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Corona Discharge-Assisted Formation of Luminescent Mos2 Nanosheets and Their Application as a Turn-On Sensor for Lead (II) Ions
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-06 DOI: 10.1002/slct.202405348
Bhasha Sathyan, Ann Mary Tomy, Abhishek Verma, Jobin Cyriac

The thin layers of MoS2 nanosheets possess unique optoelectronic properties. Consequently, numerous methods have been explored to fabricate uniform MoS2 nanosheets, including chemical vapor deposition, mechanical exfoliation, and liquid-phase exfoliation. Here, we report an effective approach for synthesizing few-layer MoS2 nanosheets by a corona discharge set-up. The number of layers and size of MoS2 nanosheets were validated using transmission electron microscopy (TEM), atomic force microscopy (AFM), and Raman spectroscopy. The nanosheets exhibit luminescence, and a simple, fluorescent-based sensor for the detection of lead (II) is demonstrated that uses lead (II)-induced fluorescence enhancement of MoS2 nanosheets. The sensor has a dynamic range of 0.5−9.0 µmol/L toward Pb2+ detection, along with selectivity for Pb2+ in the presence of other metal ions and common organic molecules. The sensor exhibits excellent repeatability and reproducibility, making it an ideal candidate for practical applications in environmental monitoring. Hence this study not only paves the way for new methods to be developed in the future for producing fluorescent multilayer transition metal dichalcogenides with high quantum yields but also offers a flexible and long-lasting sensing platform.

{"title":"Corona Discharge-Assisted Formation of Luminescent Mos2 Nanosheets and Their Application as a Turn-On Sensor for Lead (II) Ions","authors":"Bhasha Sathyan,&nbsp;Ann Mary Tomy,&nbsp;Abhishek Verma,&nbsp;Jobin Cyriac","doi":"10.1002/slct.202405348","DOIUrl":"https://doi.org/10.1002/slct.202405348","url":null,"abstract":"<p>The thin layers of MoS<sub>2</sub> nanosheets possess unique optoelectronic properties. Consequently, numerous methods have been explored to fabricate uniform MoS<sub>2</sub> nanosheets, including chemical vapor deposition, mechanical exfoliation, and liquid-phase exfoliation. Here, we report an effective approach for synthesizing few-layer MoS<sub>2</sub> nanosheets by a corona discharge set-up. The number of layers and size of MoS<sub>2</sub> nanosheets were validated using transmission electron microscopy (TEM), atomic force microscopy (AFM), and Raman spectroscopy. The nanosheets exhibit luminescence, and a simple, fluorescent-based sensor for the detection of lead (II) is demonstrated that uses lead (II)-induced fluorescence enhancement of MoS<sub>2</sub> nanosheets. The sensor has a dynamic range of 0.5−9.0 µmol/L toward Pb<sup>2+</sup> detection, along with selectivity for Pb<sup>2+</sup> in the presence of other metal ions and common organic molecules. The sensor exhibits excellent repeatability and reproducibility, making it an ideal candidate for practical applications in environmental monitoring. Hence this study not only paves the way for new methods to be developed in the future for producing fluorescent multilayer transition metal dichalcogenides with high quantum yields but also offers a flexible and long-lasting sensing platform.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 10","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143565160","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}
引用次数: 0
Enhanced Performance of Selective Hydrogenation of Cinnamaldehyde on Surface-Oxidated SiC-Supported Pt Catalysts
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-06 DOI: 10.1002/slct.202406114
Dr. Ji-Xiao Zhao, Xin-Chao Liu, Dr. Zhi-Feng Jiao, Prof. Xiang-Yun Guo

Achieving selective hydrogenation of cinnamaldehyde (CAL) is a crucial yet challenging task due to the presence of easily hydrogenated CC and CO bonds in the CAL molecule. In this work, we report that Pt catalysts supported by surface-oxidated SiC show enhanced catalytic performance for the CAL hydrogenation. Notably, the HNO3-treated SiC-supported Pt shows the best catalytic performance. Further investigations reveal that the SiC surface is presenting a micro-oxidated state by HNO3 treatment. This is conducive to enhancing the hydrogen spillover of the catalyst surface. Additionally, this treatment altered the catalyst's hydrophobic properties, thereby boosting the adsorption of CAL. This research offers valuable insights for the design of more effective catalysts aimed at the selective hydrogenation of CAL.

