Precision Chemistry最新文献

Stimuli-Responsive Smart Polymer: A Precise Era with Artificial Intelligence and Machine Learning 刺激响应智能聚合物：人工智能和机器学习的精确时代

IF 7.7

Precision Chemistry Pub Date : 2026-10-26 Epub Date: 2026-03-27 DOI: 10.1021/prechem.5c00375

Tamanna Pradhan, Subhajit Das, Khokan Mondal, Subrata Dolui

{"title":"Stimuli-Responsive Smart Polymer: A Precise Era with Artificial Intelligence and Machine Learning","authors":"Tamanna Pradhan, Subhajit Das, Khokan Mondal, Subrata Dolui","doi":"10.1021/prechem.5c00375","DOIUrl":"https://doi.org/10.1021/prechem.5c00375","url":null,"abstract":"Artificial intelligence (AI) and machine learning (ML)-basedsolutionsare gaining popularity in the field of accelerated material designand development. In this review, we assess AI/ML-enabled advancesin stimuli-responsive polymer informatics, with a focus on developingapplication-specific, practical polymeric materials. We look at exemplarydesign techniques in several critical and developing application areas,including materials design for energy production, storage, and conservation,as well as enabling a sustainable economy based on recyclable and/orbiodegradable polymers. Early demonstrations demonstrated that theML can accurately predict critical polymer characteristics and phasebehavior, accelerating the discovery of high-performance compositionsand optimizing processing conditions for stimuli-responsive hydrogels,thermosets, and 3D/4D printed smart structures. Integrating AI-assistedmodeling with real-time sensing in smart polymers allows for closed-loopcontrol over actuation, shape morphing, drug release, and solubility/swellingchanges in complicated, time-varying environments. The combinationof stimuli-responsive polymeric smart materials with AI/ML-drivendesign and control enables programmable, application-specific smartmaterials that correspond with precision chemistry’s goal.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 10","pages":"1511–1532"},"PeriodicalIF":7.7,"publicationDate":"2026-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282081","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Unraveling the Substituent-Controlled Fluorescence Modulation in One-Dimensional Cd-Based Coordination Polymers: A Structure–Property Relationship Study 一维cd基配位聚合物中取代基控制的荧光调制：结构-性质关系研究

IF 7.7

Precision Chemistry Pub Date : 2026-10-26 Epub Date: 2026-04-15 DOI: 10.1021/prechem.5c00453

Shuyu Wang, Qianhong Fan, Lei Wang, Zongqing Ma, Tong Yan, Qi-Hua Zhao, Lin Du

{"title":"Unraveling the Substituent-Controlled Fluorescence Modulation in One-Dimensional Cd-Based Coordination Polymers: A Structure–Property Relationship Study","authors":"Shuyu Wang, Qianhong Fan, Lei Wang, Zongqing Ma, Tong Yan, Qi-Hua Zhao, Lin Du","doi":"10.1021/prechem.5c00453","DOIUrl":"https://doi.org/10.1021/prechem.5c00453","url":null,"abstract":"The substituent engineering strategy has emerged as apowerfultool for precise modulation of the structure–property relationshipsin coordination polymers (CPs), yet the rational design of isostructuralCPs with tunable dual-channel fluorescence and integrated stimulus-responsivebehaviors remains a compelling challenge. Herein, three isostructural,one-dimensional Cd-based CPs (1–3) were rationally designed and hydrothermally synthesized via systematicsubstituent modification. Notably, the solid-state fluorescence of 1–3 is precisely regulated by the electronicand steric effects of substituents, enabling dual-channel emissionencompassing ligand-centered monomer fluorescence and excimer-derivedfluorescence. Furthermore, systematic investigations reveal that theseCPs exhibit distinct thermoresponsive and mechanoresponsive fluorescencebehaviors, which are closely correlated with substituent-induced structuralsubtlety. This work not only demonstrates the efficacy of substituentengineering in tailoring dual-channel fluorescence within isostructuralCPs but also provides insights into the design of multifunctional,stimulus-responsive fluorescent materials for potential applicationsin sensors and optoelectronics.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 10","pages":"1622–1631"},"PeriodicalIF":7.7,"publicationDate":"2026-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

