ACS Omega最新文献_第5页

Visible Light Induced Photocatalytic Degradation of Diclofenac in Aqueous Solution Using Fabricated ZnO/g-C3N4 by Facile Calcination Technique 利用简易煅烧技术制备的 ZnO/g-C3N4 在可见光诱导下光催化降解水溶液中的双氯芬酸

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-30 DOI: 10.1021/acsomega.4c0567910.1021/acsomega.4c05679

Mahmudul Hassan Suhag*, Aklima Khatun, Ikki Tateishi, Mai Furukawa, Hideyuki Katsumata and Satoshi Kaneco*,

{"title":"Visible Light Induced Photocatalytic Degradation of Diclofenac in Aqueous Solution Using Fabricated ZnO/g-C3N4 by Facile Calcination Technique","authors":"Mahmudul Hassan Suhag*, Aklima Khatun, Ikki Tateishi, Mai Furukawa, Hideyuki Katsumata and Satoshi Kaneco*, ","doi":"10.1021/acsomega.4c0567910.1021/acsomega.4c05679","DOIUrl":"https://doi.org/10.1021/acsomega.4c05679https://doi.org/10.1021/acsomega.4c05679","url":null,"abstract":"The ability of the heterojunction between two distinct semiconductors with appropriately matched band gaps to improve the separation of photogenerated electron–hole pairs has been demonstrated to enhance photocatalytic activity. Hence, ZnO/g-C3N4 composites have been fabricated by the facile deposition and calcination of ZnO and g-C3N4. X-ray photoelectron spectroscopy, powder X-ray diffraction, and Fourier transform infrared spectroscopy confirm the formation of the composite. Scanning electron microscope, transmission electron microscope, and energy-dispersive X-ray spectroscopy morphological analysis reveal that ZnO was homogeneously spread over the g-C3N4 surface. UV–vis diffuse reflectance spectroscopy analysis shows the slightly enhanced visible light absorption ability of the composite. Photoluminescence (PL) spectroscopy and electrochemical impedance spectroscopy analysis prove the higher charge separation of the composite during the irradiation of light. The composite shows admirable photocatalytic efficiency in the visible light-driven photocatalytic degradation of an aqueous diclofenac (DFC) solution. The superoxide anion radical (•O2–) and hydroxyl radical (•OH) act as reactive species during the degradation reaction. Probable reaction mechanisms have been proposed.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c05679","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609369","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

MVGNet: Prediction of PI3K Inhibitors Using Multitask Learning and Multiview Frameworks MVGNet：利用多任务学习和多视图框架预测 PI3K 抑制剂

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-30 DOI: 10.1021/acsomega.4c0622410.1021/acsomega.4c06224

Yanlei Kang, Qiwei Xia, Yunliang Jiang and Zhong Li*,

{"title":"MVGNet: Prediction of PI3K Inhibitors Using Multitask Learning and Multiview Frameworks","authors":"Yanlei Kang, Qiwei Xia, Yunliang Jiang and Zhong Li*, ","doi":"10.1021/acsomega.4c0622410.1021/acsomega.4c06224","DOIUrl":"https://doi.org/10.1021/acsomega.4c06224https://doi.org/10.1021/acsomega.4c06224","url":null,"abstract":"PI3K (phosphatidylinositol 3-kinase) is an intracellular phosphatidylinositol kinase composed of a regulatory subunit, p85, and a catalytic subunit, p110. Based on the different structures of the p110 catalytic subunit, PI3K can be divided into four isoforms: PI3Kα, PI3Kβ, PI3Kγ, and PI3Kδ. As molecularly targeted drugs, PI3K inhibitors have demonstrated antiproliferative effects on tumor cells and can also induce cancer cell death. In this study, a multiview deep learning framework (MVGNet) is proposed, which integrates fragment-based pharmacophore information and utilizes multitask learning to capture correlation information between subtasks. This framework predicts the inhibitory activity of molecules against the four PI3K isoforms (PI3Kα, PI3Kβ, PI3Kγ, and PI3Kδ). Compared to baseline prediction models based on three traditional machine learning methods (RF, SVM, and XGBoost) and four deep learning algorithms (GAT, D-MPNN, CMPNN, and KANO), our model demonstrates superior performance. The evaluation results show that our model achieves the highest average AUC-ROC and AUC-PR values on the test set, which are 0.927 ± 0.006 and 0.980 ± 0.002, respectively. This study provides a reference for exploring the structure–activity relationship of PI3K inhibitors.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c06224","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609408","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Peptide Nucleic Acids in Saturation Transfer Difference Nuclear Magnetic Resonance Experiments: A Simple and Valuable Tool for Studying HuR–Small Molecule Complexes 饱和转移差核磁共振实验中的多肽核酸：研究 HuR-小分子复合物的简单而宝贵的工具