{"title":"Enhanced Performance of Selective Hydrogenation of Cinnamaldehyde on Surface-Oxidated SiC-Supported Pt Catalysts","authors":"Dr. Ji-Xiao Zhao,&nbsp;Xin-Chao Liu,&nbsp;Dr. Zhi-Feng Jiao,&nbsp;Prof. Xiang-Yun Guo","doi":"10.1002/slct.202406114","DOIUrl":"https://doi.org/10.1002/slct.202406114","url":null,"abstract":"<p>Achieving selective hydrogenation of cinnamaldehyde (CAL) is a crucial yet challenging task due to the presence of easily hydrogenated CC and CO bonds in the CAL molecule. In this work, we report that Pt catalysts supported by surface-oxidated SiC show enhanced catalytic performance for the CAL hydrogenation. Notably, the HNO<sub>3</sub>-treated SiC-supported Pt shows the best catalytic performance. Further investigations reveal that the SiC surface is presenting a micro-oxidated state by HNO<sub>3</sub> treatment. This is conducive to enhancing the hydrogen spillover of the catalyst surface. Additionally, this treatment altered the catalyst's hydrophobic properties, thereby boosting the adsorption of CAL. This research offers valuable insights for the design of more effective catalysts aimed at the selective hydrogenation of CAL.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 10","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143565161","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}
引用次数: 0
Homochiral and Heterochiral Assemblies of 310-helical 1-aminocyclopropane-1-carboxylic Acid Foldamers in the Crystals
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-06 DOI: 10.1002/slct.202500137
Kazuma Kondo, Hidemasa Hikawa, Tomokatsu Enda, Shoko Kikkawa, Prof. Dr. Isao Azumaya

X-ray crystallographic analysis unambiguously revealed the molecular conformations, packing structures, and intermolecular interactions of homo-oligopeptide foldamers constructed from achiral 1-aminocyclopropane-1-carboxylic acid (Ac3c). The conformational properties of these Ac3c homo-oligopeptides, Mts-(Ac3c)n-OR (Mts = 2-mesitylenesulfonyl) 13, enabled the formation of distorted 310-helical foldamers stabilized by intramolecular hydrogen bonds. In the crystalline state, left-handed (M), and right-handed (P) 310-helical Ac3c foldamers assembled into linear networks through head-to-tail intermolecular hydrogen bonds. These networks were organized into two types: homochiral sequences (···M···M···M··· and ···P···P···P···) and heterochiral sequences (···M···P···M···P···).

{"title":"Homochiral and Heterochiral Assemblies of 310-helical 1-aminocyclopropane-1-carboxylic Acid Foldamers in the Crystals","authors":"Kazuma Kondo,&nbsp;Hidemasa Hikawa,&nbsp;Tomokatsu Enda,&nbsp;Shoko Kikkawa,&nbsp;Prof. Dr. Isao Azumaya","doi":"10.1002/slct.202500137","DOIUrl":"https://doi.org/10.1002/slct.202500137","url":null,"abstract":"<p>X-ray crystallographic analysis unambiguously revealed the molecular conformations, packing structures, and intermolecular interactions of homo-oligopeptide foldamers constructed from achiral 1-aminocyclopropane-1-carboxylic acid (Ac<sub>3</sub>c). The conformational properties of these Ac<sub>3</sub>c homo-oligopeptides, Mts-(Ac<sub>3</sub>c)<i><sub>n</sub></i>-OR (Mts = 2-mesitylenesulfonyl) <b>1</b>–<b>3</b>, enabled the formation of distorted 3<sub>10</sub>-helical foldamers stabilized by intramolecular hydrogen bonds. In the crystalline state, left-handed (<i>M</i>), and right-handed (<i>P</i>) 3<sub>10</sub>-helical Ac<sub>3</sub>c foldamers assembled into linear networks through head-to-tail intermolecular hydrogen bonds. These networks were organized into two types: homochiral sequences (<i>···M···M···M··· and ···P···P···P··</i>·) and heterochiral sequences (·<i>··M···P···M···P···</i>).</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 10","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143564537","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}
引用次数: 0
An Efficient Synthetic Method for the Key Fragment of Lifitegrast: Benzofuran-6-carboxylic Acid
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-06 DOI: 10.1002/slct.202500914
Amalorpavadoss Antony Peter Raj, Talluru Hemalatha, Thanasekaran Ponpandian

