvent and the sulfur number in the resulting sulfur-containing compound. The sulfur number of sulfur-containing compounds prepared in water was controlled by the equivalent ratio of elemental sulfur (S8) and base. Sulfur-containing compound with high sulfur values was obtained using solvents with low dielectric constants and with lower base equivalents compared to S8.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":"43 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141256766","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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