ChemPlusChem最新文献

Hydrophobic Covalent Organic Frameworks as a Platform for Instantaneous and High-Capacity Immobilization of Diutina (Candida) rugosa Lipase: A Simple Strategy to Boost Enzyme Activity 疏水共价有机框架作为瞬间和高容量固定化假丝酵母脂肪酶的平台：提高酶活性的简单策略。

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-11-04 DOI: 10.1002/cplu.70284

Leticia Dobler, Mirian Lima de Almeida Lippi, Luiz Octávio Mateus Nogueira, Davi Forastieri Tostes, Alexandre da Silva França, Fábio Junior Ferreira da Silva Henrique, Leandro Sodré de Abreu, Gabriel Almeida Mendonça da Silva, Cesar Aguzzoli, Sidnei Moura e Silva, Rodrigo O. M. A. de Souza, Rodrigo Volcan Almeida, Pierre Mothé Esteves, Raoni Schroeder Borges Gonçalves

{"title":"Hydrophobic Covalent Organic Frameworks as a Platform for Instantaneous and High-Capacity Immobilization of Diutina (Candida) rugosa Lipase: A Simple Strategy to Boost Enzyme Activity","authors":"Leticia Dobler, Mirian Lima de Almeida Lippi, Luiz Octávio Mateus Nogueira, Davi Forastieri Tostes, Alexandre da Silva França, Fábio Junior Ferreira da Silva Henrique, Leandro Sodré de Abreu, Gabriel Almeida Mendonça da Silva, Cesar Aguzzoli, Sidnei Moura e Silva, Rodrigo O. M. A. de Souza, Rodrigo Volcan Almeida, Pierre Mothé Esteves, Raoni Schroeder Borges Gonçalves","doi":"10.1002/cplu.70284","DOIUrl":"10.1002/cplu.70284","url":null,"abstract":"Covalent Organic Frameworks (COFs) are emerging as promising platforms for enzyme immobilization; however, the impact of their structural and chemical properties on adsorption and enzymatic activity remains underexplored. Here, Diutina rugosa lipase (DrL) was immobilized on four COFs (RIO-12, RIO-13, RIO-54, and RIO-55) synthesized from simple, commercially available precursors. The effects of COF chemical composition and textural properties on adsorption dynamics and catalytic performance were evaluated. Immobilization occurred almost instantaneously, reaching completion in less than 10 s regardless of the COF used, with loading efficiencies of 99.8%–99.9%, protein binding capacities of approximately 44 mg g−1 of support, and enzyme leaching below 0.3% per washing cycle for all composites. Our results show that fully organic COF surfaces, rich in aromatic and nitrogen-containing functional groups, exhibit a strong affinity for lipases, enabling rapid immobilization primarily driven by hydrophobic interactions, whereas pore size and surface area play a secondary role. In contrast, enzymatic activity was strongly influenced by surface area, likely through a positive partition effect that increases the local substrate concentration near the enzyme. Notably, RIO-12 exhibited a remarkable enhancement in activity, achieving a specific activity 14.8-fold higher than that of the free enzyme (408.5 vs. 27.7 U mg−1).","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cplu.70284","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149331837","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

Circular Valorization of Apple Pomace: Biochar for Co(II) Remediation and Catalytic High-Density Polyethylene Pyrolysis 苹果渣循环增值：用于Co（II）修复和催化高密度聚乙烯热解的生物炭。

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-11-04 DOI: 10.1002/cplu.70277

Nataliia Prybora, Anastasiia Skrypka, Bohdan Korinenko, Dmytro Kamenskyh, Mariia Baran, Oleksandr Bondarchuk, Nataliia Stoliarchuk, Inna Melnyk