3D Printing Resins Involving Exclusively Bio-Based Compounds─Can Precursors for Commercial Vat Photopolymerization Comprise Only Biobased Molecules? 仅含生物基化合物的3D打印树脂─商业还原釜光聚合的前体能否仅含生物基分子？

IF 7.7

Precision Chemistry Pub Date : 2026-10-26 Epub Date: 2026-07-30 DOI: 10.1021/prechem.6c00065

Vojtěch Jašek, Radek Přikryl

{"title":"3D Printing Resins Involving Exclusively Bio-Based Compounds─Can Precursors for Commercial Vat Photopolymerization Comprise Only Biobased Molecules?","authors":"Vojtěch Jašek, Radek Přikryl","doi":"10.1021/prechem.6c00065","DOIUrl":"https://doi.org/10.1021/prechem.6c00065","url":null,"abstract":"Vat photopolymerization exemplifies one of the most attractiveand prospective processing approaches, producing unique prototypes,specifically functional systems, or biocompatible products in thenext generation of biobased materials. This work summarizes and presentsspecific strategies for developing chemical solutions for three-dimensional(3D)-printable resins derived exclusively from biobased compounds.The photocurable systems used in additive manufacturing require aprimary reactive resin precursor. Usually, rheological modificationsthat regulate the flow characteristics of the polymerizable main systemrequire the use of reactive diluents, which are low-molecular-weight,low-viscosity, and polymerizable. Such systems often exhibit excessivevolatility, resulting in environmental issues such as increased VOCsor hazardous chemical character. This overview presents and describesthe main reactive resin precursors, based on bioderived polyestersand terpene-based systems, along with fully biobased reactive diluentssynthesized from biotechnological products (itaconic acid) and othersources (biophenols). Lastly, the partly and fully biobased photoinitiators,produced from sources, such as riboflavin, coumarin, or curcumin,are introduced as an alternative to the highly hazardous and toxiccommercial photoinitiators, such as BAPO and TPO, which pose serioushealth hazards. Fully biobased precursors stand in this perspectiveas substances obtainable from alternative feedstocks to petroleum-basedones (e.g., biotechnological production, extraction from biomass,and reformulation of complex substances). This work reviews the reportedoptions and experimental findings and suggests the most promisingpathways to environmentally friendly vat photopolymerization resins.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 10","pages":"1447–1466"},"PeriodicalIF":7.7,"publicationDate":"2026-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282027","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Single-Atom Nickel Dispersed on Mo2TiC2Tx MXene for Upcycling of Polyolefins via Catalytic Hydropyrolysis for Fuels and Lubricants Mo2TiC2Tx MXene上分散的单原子镍用于燃料和润滑油催化加氢热解聚烯烃的升级回收

IF 7.7

Precision Chemistry Pub Date : 2026-10-26 Epub Date: 2026-05-01 DOI: 10.1021/prechem.5c00465

Jonathan Tjioe, Wei-Ling Huang, Harish Radhakrishnan, Ruoyu Cui, Yuting Li, Alex Gatiba, Tao Ma, Dapeng Jing, Long Qi, Jeffrey T. Miller, Xianglan Bai, Yue Wu

