Green Chemistry最新文献

{"title":"From data to catalysis: advances and prospects of machine learning-driven electrocatalytic CO2 reduction","authors":"He Xixue ,&nbsp;Ma Ruoxin ,&nbsp;Zhang Zekun ,&nbsp;Zhang Luping ,&nbsp;Li Jiqun ,&nbsp;Yan Wei ,&nbsp;Xu Hao","doi":"10.1039/d6gc01575a","DOIUrl":"10.1039/d6gc01575a","url":null,"abstract":"<div><div>As global decarbonization imperatives intensify, the electrocatalytic CO₂ reduction reaction (CO₂RR) has emerged as a key area of research in sustainable energy research. Conventional experimental methods are constrained by factors such as prolonged catalyst screening cycles and unclear reaction mechanisms. Machine learning (ML), a data-driven modeling approach, has revolutionized catalyst development by significantly accelerating discovery and reducing associated costs. This review is structured as follows: It initially outlines the ML-assisted design workflow specifically for electrocatalytic CO₂RR. Subsequently, it reviews the current progress of ML applications in CO₂RR, with a particular emphasis on catalyst design and screening, optimization of reaction conditions, and mechanistic understanding. Finally, the article discusses the challenges and future perspectives of employing ML in this field, thereby aiming to provide useful insights for ongoing and future research efforts.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"28 24","pages":"Pages 9940-9958"},"PeriodicalIF":10.6,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148285367","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Machine learning boosted design of ionic liquid-based deep eutectic solvents for CO2 capture","authors":"Ruina Zhang ,&nbsp;Guokai Cui ,&nbsp;Guoxiong Zhan ,&nbsp;Mengyi Ma ,&nbsp;Xiaochun Zhang ,&nbsp;Xiangping Zhang ,&nbsp;Hanfeng Lu","doi":"10.1039/d6gc00083e","DOIUrl":"10.1039/d6gc00083e","url":null,"abstract":"<div><div>The escalating atmospheric CO₂ concentration demands sustainable and scalable carbon capture technologies. Deep eutectic solvents (DESs), especially those based on ionic liquids (ILs), offer a green and tunable alternative to conventional absorbents. However, their virtually infinite chemical space makes exhaustive experimental screening impossible. Artificial intelligence (AI) has emerged as a promising tool to bypass trial-and-error approaches by enabling high-throughput virtual screening and the discovery of structure–property relationships. This review provides a systematic analysis of recent advances from 2020 to 2025 in machine learning (ML) driven design of DESs for CO₂ capture. A comprehensive database of CO₂ absorption data for DESs reported during 2008–2025 is compiled, covering a wide range of chemical compositions and operating conditions. Feature engineering strategies are surveyed, ranging from basic molecular descriptors to advanced quantum chemical and COSMO-RS derived features. A multi-dimensional evaluation framework is introduced that assesses model performance not only in terms of predictive accuracy but also in terms of generalization capability and interpretability. The evolution of ML models from linear and kernel methods to ensemble trees and neural networks is critically discussed, with ensemble tree models (<em>e.g.</em>, CatBoost and XGBoost) highlighted as the dominant approaches due to their generally high predictive accuracy and interpretability. Finally, key challenges such as data sparsity, model extrapolation, and integration with process simulation are identified, and future directions are proposed, including active learning platforms, physics-informed models, and generative design across scales. This review offers a systematic technical reference and a methodology to guide the intelligent design of next-generation absorbents for CO₂ capture.