This article presents a simple and efficient method for synthesizing the key fragment of lifitegrast, benzofuran-6-carboxylic acid. The synthetic pathway involves two key conversions such as intramolecular cross-coupling and oxidative dehydrogenation reactions to obtain the target compound. The first key reaction, the cross-coupling reaction, proceeds smoothly with the use of 1.2 equivalents of zinc dust in a dimethylacetamide medium at 60°C. The second key reaction, the oxidative dehydrogenation of dihydrobenzofuran occurs comfortably with the catalytic amount of DDQ along with 6 equivalents of MnO2 in a chlorbenzene medium to generate the benzofuran moiety in good yield. We also discussed in-detail about the impurity formation and its control by adjusting the pH, reagent quantity, solvent quality etc. The proposed synthetic route has been scaled up to a multi-gram scale.The proposed approach offers several advantages, including scalability and cost-effectiveness by utilizing inexpensive and readily available raw materials.

{"title":"An Efficient Synthetic Method for the Key Fragment of Lifitegrast: Benzofuran-6-carboxylic Acid","authors":"Amalorpavadoss Antony Peter Raj,&nbsp;Talluru Hemalatha,&nbsp;Thanasekaran Ponpandian","doi":"10.1002/slct.202500914","DOIUrl":"https://doi.org/10.1002/slct.202500914","url":null,"abstract":"<p>This article presents a simple and efficient method for synthesizing the key fragment of lifitegrast, benzofuran-6-carboxylic acid. The synthetic pathway involves two key conversions such as intramolecular cross-coupling and oxidative dehydrogenation reactions to obtain the target compound. The first key reaction, the cross-coupling reaction, proceeds smoothly with the use of 1.2 equivalents of zinc dust in a dimethylacetamide medium at 60<sup>°</sup>C. The second key reaction, the oxidative dehydrogenation of dihydrobenzofuran occurs comfortably with the catalytic amount of DDQ along with 6 equivalents of MnO<sub>2</sub> in a chlorbenzene medium to generate the benzofuran moiety in good yield. We also discussed in-detail about the impurity formation and its control by adjusting the pH, reagent quantity, solvent quality etc. The proposed synthetic route has been scaled up to a multi-gram scale.The proposed approach offers several advantages, including scalability and cost-effectiveness by utilizing inexpensive and readily available raw materials.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 10","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143564701","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}
引用次数: 0
Synthesis, Computational, and Photophysical Probing Interactions of Novel Isatin-Incorporated Thiazolyl-Coumarins as Potent Antitubercular Agents
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-06 DOI: 10.1002/slct.202404193
Vinay KK, Yadav D. Bodke, Naik Shivakumar, Udayakumar Dalimba

In this work, we reported the synthesis of a novel series of isatin-incorporated thiazolyl-coumarin derivatives 4(a–h) by a one-pot three-component reaction of substituted isatin, thiosemicarbazide, and 3-(2-bromoacetyl) coumarin. The structures of the coumarin-thiazole scaffolds were precisely established by their IR, NMR, and HRMS spectral data. The UV–Vis absorption study of target molecules was investigated in six different solvents. Geometrical optimization, molecular electrostatic potential regions, and quantum chemical parameters were assessed using density functional theory (DFT) to explore the electronic properties of thiazolyl-coumarin derivatives. The synthesized compounds were screened for their in vitro antimycobacterial activity against Mycobacterium tuberculosis; all derivatives exhibited excellent antitubercular efficacy with MIC ≤ 3.25 µg/mL; among them, 4c and 4f were the most potent with a MIC of 1.56 µg/mL. Furthermore, in silico molecular docking analyses against the enoyl-ACP reductase (InhA) enzyme were conducted; all target ligands demonstrated favorable binding interactions within the active site of the InhA enzyme.