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-30 DOI: 10.1021/acsomega.4c0624410.1021/acsomega.4c06244

Irene Gado, Martina Garbagnoli, Francesca Alessandra Ambrosio, Roberta Listro, Michela Parafioriti, Silvia Cauteruccio, Daniela Rossi, Pasquale Linciano, Giosuè Costa, Stefano Alcaro, Francesca Vasile* and Simona Collina*,

{"title":"Peptide Nucleic Acids in Saturation Transfer Difference Nuclear Magnetic Resonance Experiments: A Simple and Valuable Tool for Studying HuR–Small Molecule Complexes","authors":"Irene Gado, Martina Garbagnoli, Francesca Alessandra Ambrosio, Roberta Listro, Michela Parafioriti, Silvia Cauteruccio, Daniela Rossi, Pasquale Linciano, Giosuè Costa, Stefano Alcaro, Francesca Vasile* and Simona Collina*, ","doi":"10.1021/acsomega.4c0624410.1021/acsomega.4c06244","DOIUrl":"https://doi.org/10.1021/acsomega.4c06244https://doi.org/10.1021/acsomega.4c06244","url":null,"abstract":"Ribonucleic acid (RNA)-binding proteins (RBPs) play a key role in regulating RNA stability, fate, function, gene expression, post-transcriptional modifications, and cellular activities. Among the various RBPs identified to date, the Hu proteins have been the most extensively studied. Specifically, HuR influences several cellular processes, including cell proliferation, differentiation, and stress response, and it is frequently overexpressed in various solid tumors. Several HuR ligands have been identified so far, highlighting the druggability of such a protein. To discover the novel HuR–RNA interfering agents, biophysical assays represent a promising approach. To overcome limitations for RNA manipulation, in this work, we explored the use of PNA (peptide nucleic acid) as an RNA analogue in interaction studies. Molecular modeling simulation revealed the ability of aegPNA to bind HuR and, therefore, the synthesis of the designed PNA was conducted. The saturation transfer difference (STD) nuclear magnetic resonance (NMR) technique was adopted to evaluate the ability of HuR ligands to interfere with the HuR–PNA complex, comparing the obtained results with RNAs. Our results evidenced that PNA may be considered a simple and valuable tool to analyze the interaction and interfering properties of HuR ligands by STD-NMR, thus improving the precision and reliability of the approach.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c06244","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609357","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Identification of the Active EPA/AA-Binding Ether-Type Phosphatidylcholine Derived from the Starfish Patiria pectinifera for C2C12 Myotube Growth 鉴定从海星Patiria pectinifera中提取的用于C2C12肌管生长的活性EPA/AA结合醚型磷脂酰胆碱

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-30 DOI: 10.1021/acsomega.4c0786510.1021/acsomega.4c07865

Aoi Fukushima, Kyosuke Imamura, Naoki Takatani, Masashi Hosokawa and Fumiaki Beppu*,

