Israel Journal of Chemistry最新文献_第2页

A Regioselective and Modular Chemoenzymatic Strategy for the Synthesis of O-GalNAc Glycans and Disialyl Galacto-N-Bioses 区域选择性和模块化化学酶策略合成O-GalNAc聚糖和双醇性半乳糖- n -生物糖

IF 2.4 4区化学

Israel Journal of Chemistry Pub Date : 2026-01-28 DOI: 10.1002/ijch.70009

Min-Cheng Chien, Ting-Yi Lee, Avijit K. Adak, Chun-Cheng Lin

{"title":"A Regioselective and Modular Chemoenzymatic Strategy for the Synthesis of O-GalNAc Glycans and Disialyl Galacto-N-Bioses","authors":"Min-Cheng Chien, Ting-Yi Lee, Avijit K. Adak, Chun-Cheng Lin","doi":"10.1002/ijch.70009","DOIUrl":"10.1002/ijch.70009","url":null,"abstract":"Glycosylation plays a vital role in cellular functions, yet the synthesis of complex mucin-type O-glycans such as disialyl galacto-N-biose (DSGNB) remains significant challenge due to structural complexity and enzyme specificity. A modular chemoenzymatic strategy employing bacterial glycosyltransferases BiGalHexNAcP, LgtD, Cst-I, and an engineered Psp2,6ST A366G for the regioselective synthesis of DSGNB analogs is reported. A panel of GalNR-based acceptors (11–14), varying in anomeric configuration, aglycone, and amine protection, enables sequential one-pot β1,3-galactosylation to generate diverse GNB derivatives. BiGalHexNAcP exhibits strong preference for α-GalNR with allyl linkers and N-acetyl-protection, whereas LgtD shows broader tolerance. Subsequent α2,3-sialylation with Cst-I and CMP-Neu5Ac affords monosialyl GNBs (MSGNB, 2–10) in 80%–100% yield within 1–2 h. Final α2,6-sialylation with Psp2,6ST furnishes DSGNB (1b) regio- and stereoselectively from β-O-allyl MSGNB 3 (93% yield), while the α-O-allyl acceptor 2 produces a DSGNB:iso-DSGNB mixture (2:1). Notably, β-O-benzyl aglycones further enhance regioselectivity to 6:1. Molecular docking provides mechanistic insight, showing that in β-O-allyl MSGNB 3, the GalNAc C6-OH is positioned closer to catalytic Asp232 than in the α-O-linked analog. The method also enables the synthesis of disialyl T-antigen in 70% yield, demonstrating a broadly applicable platform for constructing well-defined O-GalNAc glycans with potential applications in biomedical research and therapeutic development.","PeriodicalId":14686,"journal":{"name":"Israel Journal of Chemistry","volume":"66 1","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146148257","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

The New Science of Composite Materials 复合材料的新科学

IF 2.4 4区化学

Israel Journal of Chemistry Pub Date : 2025-12-22 DOI: 10.1002/ijch.70007

Gad Marom

{"title":"The New Science of Composite Materials","authors":"Gad Marom","doi":"10.1002/ijch.70007","DOIUrl":"https://doi.org/10.1002/ijch.70007","url":null,"abstract":"This work reviews the conceptual and technological evolution of composite materials, emphasizing the transition from early fiber-reinforced systems to contemporary nanocomposites and molecular composites. The discussion begins with classical composites, showing the progression from manually fabricated glass fiber-polyester laminates (fiberglass) with isotropic properties to advanced composites that follow the introduction of high-performance fibers (carbon, aramid, and ultrahigh molecular weight polyethylene) of anisotropic crystallinity. The emergence of optimized laminate theories and automated manufacturing technologies enables structures with exceptional specific stiffness and strength of enhanced fracture toughness. Next, polymer nanocomposites are addressed, wherein nanoparticles, nanoplatelets, and nanofibers dramatically modify matrix behavior through mechanisms such as nanoparticle–matrix interfacial interactions, matrix nucleation, and confinement. Distinctions are drawn between nanocomposite solid solutions (weak or absent interfacial bonding) and molecular composites (strong covalent or physical bonding at the nanoparticle–matrix interface). Finally, the focus shifts toward functional applications driven by unique physical properties of nanofillers, including energy storage, electromagnetic shielding, biomedical platforms, and thermal management. Three case studies of avant-gard applications of nanocomposites illustrate this paradigm shift. Overall, the article frames the “new science” of composites as the rational design of heterogeneous, anisotropic, and nanoscale material systems optimized for structural and multifunctional performance.","PeriodicalId":14686,"journal":{"name":"Israel Journal of Chemistry","volume":"65 12","pages":""},"PeriodicalIF":2.4,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ijch.70007","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145891442","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}