{"title":"Single-Atom Nickel Dispersed on Mo2TiC2Tx MXene for Upcycling of Polyolefins via Catalytic Hydropyrolysis for Fuels and Lubricants","authors":"Jonathan Tjioe, Wei-Ling Huang, Harish Radhakrishnan, Ruoyu Cui, Yuting Li, Alex Gatiba, Tao Ma, Dapeng Jing, Long Qi, Jeffrey T. Miller, Xianglan Bai, Yue Wu","doi":"10.1021/prechem.5c00465","DOIUrl":"https://doi.org/10.1021/prechem.5c00465","url":null,"abstract":"Plastic waste has been a major social and environmentalproblem.Chemical upcycling of plastic waste into transportation fuels or lubricantoil has emerged as an attractive and promising approach to convertplastic waste into valuable products. However, conventional catalystsystems often require high-pressure hydrogen, prolonged residencetime, and the use of noble metal catalysts. Here, we present zero-valentnickel single atoms on Mo-based MXenes (Ni/Mo2TiC2Tx) for effective hydrogenation of polyolefins.In situ spectroscopic and microscopic characterizations demonstratethe formation of Ni–Mo and Ni–C bonds at a low Ni loading,resulting in the formation of dispersed intercalated Ni atoms. Thecatalysts were then employed to convert polyethylene into fuels andlubricant molecules under atmospheric hydrogen pressure, short vaporresidence time (τ < 1 s), and mild reaction temperature (300°C). We further demonstrated the possibility of tuning the Nistructure by changing the Ni loading, attributed to the strong metal–supportinteractions (MSIs) with the Mo2TiC2Tx support. Under optimized conditions, 22.5 C% gasoline,12.0 C% diesel, 19.2 C% jet fuel (JP-8), and 37.4 C% lubricant wereproduced over 0.5% Ni/Mo2TiC2Tx. This work highlights the potential of utilizing MSIs of Mo2TiC2Tx MXenes to synthesizesingle-atom catalysts (SACs) for upcycling plastic waste into higher-valueproducts.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 10","pages":"1645–1659"},"PeriodicalIF":7.7,"publicationDate":"2026-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282082","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Two-Dimensional MXene-Reinforced Polymer Nanocomposites: Synthesis, Multifaceted-Properties, Applications, and Perspectives 二维mxene增强聚合物纳米复合材料：合成、多方面性能、应用和前景

IF 7.7

Precision Chemistry Pub Date : 2026-10-26 Epub Date: 2026-09-16 DOI: 10.1021/prechem.5c00371

Ravi Kumar Yohan, Naga Sravanthi Medakayala, Anantha Padmanabha, Praveen Barmavatu, Mohanraj Jagannathan, Moon Il Kim, Venkata Madhuri K

{"title":"Two-Dimensional MXene-Reinforced Polymer Nanocomposites: Synthesis, Multifaceted-Properties, Applications, and Perspectives","authors":"Ravi Kumar Yohan, Naga Sravanthi Medakayala, Anantha Padmanabha, Praveen Barmavatu, Mohanraj Jagannathan, Moon Il Kim, Venkata Madhuri K","doi":"10.1021/prechem.5c00371","DOIUrl":"https://doi.org/10.1021/prechem.5c00371","url":null,"abstract":"MXenes, an emerging class of two-dimensional (2D) transitionmetalcarbonitrides, nitrides, and carbides, are gaining significant attentiondue to their unique layered structures and versatile surface chemistries.These characteristics provide them with exceptional properties, makingthem promising for a wide array of applications. Research indicatesthat combining MXenes with polymers can further enhance their functionalcapabilities. This comprehensive overview primarily focuses on MXene-basedpolymer nanocomposites (PNCs), which are crucial in various researchendeavors. The integration of MXene’s properties with the insulating,soft, chain-like conformations of polymers leads to the advancementof materials with synergistic properties better than those of individualcomponents. In addition, this study highlights the fabrication techniquesfor MXene-based PNCs, such as in situ polymerization, melt blending,and solution casting, emphasizing their effective integration. Besides,it discusses recent advancements in these MXene-based PNCs, focusingon their structural, electrical, mechanical, and thermal properties,with particular attention to developing the multifunctionality essentialfor advanced electronic devices. Furthermore, the diverse applicationsof MXene-based PNCs, encompassing energy storage (including dielectriccapacitors, supercapacitors (SCs), and batteries), sensors (includingstrain, gas, and humidity sensors), and flame retardants, have beendemonstrated. Ultimately, this paper summarizes the key challengesand future perspectives in the fields of energy storage and sensors.It offers valuable insights to guide future research, aiming to enhancethe performance and functionality of MXene-based PNCs for the developmentof next-generation smart and sustainable technologies.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 10","pages":"1467–1510"},"PeriodicalIF":7.7,"publicationDate":"2026-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282105","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Should I Stay or Should I Go? Applying a Combined Experimental and Theoretical Approach to Predict the Excited-State Intramolecular Proton Transfer (ESIPT) in Imidazo[1,5-a]pyridine-3-yl Phenols 我该走还是该留？应用实验和理论相结合的方法预测咪唑[1,5-a]吡啶-3-基苯酚分子内激发态质子转移（ESIPT）