{"title":"Synthesis, Computational, and Photophysical Probing Interactions of Novel Isatin-Incorporated Thiazolyl-Coumarins as Potent Antitubercular Agents","authors":"Vinay KK,&nbsp;Yadav D. Bodke,&nbsp;Naik Shivakumar,&nbsp;Udayakumar Dalimba","doi":"10.1002/slct.202404193","DOIUrl":"https://doi.org/10.1002/slct.202404193","url":null,"abstract":"<p>In this work, we reported the synthesis of a novel series of isatin-incorporated thiazolyl-coumarin derivatives <b>4(a–h)</b> by a one-pot three-component reaction of substituted isatin, thiosemicarbazide, and 3-(2-bromoacetyl) coumarin. The structures of the coumarin-thiazole scaffolds were precisely established by their IR, NMR, and HRMS spectral data. The UV–Vis absorption study of target molecules was investigated in six different solvents. Geometrical optimization, molecular electrostatic potential regions, and quantum chemical parameters were assessed using density functional theory (DFT) to explore the electronic properties of thiazolyl-coumarin derivatives. The synthesized compounds were screened for their in vitro antimycobacterial activity against <i>Mycobacterium tuberculosis</i>; all derivatives exhibited excellent antitubercular efficacy with MIC ≤ 3.25 µg/mL; among them, <b>4c</b> and <b>4f</b> were the most potent with a MIC of 1.56 µg/mL. Furthermore, in silico molecular docking analyses against the enoyl-ACP reductase (InhA) enzyme were conducted; all target ligands demonstrated favorable binding interactions within the active site of the InhA enzyme.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 10","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143565159","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}
引用次数: 0
Synthesis of β-fluoropyrrolidines Designed to Reduce hERG Affinity in a Class of Antiparasitic Compounds
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-06 DOI: 10.1002/slct.202403837
Tanner J. Schubert, Guadalupe Calixto, Katelyn B. Richter, Suvajit Koley, Linglin Dai, Jose Teixeira, Emily Philo, Christopher D. Huston, Micky D. Tortorella, Xiaoping Chen, Marvin J. Meyers

Malaria is a parasitic disease caused by the parasite Plasmodium which results in hundreds of thousands of deaths per year. The need for new drugs for the treatment of this disease is imperative as new resistant strains of Plasmodium emerge. Previously, our group reported two related series of pyrrolidine-based antimalarial compounds. While both series were found to be orally efficacious in a mouse infection model, some analogues also showed modest affinities for the hERG ion channel. Herein, we describe the attempted synthesis of β-fluoro substituted pyrrolidine analogues of both chemotypes. In this work, we observed position-dependent chemical instability of fluorine on the pyrrolidine ring. β-fluoro substituted pyrrolidine (±)-3 was tested in the P. falciparum 3D7 assay and showed a 40-fold loss of anti-Plasmodium potency with little change in weak hERG affinity at 10 µM. In an effort to expand the utility of this work, pyrrolidine (±)-1 and fluoropyrrolidine (±)-3 were also tested against the related apicomplexan parasite Cryptosporidium parvum which causes cryptosporidiosis. Both compounds showed modest potency (EC50 = 10 µM and 12 µM, respectively), implying this series could be further optimized for treatment for cryptosporidiosis.

{"title":"Synthesis of β-fluoropyrrolidines Designed to Reduce hERG Affinity in a Class of Antiparasitic Compounds","authors":"Tanner J. Schubert,&nbsp;Guadalupe Calixto,&nbsp;Katelyn B. Richter,&nbsp;Suvajit Koley,&nbsp;Linglin Dai,&nbsp;Jose Teixeira,&nbsp;Emily Philo,&nbsp;Christopher D. Huston,&nbsp;Micky D. Tortorella,&nbsp;Xiaoping Chen,&nbsp;Marvin J. Meyers","doi":"10.1002/slct.202403837","DOIUrl":"https://doi.org/10.1002/slct.202403837","url":null,"abstract":"<p>Malaria is a parasitic disease caused by the parasite <i>Plasmodium</i> which results in hundreds of thousands of deaths per year. The need for new drugs for the treatment of this disease is imperative as new resistant strains of <i>Plasmodium</i> emerge. Previously, our group reported two related series of pyrrolidine-based antimalarial compounds. While both series were found to be orally efficacious in a mouse infection model, some analogues also showed modest affinities for the hERG ion channel. Herein, we describe the attempted synthesis of β-fluoro substituted pyrrolidine analogues of both chemotypes. In this work, we observed position-dependent chemical instability of fluorine on the pyrrolidine ring. β-fluoro substituted pyrrolidine (±)-<b>3</b> was tested in the <i>P. falciparum</i> 3D7 assay and showed a 40-fold loss of anti-<i>Plasmodium</i> potency with little change in weak hERG affinity at 10 µM. In an effort to expand the utility of this work, pyrrolidine (±)-<b>1</b> and fluoropyrrolidine (±)-<b>3</b> were also tested against the related apicomplexan parasite <i>Cryptosporidium parvum</i> which causes cryptosporidiosis. Both compounds showed modest potency (EC<sub>50</sub> = 10 µM and 12 µM, respectively), implying this series could be further optimized for treatment for cryptosporidiosis.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 10","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143565163","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}
引用次数: 0
Beta-Cyclodextrin Inclusion Complexes with Phenolic Synthetic Antioxidants: Synthesis, Spectroscopic Characterisation, Molecular Modeling, and Activity Efficiency
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-06 DOI: 10.1002/slct.202405310
Amine Ez-zoubi, Naima Boutahiri, Mohamed El fadili, Riham Sghyar, Somdutt Mujwar, Wafae Moustaid, Ayoub El-Mrabet, Abdellah Farah