{"title":"Circular Valorization of Apple Pomace: Biochar for Co(II) Remediation and Catalytic High-Density Polyethylene Pyrolysis","authors":"Nataliia Prybora, Anastasiia Skrypka, Bohdan Korinenko, Dmytro Kamenskyh, Mariia Baran, Oleksandr Bondarchuk, Nataliia Stoliarchuk, Inna Melnyk","doi":"10.1002/cplu.70277","DOIUrl":"10.1002/cplu.70277","url":null,"abstract":"Apple pomace can be converted into functional materials for sequential environmental and catalytic applications. Biochars were prepared by stepwise heating at 300, 450, and 600 °C (APB-300-600) and treatment at 700 °C (APB-700). Characterization revealed poorly ordered carbon, mineral constituents, and oxygen-containing functional groups. Both materials had low specific surface areas of 0.1–2.0 m2 g−1, similar titratable acidity, and negative zeta potentials at the adsorption pH. APB-700 exhibited higher Co(II) uptake, reaching ~9.0 versus 6.0 mg g−1 for APB-300-600 within the investigated concentration range. Nonlinear fitting favored the Freundlich isotherm for both biochars. X-ray photoelectron spectroscopy (XPS) confirmed surface cobalt retention. Combined FT-IR and XPS changes supported surface complexation involving oxygen-containing sites, while surface K+ and Mg2+ depletion suggested a possible contribution from cation exchange. Co2+-loaded APB-700 was subsequently reused in high-density polyethylene (HDPE) pyrolysis. Compared with unloaded APB-700 at the same nominal polymer and catalyst loadings, the spent material shortened the process from 7 h 50 min to 3 h 40 min and increased the reported gas yield while retaining a gas composition rich in light hydrocarbons. These findings demonstrate a sequential application of apple pomace biochar that connects metal-ion removal from water with plastic-waste conversion.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149331836","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

Selective Oxidation of Lignin to Vanillin Over a Carbon-Encapsulated Cobalt Catalyst Derived From Chitin 甲壳素碳包覆钴催化剂上木质素选择性氧化制香兰素的研究。

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-11-03 DOI: 10.1002/cplu.70283

Yuxin Ji, Changyu Weng, Jianguo Liu

{"title":"Selective Oxidation of Lignin to Vanillin Over a Carbon-Encapsulated Cobalt Catalyst Derived From Chitin","authors":"Yuxin Ji, Changyu Weng, Jianguo Liu","doi":"10.1002/cplu.70283","DOIUrl":"10.1002/cplu.70283","url":null,"abstract":"Vanillin is a high-value aromatic aldehyde with broad applications, yet its production increasingly relies on sustainable feedstocks like lignin. Herein, we report the synthesis of vanillin from wheat straw lignin using a cobalt catalyst consisting of carbon-encapsulated cobalt nanoparticles (Co@CT). The Co@CT catalyst, synthesized via a one-pot impregnation–calcination method, features well-dispersed Co nanoparticles of approximately 20 nm that are encapsulated by a thin N-containing carbon shell, with a specific surface area of 169.6 m2/g. Comprehensive characterization confirmed the presence of metallic Co0 and a protective carbon shell, which contributed to improved catalyst stability and facilitated electron transfer. In the catalytic oxidation of raw wheat straw lignin, Mn@CT, Co@CT, and MnCo(2M)@CT showed comparable activity, and Co@CT, which gave the highest vanillin yield, was selected for further optimization. Under optimized aqueous alkaline conditions of 150 °C, 1.25 MPa air, 2 M NaOH, and 75 min, a vanillin yield of 8.74 wt% was achieved. This approach, combining a bioderived cobalt catalyst with mild aqueous alkaline conditions, provides a promising and environmentally friendly route for the valorization of lignin into vanillin.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149316451","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

Understanding the Deactivation of Ni–WOx/SiO2 Catalysts During Aqueous-Phase 5-Hydroxymethylfurfural Hydrogenation to 2,5-Tetrahydrofurandimethanol 水相5-羟甲基糠醛加氢制备2,5-四氢呋喃二甲醇过程中Ni-WOx /SiO2催化剂失活研究

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-11-01 DOI: 10.1002/cplu.70281

Hairong Zhang, Jinhui Kou, Keran Xu, Haijun Guo, Hailong Li, Xuefang Chen, Lian Xiong, Xinde Chen