IF 7.7

Precision Chemistry Pub Date : 2026-10-26 Epub Date: 2026-05-06 DOI: 10.1021/prechem.6c00034

Anita Cinco, Gioele Colombo, Stefano Brenna, Chiara Vola, Bruno Therrien, G. Attilio Ardizzoia

{"title":"Should I Stay or Should I Go? Applying a Combined Experimental and Theoretical Approach to Predict the Excited-State Intramolecular Proton Transfer (ESIPT) in Imidazo[1,5-a]pyridine-3-yl Phenols","authors":"Anita Cinco, Gioele Colombo, Stefano Brenna, Chiara Vola, Bruno Therrien, G. Attilio Ardizzoia","doi":"10.1021/prechem.6c00034","DOIUrl":"https://doi.org/10.1021/prechem.6c00034","url":null,"abstract":"The fluorescent behavior of a seriesof imidazo[1,5-a]pyridine-3-yl phenols was investigatedboth experimentally(in solution,the solid state, and thin films) and theoretically. Among these compounds,only a subset exhibited excited-state intramolecular proton transfer(ESIPT) emission, identified as a thermodynamically driven process.To understand this behavior, a comprehensive theoretical study wascarried out to elucidate the nature of the electronic transitionsand to identify the molecular factors governing the occurrence ofESIPT, revealing that fine-tuning the electron-donating and─withdrawingproperties is needed for the proton transfer to take place. A structure–propertyrelationship approach was employed, resulting in the development ofa numerical descriptor (Ω), dependent on the substituents onthe core architecture, capable of predicting whether, upon excitation,the proton “stays” on the oxygen atom or “goes”to the nitrogen atom via the ESIPT mechanism. The same approach alsoproved to be effective in predicting the frontier orbital energiesof the studied systems.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 10","pages":"1660–1677"},"PeriodicalIF":7.7,"publicationDate":"2026-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282112","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Reticular Synthesis of Ultrastable Dynamic Zinc-Pyrazolate Frameworks for Efficient CO2 Photoreduction 超稳定动态吡甲酸锌骨架的网状合成及其高效光还原CO2的研究

IF 7.7

Precision Chemistry Pub Date : 2026-10-26 Epub Date: 2026-06-10 DOI: 10.1021/prechem.6c00007

Guojuan Zhi, Mengyang Zhai, Dayang Cheng, Mohammad Wahiduzzaman, Guillaume Maurin, Guozan Yuan, Zhijie Chen

引用次数: 0

Engineered Metal–Organic Frameworks for Sonodynamic Therapy: from Coordination Chemistry to Acoustic-ROS Transduction 声动力治疗的工程金属有机框架：从配位化学到声学ros转导

IF 7.7

Precision Chemistry Pub Date : 2026-10-26 Epub Date: 2026-10-13 DOI: 10.1021/prechem.6c00075