{"title":"Identification of the Active EPA/AA-Binding Ether-Type Phosphatidylcholine Derived from the Starfish Patiria pectinifera for C2C12 Myotube Growth","authors":"Aoi Fukushima, Kyosuke Imamura, Naoki Takatani, Masashi Hosokawa and Fumiaki Beppu*, ","doi":"10.1021/acsomega.4c0786510.1021/acsomega.4c07865","DOIUrl":"https://doi.org/10.1021/acsomega.4c07865https://doi.org/10.1021/acsomega.4c07865","url":null,"abstract":"Concerns about nutritional approaches for promoting skeletal muscle mass and function have increased. This study assessed the effects of starfish-derived glycerophospholipids (PLs) (SPL), characterized by unique ether-linked subclasses, alkylacyl (Alk)- and alkenylacyl (Pls)-PL, on skeletal muscle function, focusing on myotube formation in C2C12 myoblasts. SPL was prepared via chloroform/methanol extraction from Patiria pectinifera, followed by silica gel chromatography fractionation. Myoblasts were induced to differentiate with or without SPL treatment. On day 7 of differentiation, 50 μg/mL of SPL treatment increased myotube diameter. The phosphatidylcholine (PC) fraction (SPC) also enhanced myotube growth at 30 μg/mL. LC–MS/MS analysis indicated the most abundant PC molecular species in SPC were Alk- and Pls-PC with eicosapentaenoic acid and arachidonic acid. Treatment with 1-O-hexadecyl-2-arachidonoyl-PC, 1–1(Z)-hexadecenyl-2-arachidonoyl-PC or 1-O-hexadecyl-2-eicosapentaenoyl-PC increased myotube diameter and myokine Il-15 mRNA expression. These results demonstrate a novel functionality of SPC and highlight the role of ether-type PC molecules in muscle function.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c07865","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Experimental Study on the Effect of H2O Concentration on the Degradation of Sulfur Hexafluoride by Two-Stage Tandem DBD H2O 浓度对两级串联 DBD 降解六氟化硫影响的实验研究

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-30 DOI: 10.1021/acsomega.4c0667710.1021/acsomega.4c06677

Ying Zhang, Mingwei Wang, Huiyu Tan, Yalong Li*, Lei Yu, Zhaodi Yang and Kun Wan,

{"title":"Experimental Study on the Effect of H2O Concentration on the Degradation of Sulfur Hexafluoride by Two-Stage Tandem DBD","authors":"Ying Zhang, Mingwei Wang, Huiyu Tan, Yalong Li*, Lei Yu, Zhaodi Yang and Kun Wan, ","doi":"10.1021/acsomega.4c0667710.1021/acsomega.4c06677","DOIUrl":"https://doi.org/10.1021/acsomega.4c06677https://doi.org/10.1021/acsomega.4c06677","url":null,"abstract":"SF6 is a greenhouse gas widely used in the power industry that cannot be directly emitted. This study employs a self-designed two-stage dielectric barrier discharge (DBD) plasma series method that was used to degrade SF6 gas and analyzes the effect of H2O concentration. The results indicate that the SF6 degradation rate (DR) initially increased and then decreased with the rise in the water vapor content. When the added H2O concentration increased from 0.5 to 1.5%, the degradation rate of SF6 increased from 89.49 to 100%, achieving complete degradation of SF6. However, when the H2O concentration further increases to 2.5%, the degradation rate of SF6 decreased to 92.83%. The energy efficiency of SF6 degradation in the primary reaction system first increased and then decreased with the increase of H2O concentration, while that of SF6 in the secondary reaction system first decreased and then increased. It was found that the products of SF6 were SO2F2, SO2, SOF2, and SOF4. The addition of H2O increased the selectivity of SO2 in the decomposition products to 75.17%, and inhibit the formation of SO2F2 and SOF2. This study provides experimental support for the degradation of SF6 waste gas and provides a research direction for its industrial application.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c06677","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609367","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Development of Functionalized Poly(ε-caprolactone)/Hydroxyapatite Scaffolds via Electrospinning 3D for Enhanced Bone Regeneration 通过电纺三维技术开发功能化聚（ε-己内酯）/羟基磷灰石支架以促进骨再生