{"title":"Understanding the Deactivation of Ni–WOx/SiO2 Catalysts During Aqueous-Phase 5-Hydroxymethylfurfural Hydrogenation to 2,5-Tetrahydrofurandimethanol","authors":"Hairong Zhang, Jinhui Kou, Keran Xu, Haijun Guo, Hailong Li, Xuefang Chen, Lian Xiong, Xinde Chen","doi":"10.1002/cplu.70281","DOIUrl":"https://doi.org/10.1002/cplu.70281","url":null,"abstract":"Converting 5-hydroxymethylfurfural (HMF) to 2,5-tetrahydrofurandimethanol (THFDM) is a critical route for biomass valorization. In this study, we designed a silica-supported Ni–WOx/SiO2 catalyst for this reaction, which showed high initial activity with near-complete HMF conversion and a 95.64% THFDM yield under mild aqueous conditions (90 °C, 5 MPa H2, 4 h). This performance originates from a synergistic Ni–WOx interaction that promotes furan ring hydrogenation, and no significant sintering was observed. However, selectivity progressively declines upon recycling despite stable conversion. Comprehensive characterizations (TGA, liquid-phase ICP, BET, and HRTEM) rule out graphitic carbon deposition, actual tungsten leaching (<0.34%), and metal sintering as primary causes. Instead, the selectivity loss is a dual-pathway deactivation: physical masking of critical Ni0–WOx active sites by strongly adsorbed humin-like oligomers, and irreversible thermal collapse of the mesoporous SiO2 support during high-temperature regeneration. This mechanistic elucidation provides valuable guidance for rationally designing more durable Ni-based catalysts for aqueous-phase biomass conversion.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149310799","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

A Luminescent Benzimidazole-Linked Porphyrin Covalent Organic Polymer for Sensitive and Reversible Sensing of Roxarsone in Aqueous Media 发光苯并咪唑-卟啉共价有机聚合物对洛克沙酮在水介质中的敏感和可逆传感

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-11-01 DOI: 10.1002/cplu.70282

Alenthwar Vamshi Krishna, Karuppaiya Balamurugan, Mannanthara Kunhumon Noushija, Deivasigamani Umadevi, Sankarasekaran Shanmugaraju

{"title":"A Luminescent Benzimidazole-Linked Porphyrin Covalent Organic Polymer for Sensitive and Reversible Sensing of Roxarsone in Aqueous Media","authors":"Alenthwar Vamshi Krishna, Karuppaiya Balamurugan, Mannanthara Kunhumon Noushija, Deivasigamani Umadevi, Sankarasekaran Shanmugaraju","doi":"10.1002/cplu.70282","DOIUrl":"https://doi.org/10.1002/cplu.70282","url":null,"abstract":"The selective detection of toxic organoarsenic compounds in aqueous media presents a significant environmental and analytical challenge. In this study, we report a luminescent benzimidazole-linked porphyrin covalent organic polymer (Por-BPI-COP) designed for the fluorescence-based detection of roxarsone (ROX) in aqueous media. Por-BPI-COP is readily synthesized using a one-pot, metal-free polycondensation reaction and characterized using standard spectroscopic and microscopic techniques. It demonstrates excellent thermal and chemical stability and strong intrinsic luminescence. Upon titration with ROX, Por-BPI-COP exhibits efficient fluorescence “turn-off” sensing behavior, achieving a Stern-Volmer quenching constant (KSV) of 9.0 × 103 M−1, a limit of detection of 6.8 nM, and a fluorescence quenching efficiency of approximately 46%. Steady-state and time-resolved spectroscopic studies indicate that static quenching primarily underlies the sensing response. This mechanism arises from ground-state donor–acceptor interactions between the π-conjugated polymer framework and the electron-deficient ROX, further supported by specific hydrogen-bonding interactions. The sensor also displays high selectivity for ROX, reversible fluorescence recovery across multiple sensing cycles, and reliable performance in real water samples. Furthermore, DFT calculations provided molecular-level insight into the interaction between ROX and Por-BPI-COP. This work establishes benzimidazole-linked porphyrin COPs as a promising new class of luminescent materials for detecting organoarsenic compounds in aqueous environments.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149310798","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

Correction to “One-Step Electrodeposition of Feather-Like Au–Ag–CoOx-Based Composite Materials on Screen-Printed Carbon Electrode for Sertraline Sensing” 更正“在丝网印刷碳电极上一步电沉积羽毛状au - ag - coox基复合材料用于舍曲林传感”。

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-10-30 DOI: 10.1002/cplu.70279

引用次数: 0

The Impact of Iron-Containing Particulate Matter on the Chemical Degradation of Cellulose Acetate in Collections 含铁颗粒物对收集物中醋酸纤维素化学降解的影响。

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-10-29 DOI: 10.1002/cplu.70265