Butylated hydroxytoluene (BHT) and butylated hydroxyanisole (BHA) are synthetic phenolic antioxidants widely used as additives in the food industry. In this context, beta-cyclodextrin (βCD) appears as a suitable encapsulating agent due to its bioavailability, water solubility, and high efficacy in incorporating phenolic compounds. The inclusion complexes (ICs) are prepared via the co-precipitation method, followed by freeze-drying. 1H NMR and FTIR are used to confirm the formation of the ICs. Molecular modeling, including molecular docking and molecular dynamics (MD) simulations, is conducted to investigate the interactions involved in the ICs and their thermodynamic stability, respectively. Furthermore, the effect of the inclusion complexes on antioxidant efficacy is evaluated through the scavenging capacity of DPPH. The spectroscopic methods confirmed that BHT and BHA are successfully incorporated into βCD. Molecular docking revealed the formation of hydrogen bonds, with binding energies of −5.76 and −5.16 kcal mol−1 for BHT/βCD and BHA/βCD, respectively. After performing MD simulations for 100 ns, both ICs demonstrated a high degree of stability over time. The DPPH assay showed an increase in antioxidant ability for BHT (IC50 decreased from 68.82 to 53.32 µg mL−1) but a decrease in efficiency for BHA (IC50 increased from 451.25 to 598.36 µg mL−1).

{"title":"Beta-Cyclodextrin Inclusion Complexes with Phenolic Synthetic Antioxidants: Synthesis, Spectroscopic Characterisation, Molecular Modeling, and Activity Efficiency","authors":"Amine Ez-zoubi,&nbsp;Naima Boutahiri,&nbsp;Mohamed El fadili,&nbsp;Riham Sghyar,&nbsp;Somdutt Mujwar,&nbsp;Wafae Moustaid,&nbsp;Ayoub El-Mrabet,&nbsp;Abdellah Farah","doi":"10.1002/slct.202405310","DOIUrl":"https://doi.org/10.1002/slct.202405310","url":null,"abstract":"<p>Butylated hydroxytoluene (BHT) and butylated hydroxyanisole (BHA) are synthetic phenolic antioxidants widely used as additives in the food industry. In this context, beta-cyclodextrin (βCD) appears as a suitable encapsulating agent due to its bioavailability, water solubility, and high efficacy in incorporating phenolic compounds. The inclusion complexes (ICs) are prepared via the co-precipitation method, followed by freeze-drying. <sup>1</sup>H NMR and FTIR are used to confirm the formation of the ICs. Molecular modeling, including molecular docking and molecular dynamics (MD) simulations, is conducted to investigate the interactions involved in the ICs and their thermodynamic stability, respectively. Furthermore, the effect of the inclusion complexes on antioxidant efficacy is evaluated through the scavenging capacity of DPPH. The spectroscopic methods confirmed that BHT and BHA are successfully incorporated into βCD. Molecular docking revealed the formation of hydrogen bonds, with binding energies of −5.76 and −5.16 kcal mol<sup>−1</sup> for BHT/βCD and BHA/βCD, respectively. After performing MD simulations for 100 ns, both ICs demonstrated a high degree of stability over time. The DPPH assay showed an increase in antioxidant ability for BHT (IC<sub>50</sub> decreased from 68.82 to 53.32 µg mL<sup>−1</sup>) but a decrease in efficiency for BHA (IC<sub>50</sub> increased from 451.25 to 598.36 µg mL<sup>−1</sup>).</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 10","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143565151","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}
引用次数: 0
An Eco-Friendly, Multicomponent Reaction for 2-(5-Amino-4-cyano-1H-1,2,3-triazol-1-yl)-N-aryl Acetamides: A Fine Tunable Push-Pull Chromophore With Photoelectrochemical Properties
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-06 DOI: 10.1002/slct.202405781
Vamshikrishna Y. Radhakrishna, Dr. Gopal L. Khatik, Dr. Sakthivel Kandaiah, Dr. Vipin A. Nair