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-30 DOI: 10.1021/acsomega.4c0526410.1021/acsomega.4c05264

Maria José da Silva Lima, Etelino Feijó de Melo, Kleber G. B. Alves, Fabrício Bezerra de Sá and Severino Alves Júnior*,

{"title":"Development of Functionalized Poly(ε-caprolactone)/Hydroxyapatite Scaffolds via Electrospinning 3D for Enhanced Bone Regeneration","authors":"Maria José da Silva Lima, Etelino Feijó de Melo, Kleber G. B. Alves, Fabrício Bezerra de Sá and Severino Alves Júnior*, ","doi":"10.1021/acsomega.4c0526410.1021/acsomega.4c05264","DOIUrl":"https://doi.org/10.1021/acsomega.4c05264https://doi.org/10.1021/acsomega.4c05264","url":null,"abstract":"Functionalized scaffolds based on biodegradable polymers are materials used in bone tissue engineering. This study presents the development of functionalized fibrous scaffolds, fabricated from poly(ε-caprolactone) (PCL) and hydroxyapatite (HA). To produce this material, a short-distance electrospinning (ES) system was developed by adapting a 3D printer. The morphology and chemical properties of the scaffolds were evaluated using scanning electron microscopy, X-ray diffraction, Fourier-transform infrared spectroscopy, and thermogravimetric analysis. The results confirmed the porous structure and the presence of hydroxyapatite throughout the entire scaffold area. Mechanical tests indicated good elasticity and tensile strength of the scaffolds, favorable for bone regeneration. In vitro tests showed high levels of cell viability. Furthermore, in vivo experiments using a calvarial defect model in rats demonstrated that the PCL/HA scaffold promoted enhanced bone regeneration. Therefore, the PCL/HA scaffold developed through the adapted electrospinning system shows promise for bone repair.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c05264","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609401","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enhanced Recyclability of Thermoplastic Elastomer Toughened Polyamide 6 via Tri- and Multi-epoxy-Terminated POSS Hybrid Additives 通过三环氧和多环氧韧化 POSS 混合添加剂提高热塑性弹性体增韧聚酰胺 6 的可回收性

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-30 DOI: 10.1021/acsomega.4c0754710.1021/acsomega.4c07547

Rumeysa Yıldırım, Olcay Mert, Güralp Özkoç and Mehmet Kodal*,

{"title":"Enhanced Recyclability of Thermoplastic Elastomer Toughened Polyamide 6 via Tri- and Multi-epoxy-Terminated POSS Hybrid Additives","authors":"Rumeysa Yıldırım, Olcay Mert, Güralp Özkoç and Mehmet Kodal*, ","doi":"10.1021/acsomega.4c0754710.1021/acsomega.4c07547","DOIUrl":"https://doi.org/10.1021/acsomega.4c07547https://doi.org/10.1021/acsomega.4c07547","url":null,"abstract":"Although widely used polymers, such as polyethylene (PE) and polypropylene (PP), are easily recyclable, complex engineering polymer blends used in the automotive sector involve recycling challenges at the end of life. This study explores the alterations in the properties of compatibilized PA6/TPE blends under multiple thermomechanical recycling conditions, especially for the automotive industry in underhood applications. The compatibilization of PA6/TPE blends was achieved through the incorporation of polyhedral oligomeric silsesquioxane (POSS) nanoparticles, specifically utilizing variants with three and multiple epoxide functional groups (TriEpPOSS and MultEpPOSS, respectively) in their cage structures. Following each recycling step, the blends were pelletized and injection-molded to characterize their morphological, rheological, mechanical, and thermomechanical properties. The findings revealed that the addition of TriEpPOSS significantly improved all properties of PA6/TPE blends throughout successive extrusion cycles. For instance, significant enhancements in Izod impact strength were achieved through the incorporation of TriEpPOSS into the PA6/TPE blend across multiple extrusion cycles. Notably, the 80PA6/20TPE blend with 1 wt % TriEpPOSS demonstrated a remarkable 685% increase in Izod impact strength compared to the same blend without TriEpPOSS following the fourth extrusion cycle. Conversely, the incorporation of MultEpPOSS slightly reduced the rheological and mechanical properties after each extrusion cycle. Nonetheless, it was observed that all properties, particularly rheological characteristics, were superior in blends compatibilized with MultEpPOSS compared to both TriEpPOSS-compatibilized and noncompatibilized blends, owing to the heightened reactivity of MultEpPOSS toward PA6.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c07547","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609597","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enhanced Delivery and Potency of Chemotherapeutics in Melanoma Treatment via Magnetite Nanobioconjugates 通过磁铁矿纳米生物共轭物增强化疗药物在黑色素瘤治疗中的输送和药效