Francesca Azolini, Katherine Curran, Simoní Da Ros, Adam Gibson

{"title":"The Impact of Iron-Containing Particulate Matter on the Chemical Degradation of Cellulose Acetate in Collections","authors":"Francesca Azolini, Katherine Curran, Simoní Da Ros, Adam Gibson","doi":"10.1002/cplu.70265","DOIUrl":"10.1002/cplu.70265","url":null,"abstract":"Particulate matter (PM) can interact with environmental factors, contributing to the chemical and physical degradation of cultural heritage materials. Although the influence of PM on polymeric materials has been widely reported—often linked to degradation in both functional and aesthetic properties—its specific impact on chemical stability remains insufficiently explored, necessitating further study to elucidate potential implications. In particular, the impact of PM on degrading cellulose acetate (CA) remains unclear, especially in storage environments employing open containment and controlled ventilation which may inadvertently promote PM accumulation. Previous studies on cellulose fibers identified a correlation between higher iron concentrations in PM and aggravated chemical degradation. Focussing on CA, this paper investigates the impact of PM on CA degradation, with particular emphasis on the role of iron in mediating chemical instability. Degradation was assessed through changes in surface appearance, degree of substitution, plasticizer content, VOC emissions, weight loss, and spectral changes in artificially aged and unaged plastic samples. Analytical techniques included scanning electron microscopy, Fourier-transform infrared spectroscopy, thin-film solid-phase microextraction gas chromatography/mass spectrometry, and visible spectrophotometry. Findings indicate that iron in PM can accelerate deacetylation of CA. These results have implications for refining conservation strategies and mitigating risks associated with historical CA objects in both displayed and storage conditions.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cplu.70265","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149293549","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

Triptycene-Based Organic Nanosheet Assemblies via Reversible Boronic Ester Formation: Alkyl Chain Length-Dependent Formation and Aggregation 通过可逆硼酯形成的基于三叶草烯的有机纳米片组装：烷基链长度依赖的形成和聚集。

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-10-27 DOI: 10.1002/cplu.70276

Hironobu Hayashi, Kizuku Yamamoto, Madhuparna Chakraborty, Junko Aimi, Nobuyuki Ishida, Naoki Aratani, Hiroko Yamada

{"title":"Triptycene-Based Organic Nanosheet Assemblies via Reversible Boronic Ester Formation: Alkyl Chain Length-Dependent Formation and Aggregation","authors":"Hironobu Hayashi, Kizuku Yamamoto, Madhuparna Chakraborty, Junko Aimi, Nobuyuki Ishida, Naoki Aratani, Hiroko Yamada","doi":"10.1002/cplu.70276","DOIUrl":"10.1002/cplu.70276","url":null,"abstract":"A bottom-up strategy for the preparation of triptycene-based organic nanosheet assemblies through reversible boronic ester formation is presented. The triptycene scaffold enables the orthogonal placement of alkyl substituents and boronic ester-forming sites, providing a molecular platform to examine how peripheral alkyl chains influence nanosheet formation and aggregation. Time-dependent microscopy observations revealed alkyl-chain-length-dependent assembly behavior. Hexyl-substituted precursors afforded sheet-like domains at an earlier stage, whereas methyl- and ethyl-substituted analogs showed slower formation of less-defined nanosheet-like morphologies. These results indicate that longer alkyl chains are associated with earlier formation of sheet-like domains and stronger aggregation; however, this alkyl-chain effect is described as an empirical trend rather than a definitively established mechanism. Infrared spectroscopy supported boronic ester formation, and single-crystal structures of partial molecular analogs confirmed the orthogonal arrangement of the alkyl substituents relative to the framework-forming units. Absorption measurements showed a slight red-shift for the nanosheet assemblies relative to the corresponding reference compounds, consistent with modest extension of electronic communication within the boronic ester-linked framework. This study provides a case study showing that peripheral alkyl substituents can influence the formation and aggregation behavior of triptycene-based organic nanosheet assemblies, offering useful insight into the development of dispersible 2D organic materials.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13713105/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149284333","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

Redox-Active Verdazyl Radical Polymers via Postpolymerization Modification of Active Ester Polymers 活性酯聚合物聚合后改性的氧化还原活性Verdazyl自由基聚合物。