Heterocyclic scaffolds with nitrogen atoms play a crucial role in biology and material science. 1,2,3-Triazole containing push-pull chromophores were tethered to aryl acetamides and studied for photoelectrochemical properties. The desired compounds were synthesized via nucleophilic substitution of 2-chloro-N-aryl acetamides with azide followed by a 1,3-dipolar cycloaddition reaction with malononitrile in the presence of a base under eco-friendly, one-pot reaction condition which avoids the isolation of the hazardous intermediate. The reaction condition tolerates a wide range of electron-donating and electron-withdrawing functional groups on the aryl ring with good yields, short reaction time and ease of operation. The oxidation potential and photocurrent measurements indicated that the presence of the electron-withdrawing substituents afforded better results with a lower oxidation potential and higher photocurrent.

含氮原子的杂环支架在生物学和材料科学中发挥着重要作用。研究人员将含有推拉发色团的 1,2,3-三唑与芳基乙酰胺相连,并对其光电化学特性进行了研究。所需的化合物是通过叠氮化物对 2-氯-N-芳基乙酰胺进行亲核取代,然后在碱存在下与丙二腈进行 1,3-二极环加成反应合成的。该反应条件可容许芳基环上的多种捐电子和吸电子官能团,而且产率高、反应时间短、操作简便。氧化电位和光电流测量结果表明,吸电子取代基的存在能带来更好的效果,氧化电位更低,光电流更高。
{"title":"An Eco-Friendly, Multicomponent Reaction for 2-(5-Amino-4-cyano-1H-1,2,3-triazol-1-yl)-N-aryl Acetamides: A Fine Tunable Push-Pull Chromophore With Photoelectrochemical Properties","authors":"Vamshikrishna Y. Radhakrishna,&nbsp;Dr. Gopal L. Khatik,&nbsp;Dr. Sakthivel Kandaiah,&nbsp;Dr. Vipin A. Nair","doi":"10.1002/slct.202405781","DOIUrl":"https://doi.org/10.1002/slct.202405781","url":null,"abstract":"<p>Heterocyclic scaffolds with nitrogen atoms play a crucial role in biology and material science. 1,2,3-Triazole containing push-pull chromophores were tethered to aryl acetamides and studied for photoelectrochemical properties. The desired compounds were synthesized via nucleophilic substitution of 2-chloro-<i>N</i>-aryl acetamides with azide followed by a 1,3-dipolar cycloaddition reaction with malononitrile in the presence of a base under eco-friendly, one-pot reaction condition which avoids the isolation of the hazardous intermediate. The reaction condition tolerates a wide range of electron-donating and electron-withdrawing functional groups on the aryl ring with good yields, short reaction time and ease of operation. The oxidation potential and photocurrent measurements indicated that the presence of the electron-withdrawing substituents afforded better results with a lower oxidation potential and higher photocurrent.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 10","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143564700","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}
引用次数: 0
Design and Synthesis of a Novel Mannitol Fumarate Ester-Based Lanthanum Alkoxide as Multifunctional Additive for Polyvinyl Chloride
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-06 DOI: 10.1002/slct.202404655
Ming-Guang Chen, Chen Yu, Xiao-Li Yu, Hong-Zhang Cao, De-Gang Li, Zhao-Gang Liu, Guo-Ping Luo