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-30 DOI: 10.1021/acsomega.4c0741510.1021/acsomega.4c07415

Erika Díaz, Valentina Quezada, Javier Cifuentes, Nydia Yadira Arias Morales, Luis H. Reyes, Carolina Muñoz-Camargo and Juan C. Cruz*,

{"title":"Enhanced Delivery and Potency of Chemotherapeutics in Melanoma Treatment via Magnetite Nanobioconjugates","authors":"Erika Díaz, Valentina Quezada, Javier Cifuentes, Nydia Yadira Arias Morales, Luis H. Reyes, Carolina Muñoz-Camargo and Juan C. Cruz*, ","doi":"10.1021/acsomega.4c0741510.1021/acsomega.4c07415","DOIUrl":"https://doi.org/10.1021/acsomega.4c07415https://doi.org/10.1021/acsomega.4c07415","url":null,"abstract":"Melanoma, known for its aggressive metastatic potential, poses significant treatment challenges. Despite the potent antiproliferative effects of anticancer drugs, systemic toxicity and low water solubility limit their efficacy. This study addresses these challenges by employing magnetite (Fe3O4) nanobioconjugates as a drug delivery system, aimed at enhancing drug solubility and reducing off-target effects in melanoma therapy. Magnetite nanoparticles (MNPs) were engineered with functional molecules and loaded with the anticancer agents Temozolomide (TMZ) or paclitaxel (PTX). The nanobioconjugates were characterized via Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), dynamic light scattering (DLS), and transmission electron microscopy (TEM). The results validated the efficacious synthesis and drug loading, attaining efficiencies ranging from 32 to 72% for TMZ and 32 to 60% for PTX. Biocompatibility assessments demonstrated excellent tolerance, with minimal hemolysis rates and platelet aggregation. In vitro studies revealed enhanced cytotoxicity against A-375 human melanoma cells compared to free drugs, with cellular uptake facilitated primarily through macropinocytosis, caveolin-, and clathrin-mediated endocytosis. Furthermore, the nanobioconjugates exhibited significant efficacy in targeting A-375 melanoma spheroids, underlining their potential in melanoma therapy. This research underscores magnetite nanobioconjugates as a promising avenue for targeted melanoma treatment, offering enhanced drug delivery specificity and reduced systemic toxicity in oncological drug delivery systems.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c07415","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609585","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploring Photoredox Catalytic Reactions as an Entry to Glycosyl-α-amino Acids 探索光氧化催化反应作为糖基-α-氨基酸的切入点

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-30 DOI: 10.1021/acsomega.4c0741210.1021/acsomega.4c07412

Carmen Bretón, Paula Oroz*, Miguel Torres, María M. Zurbano, Pilar Garcia-Orduna, Alberto Avenoza, Jesús H. Busto, Francisco Corzana and Jesús M. Peregrina*,