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Sulfatases: Catalytic Mechanism, Substrate Preferences, and Carbohydrate-Based Inhibitor Design 硫酸酯酶：催化机制、底物偏好和碳水化合物基抑制剂设计

IF 2.4 4区化学

Israel Journal of Chemistry Pub Date : 2025-12-20 DOI: 10.1002/ijch.70004

Morgan Mayieka, Julius Benicky, Radoslav Goldman, Xuefei Huang

{"title":"Sulfatases: Catalytic Mechanism, Substrate Preferences, and Carbohydrate-Based Inhibitor Design","authors":"Morgan Mayieka, Julius Benicky, Radoslav Goldman, Xuefei Huang","doi":"10.1002/ijch.70004","DOIUrl":"https://doi.org/10.1002/ijch.70004","url":null,"abstract":"Heparan sulfate (HS) is a linear polysaccharide in the family of glycosaminoglycans (GAGs) consisting of diversely sulfated repeating glucosamine-uronic acid disaccharide units, which play important roles in many important biological processes. The sulfate moieties in HS can significantly impact HS functions. Sulfatases are a class of enzymes that can cleave the sulfates from HS, thus modulating their activities. Sulfatases have been shown to play important roles in various pathophysiological conditions, including proliferation and migration of cancer cells, lysosomal diseases, congenital anomalies, and bacterial pathogenesis. In this review, following a general introduction on sulfatase, their enzymatic mechanism is discussed. Subsequently, their substrate scope is presented. The understanding of these molecular determinants has aided the rational design of inhibitors that mimic natural sulfated substrates. Efforts in developing a wide range of sulfatase inhibitors are summarized. Such inhibitors, including sulfamate analogs, can provide valuable insights into the sulfatase functions and provide leads as potential therapeutics targeting sulfatase-related diseases such as cancer.","PeriodicalId":14686,"journal":{"name":"Israel Journal of Chemistry","volume":"65 12","pages":""},"PeriodicalIF":2.4,"publicationDate":"2025-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ijch.70004","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824718","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}

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The Cubic π-Phase of Tin Monosulfide: From Synthesis to Applications—A Current Review 一硫化锡的立方π相：从合成到应用的研究进展

IF 2.4 4区化学

Israel Journal of Chemistry Pub Date : 2025-12-20 DOI: 10.1002/ijch.70003

Susmita Paul, Yuval Golan

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Cover Picture: (Isr. J. Chem. 12/2025) 封面图片：(Isr。J. Chem. 12/2025)

IF 2.4 4区化学

Israel Journal of Chemistry Pub Date : 2025-12-19 DOI: 10.1002/ijch.202580801

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Efficient Synthesis of p-Tolyl 6-Deoxy-d-Heptopyranose Thioglycosides 高效合成对toyl - 6-脱氧-d-庚氨糖硫甙

IF 2.4 4区化学

Israel Journal of Chemistry Pub Date : 2025-11-29 DOI: 10.1002/ijch.70001

V. Narasimharao Thota, Todd L. Lowary

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Cover Picture: (Isr. J. Chem. 10-11/2025) 封面图片：(Isr。化学学报。10 / 11/2025)

IF 2.4 4区化学

Israel Journal of Chemistry Pub Date : 2025-11-29 DOI: 10.1002/ijch.202580701

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Uncovering the Multifunctional Roles of Metal-Organic Frameworks in Protecting Lithium Metal Anodes Assisted by Large Language Models 揭示金属-有机框架在大型语言模型辅助下保护锂金属阳极中的多功能作用