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-10-27 DOI: 10.1002/cplu.70269

Theo A. Ellingsen, James D. Randall, Bhagya Dharmasiri, Wesley J. Olivier, Luke C. Henderson, Melissa K. Stanfield, Stuart C. Thickett, Rebecca O. Fuller

{"title":"Redox-Active Verdazyl Radical Polymers via Postpolymerization Modification of Active Ester Polymers","authors":"Theo A. Ellingsen, James D. Randall, Bhagya Dharmasiri, Wesley J. Olivier, Luke C. Henderson, Melissa K. Stanfield, Stuart C. Thickett, Rebecca O. Fuller","doi":"10.1002/cplu.70269","DOIUrl":"10.1002/cplu.70269","url":null,"abstract":"Organic radical polymers (ORPs) are constructed with 1,5-dimethyl-6-oxoverdazyl radicals for assessment as redox-active materials. The ORPs were synthesized through the postpolymerization modification (PPM) of poly(pentafluorophenyl methacrylate) (P1) and poly(pentafluorophenyl acrylate) (P2) with either 1,5-dimethyl-3-(p-aniline)-6-oxoverdazyl (1), 1,5-dimethyl-3-(4-methylamine-(1,1ʹ-biphenyl))-6-oxoverdazyl (2) or 1,5-dimethyl-3-(4-methylamine-(1,1ʹ-biphenyl))-6-oxoverdazyl (3). To overcome the limited stability of 1, radicals containing bulky C3 substituents and alkyl spacers to the heteroatom of the 4-methylamine or 4-hydroxymethyl moiety were synthesized from high yielding (78%–98%) Suzuki–Miyaura cross-couplings. The large cell potential (E°cell(3) = 1.67 V) and radical stability ensure these are well suited to fundamental electrochemical proof of concept studies when incorporated into a polymer. Variable radical attachment (0%–75%) was observed in PPM reactions. The ester aminolysis of P2 yielded the highest radical containing polymer (P2-2; 75%). As a proof-of-concept electrochemical demonstration, P2-2 and P2-3 exhibited a reversible redox couple at 3.43 V (vs. Li/Li+), successfully validating the redox activity of the verdazyl-functionalized polymers in a coin cell.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13713106/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149284343","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

High-Resolution DNA Structures and Drug Targeting of Short Tandem Repeats in Repeat Expansion Disorders 重复扩增疾病中短串联重复序列的高分辨率DNA结构和药物靶向。

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-10-27 DOI: 10.1002/cplu.70278

Kaitengjie Jie, Zilong Li, Ning Xu, Yingying Zhang, Jingjing Ma, Yuan Liu, Qi Lei, Pei Guo

{"title":"High-Resolution DNA Structures and Drug Targeting of Short Tandem Repeats in Repeat Expansion Disorders","authors":"Kaitengjie Jie, Zilong Li, Ning Xu, Yingying Zhang, Jingjing Ma, Yuan Liu, Qi Lei, Pei Guo","doi":"10.1002/cplu.70278","DOIUrl":"10.1002/cplu.70278","url":null,"abstract":"Short tandem repeats (STRs) are DNA sequences with repeating units of 1–6 nucleotides widely distributed in the human genome. Expansions of STRs cause over 50 repeat expansion disorders, owing to their ability to adopt noncanonical DNA structures that drive genetic instabilities. Targeting the three-dimensional (3D) structures of STRs has emerged as a promising strategy for disease therapy. In this review, we organize their predominant non-B DNA folds including slipped-strand hairpins and mismatch-containing duplexes by CNG repeats, mini-dumbbell folds by pyrimidine-rich repeats, G-quadruplexes by guanine-rich repeats, and triplex/zipper-hairpin conformations by other repeats. We delineate how sequence-encoded mismatch geometries, loop architectures, and groove dimensions create molecular recognition surfaces. We further survey small-molecule ligands that recognize the non-B DNA structures of STRs, assess the pharmacological limitations of non-B DNA structure-targeting ligands, and discuss challenges in structure-guided drug discovery arising from structural polymorphisms and conformational dynamics of STRs. We also highlight how molecular dynamics simulations bridge the resolution gap between static structural snapshots and dynamic conformational ensembles, and outline how multimodal structural biology of STRs will advance structure-guided ligand discovery.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 11","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149284350","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