Jiawei Kang, Chenyang Bi, Qianwang Chen, Dongdong Wang

{"title":"Engineered Metal–Organic Frameworks for Sonodynamic Therapy: from Coordination Chemistry to Acoustic-ROS Transduction","authors":"Jiawei Kang, Chenyang Bi, Qianwang Chen, Dongdong Wang","doi":"10.1021/prechem.6c00075","DOIUrl":"https://doi.org/10.1021/prechem.6c00075","url":null,"abstract":"Sonodynamic therapy (SDT) has emergedas a noninvasive therapeuticstrategy for deep-seated tumors. However, its clinical translationremains substantially limited by the inherently low energy densityand transient nature of ultrasound, which lead to insufficient andunsustained reactive oxygen species (ROS) generation within the therapy-resistanttumor microenvironment (TME). In this review, we introduce the conceptof MOFs as precision sonoreactors, wherein hierarchical coordinativearchitectures orchestrate acoustic energy capture, charge transduction,and catalytic ROS evolution within a single materials platform. Withinthis framework, the SDT process is deconstructed into a sequence ofprogrammable energy conversion events, including cavitation-mediatedenergy focusing, acoustoelectric charge separation via photonic orelectromechanical pathways, and subsequent catalytic transformationinto lineage-specific ROS. By elucidating the underlying physicochemicalmechanisms, we systematically reveal how the structural versatilityof MOFs governs ROS generation and modulation. Beyond primary ultrasoundactivation, we further highlight the ability of MOFs to overcome TME-associatedbarriers, reprogram the local microenvironment, and enable synergisticinteractions with complementary therapeutic modalities. By shiftingthe paradigm from empirical optimization to mechanism-driven design,this review establishes a unified theoretical framework and delineatesfundamental principles for the development of next-generation sonodynamicplatforms.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 10","pages":"1566–1593"},"PeriodicalIF":7.7,"publicationDate":"2026-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282182","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electrochemistry of Urea Synthesis via Carbon Dioxide Reduction: Mechanisms and Material Insights 通过二氧化碳还原尿素合成的电化学：机制和材料的见解

IF 7.7

Precision Chemistry Pub Date : 2026-10-26 Epub Date: 2026-08-17 DOI: 10.1021/prechem.6c00062

Sagar Ingavale, Phiralang Marbaniang, Panyawee Bunyanidhi, Chanon Pornrungroj, Pawin Iamprasertkun

{"title":"Electrochemistry of Urea Synthesis via Carbon Dioxide Reduction: Mechanisms and Material Insights","authors":"Sagar Ingavale, Phiralang Marbaniang, Panyawee Bunyanidhi, Chanon Pornrungroj, Pawin Iamprasertkun","doi":"10.1021/prechem.6c00062","DOIUrl":"https://doi.org/10.1021/prechem.6c00062","url":null,"abstract":"Electrocatalytic urea synthesis offers a sustainable,carbon- andenergy-efficient alternative to the Haber-Bosch process under ambientconditions. It is a sustainable strategy in which simultaneous reductionof carbon dioxide (CO2) and nitrogen molecules (nitrogen,nitrate, nitrite, nitric oxide, etc.) lead to form urea. However,electrochemical urea synthesis faces multiple challenges includingactivation of CO2 and nitrogen molecules (nitrogen, nitrate,nitrite, nitric oxide, etc.), low production and selectivity towardurea production. The C–N coupling reaction is considered themost challenging part for urea synthesis. With respect to all this,this review focuses on fundamental reaction mechanisms followed byrecent progress for electrochemical urea production. Recent advanceshighlight the rational design of heterogeneous catalysts─rangingfrom transition-metal-based systems (Cu, Ni, Fe, Co) to single-atomcatalysts─that enable simultaneous activation of CO2 and nitrogen molecules. This review summarizes proposed reactionpathways by correlating catalyst active centers with mechanistic insightsinto CO2/N-containing species activation and coupling.The critical challenges related to low yield and Faradaic efficiencyare outlined, providing perspectives for translating laboratory breakthroughsinto practical urea electrosynthesis technologies. Collectively, theseadvances establish electrocatalytic urea synthesis as a frontier insustainable chemistry, bridging carbon capture with nitrogen cyclemanagement, and paving the way toward scalable green urea production.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 10","pages":"1533–1565"},"PeriodicalIF":7.7,"publicationDate":"2026-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Investigating Topological Parameters in Polymers: Precision Synthesis of Trefoil Polymers from a Knotted Synthon 研究聚合物的拓扑参数：用结型合成子精确合成三叶草聚合物

IF 7.7

Precision Chemistry Pub Date : 2026-10-26 Epub Date: 2026-10-08 DOI: 10.1021/prechem.6c00130

Jiameng Deng, Xin Jiang, Yunyan Qiu

引用次数: 0