IF 2.4 4区化学

Israel Journal of Chemistry Pub Date : 2025-11-29 DOI: 10.1002/ijch.70002

Xinyu Wang, Jiaxin Li, Chunpeng Yang

{"title":"Uncovering the Multifunctional Roles of Metal-Organic Frameworks in Protecting Lithium Metal Anodes Assisted by Large Language Models","authors":"Xinyu Wang, Jiaxin Li, Chunpeng Yang","doi":"10.1002/ijch.70002","DOIUrl":"https://doi.org/10.1002/ijch.70002","url":null,"abstract":"Metal-organic frameworks (MOFs) can alleviate the problems encountered in the application of lithium metal anodes, owing to their tunable structure, abundant pore channels, and controllable surface chemistry ingredient. In this review, large language model (LLM)-assisted text-mining system is utilized to analyze recent literature on MOFs for protecting lithium anodes. LLMs can help us efficiently extract and integrate literature data as assistants, and categorize the functions of MOFs in anode protection into the following four types: 1) ion-flux regulators that homogenize lithium ion (Li+) flow by restricting the pore channels, 2) catalytic mediators that induce the formation of a stable solid electrolyte interphase layer, 3) interfacial shielding layers that physically block side reactions, and 4) volume expansion mitigators that buffer stress through a porous framework. Finally, the findings in MOFs-modified lithium metal anodes to other metal anodes such as sodium and zinc, aiming to derive universal principles that can provide insights for the design and development of metal anode protection materials. This article also demonstrates the huge potential of the LLM-driven research paradigm in the field of chemical materials, providing a data-driven, human-artificial intelligence collaborative approach for the development of materials in the future.","PeriodicalId":14686,"journal":{"name":"Israel Journal of Chemistry","volume":"65 10-11","pages":""},"PeriodicalIF":2.4,"publicationDate":"2025-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145619377","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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Acetonitrile Liquid Phase Modeling by the Quantum Cluster Equilibrium Theory 用量子团簇平衡理论模拟乙腈液相

IF 2.4 4区化学

Israel Journal of Chemistry Pub Date : 2025-09-27 DOI: 10.1002/ijch.70000

Josué Maya, Alhadji Malloum, Jean Jules Fifen, Zoubeida Dhaouadi, Henri Paul Ekobena Fouda, Jeanet Conradie

{"title":"Acetonitrile Liquid Phase Modeling by the Quantum Cluster Equilibrium Theory","authors":"Josué Maya, Alhadji Malloum, Jean Jules Fifen, Zoubeida Dhaouadi, Henri Paul Ekobena Fouda, Jeanet Conradie","doi":"10.1002/ijch.70000","DOIUrl":"https://doi.org/10.1002/ijch.70000","url":null,"abstract":"This work aims to investigate liquid acetonitrile clusters considering the modified rigid-rotor harmonic oscillator and frequency corrections in the quantum cluster equilibrium (QCE) theory. To carry out this study, acetonitrile isomers with size n ranging from 1 to 12 are considered. Those isomers are generated using the flexible and rapid ABCluster generator distributions while avoiding poor symmetry. After that, geometry optimization and frequency calculations are performed on the selected structures to serve as inputs for applying the quantum cluster equilibrium theory. The temperature range covering the liquid acetonitrile, going from T = 200 to 400 K, is considered with the rigid rotor harmonic oscillator cutoff values of 50 and 100 cm−1. The results show that the population of liquid acetonitrile is dominated by dodecamers, trimers, dimers, and tetramers, as identified in previously studied structures, across the range of liquid acetonitrile temperatures. The thermodynamic properties, such as the entropy and enthalpy of vaporization obtained by the QCE theory, have been compared to the experiment, yielding a relatively good agreement depending on the cluster set considered. Furthermore, based on the predicted population of the liquid acetonitrile, the infrared spectrum has been calculated at 298 K.","PeriodicalId":14686,"journal":{"name":"Israel Journal of Chemistry","volume":"65 8-9","pages":""},"PeriodicalIF":2.4,"publicationDate":"2025-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ijch.70000","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145146842","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}

引用次数: 0

Cover Picture: (Isr. J. Chem. 8-9/2025) 封面图片：(Isr。化学学报，8 / 9/2025)

IF 2.4 4区化学

Israel Journal of Chemistry Pub Date : 2025-09-03 DOI: 10.1002/ijch.202580601

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