{"title":"Exploring Photoredox Catalytic Reactions as an Entry to Glycosyl-α-amino Acids","authors":"Carmen Bretón, Paula Oroz*, Miguel Torres, María M. Zurbano, Pilar Garcia-Orduna, Alberto Avenoza, Jesús H. Busto, Francisco Corzana and Jesús M. Peregrina*, ","doi":"10.1021/acsomega.4c0741210.1021/acsomega.4c07412","DOIUrl":"https://doi.org/10.1021/acsomega.4c07412https://doi.org/10.1021/acsomega.4c07412","url":null,"abstract":"The synthesis of glycosyl-α-amino acids presents a significant challenge due to the need for precise glycosidic linkages connecting carbohydrate moieties to amino acids while maintaining stereo- and regiochemical fidelity. Classical methods relying on ionic intermediates (2e–) often involve intricate synthetic procedures, particularly when dealing with 2-N-acetamido-2-deoxyglycosides linked to α-amino acids─a crucial class of glycoconjugates that play important biological roles. Considering the growing prominence of photocatalysis, this study explores various photoredox catalytic approaches to achieving glycosylation reactions. Our focus lies on the notoriously difficult case of 2-N-acetamido-2-deoxyglycosyl-α-amino acids, which could be obtained efficiently by two methodologies that involved, on the one hand, photoredox Giese reactions using a chiral dehydroalanine (Dha) as an electron density-deficient alkene in these radical 1,4-additions and, on the other hand, photoredox glycosylations using selenoglycosides as glycosyl donors and hydroxyl groups of protected amino acids as acceptors.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c07412","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Benchmarking Bulb Yield, Medicinal Sulfur Compounds, and Mineral Nutrition of Garlic Varieties 以大蒜品种的球茎产量、药用硫化合物和矿物质营养为基准

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-30 DOI: 10.1021/acsomega.4c0667810.1021/acsomega.4c06678

Binh Thi Nguyen*, Johannes Bernhard Wehr, Peter Martin Kopittke, Timothy James O’Hare, Neal William Menzies, Hung Trieu Hong, Brigid Ann McKenna, Wantana Klysubun and Stephen Mark Harper*,

{"title":"Benchmarking Bulb Yield, Medicinal Sulfur Compounds, and Mineral Nutrition of Garlic Varieties","authors":"Binh Thi Nguyen*, Johannes Bernhard Wehr, Peter Martin Kopittke, Timothy James O’Hare, Neal William Menzies, Hung Trieu Hong, Brigid Ann McKenna, Wantana Klysubun and Stephen Mark Harper*, ","doi":"10.1021/acsomega.4c0667810.1021/acsomega.4c06678","DOIUrl":"https://doi.org/10.1021/acsomega.4c06678https://doi.org/10.1021/acsomega.4c06678","url":null,"abstract":"Garlic is widely cultivated for both its culinary and medicinal properties. Bulb yield, organosulfur compounds, and plant mineral nutrition of 32 garlic varieties were characterized. Across genotypes, there was large variability in bulb weight and alliin and allicin concentrations. The mineral concentration of a reference leaf was strongly positively correlated with bulb weight (for Zn, N, and K) and bulb allicin concentration (for S, Mo, and Cu). Alliin represented ∼61 and 88% of the total clove S content. In situ synchrotron-based X-ray absorption near-edge structure (XANES) analysis identified two dominant S compounds, γ-l-glutamyl-S-allyl-l-cysteine and alliin. Stoichiometric studies showed the ratio of conversion of alliin to pyruvate was consistently below the theoretical 1:1 ratio, while the ratio for conversion of alliin to allicin was consistently higher (∼1.9:1 to 3.5:1). A combination of optimized fertilizer management and genotype selection for high alliin can potentially substantially increase the yield and medicinal quality of garlic.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c06678","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609298","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0