This work aims to design and develop friendly multifunctional heat stabilizers with sterilization, and lubrication for widely used polyvinyl chloride (PVC). Herein, a novel multifunctional antimicrobial thermal stabilizer, mannitol fumarate ester-based lanthanum alkoxide (MFE-La) was successfully obtained, and fully characterized. The thermal stability and processing performance of PVC were evaluated via antibacterial, hemolysis study, conductivity measurement, thermal aging, torque rheology experiments, and the mechanical tensile test. Antibacterial experiments showed that MFE-La has a bactericidal rate of more than 99% against Escherichia coli and Staphylococcus aureus; and antifungal experiment results also showed that MFE-La also provides the possibility of antifungal effects on PVC. The hemolysis experiment results showed that the hemolysis rate of MFE-La on red blood cells is about 4%. In addition, oven aging, conductivity, and UV–vis spectra measurement verified that MFE-La can significantly improve the initial and long-term thermal stability of PVC. Mechanistic studies showed that MFE-La has a good ability to absorb HCl and replace allyl chloride. The mechanical tensile test on the tensile strength of PVC showed that the elongation at break of PVC after adding MFE-La is significantly increased, indicating that MFE-La can improve the softness and elasticity of PVC. Torque rheology experiments verified that MFE-La has good plasticizing properties and lubrication properties. MFE-La has multiple functions such as retarding PVC thermal degradation, lubrication, plasticization, and sterilization, and has considerable potential in medical supplies and biomedicine application prospects.

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引用次数: 0
Exploring Cinnabar: A Natural Resource for Self-Powered Electrochemical Photodetector Application
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-06 DOI: 10.1002/slct.202405641
Peeyush Phogat,  Shreya, Ranjana Jha, Sukhvir Singh

This study investigates cinnabar (HgS) as a material for self-powered electrochemical photodetection, addressing the challenges of high-power consumption and inefficient charge transfer in conventional photodetectors. Current photodetector technologies often rely on external biasing, which limits their energy efficiency and applicability in remote sensing. In contrast, this work demonstrates that cinnabar-based devices exhibit self-powered functionality, eliminating the need for external power sources. Characterization techniques, such as X-ray diffraction and optical response measurements reveal high crystallinity, a hexagonal crystal structure, and a UV–visible absorption with a 2 eV band gap making cinnabar a strong light-harvesting material. Photoluminescence analysis shows near-white light emission, enhancing its potential in optical sensing. Thermogravimetric analysis highlights phase transitions from αHgS to βHgS, indicating thermal stability crucial for long-term device performance. Electrochemical tests including cyclic voltammetry, confirm efficient charge transfer which is essential for photodetection. Notably, cinnabar-based photodetectors exhibit self-powered operation with optimal photocurrent at 0 V bias, demonstrating rapid response, high responsivity, and enhanced stability. These results position cinnabar as a promising material for energy-efficient, next generation photodetection technologies, with potential applications in imaging, sensing, and optical communication.

{"title":"Exploring Cinnabar: A Natural Resource for Self-Powered Electrochemical Photodetector Application","authors":"Peeyush Phogat,&nbsp; Shreya,&nbsp;Ranjana Jha,&nbsp;Sukhvir Singh","doi":"10.1002/slct.202405641","DOIUrl":"https://doi.org/10.1002/slct.202405641","url":null,"abstract":"<p>This study investigates cinnabar (HgS) as a material for self-powered electrochemical photodetection, addressing the challenges of high-power consumption and inefficient charge transfer in conventional photodetectors. Current photodetector technologies often rely on external biasing, which limits their energy efficiency and applicability in remote sensing. In contrast, this work demonstrates that cinnabar-based devices exhibit self-powered functionality, eliminating the need for external power sources. Characterization techniques, such as X-ray diffraction and optical response measurements reveal high crystallinity, a hexagonal crystal structure, and a UV–visible absorption with a 2 eV band gap making cinnabar a strong light-harvesting material. Photoluminescence analysis shows near-white light emission, enhancing its potential in optical sensing. Thermogravimetric analysis highlights phase transitions from <i>α</i>HgS to <i>β</i>HgS, indicating thermal stability crucial for long-term device performance. Electrochemical tests including cyclic voltammetry, confirm efficient charge transfer which is essential for photodetection. Notably, cinnabar-based photodetectors exhibit self-powered operation with optimal photocurrent at 0 V bias, demonstrating rapid response, high responsivity, and enhanced stability. These results position cinnabar as a promising material for energy-efficient, next generation photodetection technologies, with potential applications in imaging, sensing, and optical communication.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 10","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143564704","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}
引用次数: 0
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ChemistrySelect
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