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"28 24","pages":"Pages 9959-9975"},"PeriodicalIF":10.6,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148285395","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Reclaiming carbon fibres: a green catalytic route for low-temperature CFRP recycling","authors":"Yunzi Xin ,&nbsp;Mai Goto ,&nbsp;Takashi Shirai","doi":"10.1039/d5gc06006k","DOIUrl":"10.1039/d5gc06006k","url":null,"abstract":"<div><div>A novel low-temperature and solid-state catalytic method using hydroxyapatite (HAp) and Pt nanoparticle-loaded HAp enables efficient recycling of carbon fibres from CFRP. The two-stage process decomposes the polymer matrix selectively, preserving fibre integrity. PtNPs@HAp shows superior catalytic activity, offering a sustainable and environmentally friendly route for high-quality CF recovery from CFRP waste.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"28 24","pages":"Pages 9976-9982"},"PeriodicalIF":10.6,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148285396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An enzyme cascade for green synthesis of chrysanthemol and chrysanthemic acid: key precursors for pyrethrins and pyrethroids","authors":"Zhanyue Liao ,&nbsp;Chuncen Chen ,&nbsp;Junyi Lu ,&nbsp;Donghua Du ,&nbsp;Huailong Teng ,&nbsp;Yi Zhou ,&nbsp;Shuke Wu","doi":"10.1039/d6gc01398h","DOIUrl":"10.1039/d6gc01398h","url":null,"abstract":"<div><div>Chrysanthemic acid is a critical chiral building block for both natural pyrethrins and synthetic pyrethroids. However, its supply is constrained by the limitations of plant extraction and the low atom economy of chemical synthesis. In this study, we engineered an artificial enzymatic cascade—both <em>in vitro</em> and in <em>Escherichia coli</em>—for the biosynthesis of chrysanthemol and chrysanthemic acid <em>via</em> the isopentenol utilization pathway (IUP). We first identified a highly efficient isopentenyl kinase, <em>Sma</em>ThiM, which effectively debottlenecked the upstream pathway and enabled the <em>in vitro</em> production of chrysanthemol from the readily available substrate prenol. Through systematic optimization of gene organization, fusion protein design, and the implementation of a biphasic system, we developed a whole-cell biocatalyst capable of producing chrysanthemol at a titer of 510 mg L⁻¹. To extend this approach to chrysanthemic acid production, two plant-derived enzymes were integrated into the cascade, and the resulting optimized whole-cell biocatalyst achieved a titer of 203 mg L⁻¹ of (1<em>R</em>,3<em>R</em>)-chrysanthemic acid. These titers represent the highest microbial production levels reported to date for both compounds, demonstrating a promising, green, and high-efficiency biotechnological route for the manufacture of essential pesticide precursors.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"28 24","pages":"Pages 9983-9995"},"PeriodicalIF":10.6,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148285397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A three-functional zwitterionic arginine electrolyte additive for modified zinc anodes","authors":"Yu-Hang Liu ,&nbsp;Li Lin ,&nbsp;Dong-Lai Han ,&nbsp;Jing Zhao ,&nbsp;Yu Zhang ,&nbsp;Zhen-Yu Hu ,&nbsp;Yuan Meng ,&nbsp;Wan-Qiang Liu ,&nbsp;Gang Huang","doi":"10.1039/d6gc02334g","DOIUrl":"10.1039/d6gc02334g","url":null,"abstract":"<div><div>The uncontrolled formation of zinc dendrites and concomitant parasitic reactions at the interface critically undermine the reversibility and operational stability of aqueous zinc electrodes. In this study, a zwitterionic compound, C₆H₁₄N₄O₂, was introduced as an electrolyte additive designed to simultaneously modulate the solvation sheath of Zn²⁺ ions, engineer the electrode/electrolyte interfacial double-layer structure, and facilitate the <em>in situ</em> formation of a robust, ion-conductive solid electrolyte interphase (SEI) layer on the zinc anode. Consequently, the additive effectively suppresses zinc dendrite growth and mitigates parasitic hydrogen evolution. C₆H₁₄N₄O₂ preferentially adsorbs onto the active sites associated with zinc corrosion and hydrogen evolution, thereby effectively inhibiting these side reactions. Furthermore, the adsorbed C₆H₁₄N₄O₂ redistributes the Zn²⁺ ion flux, facilitates the desolvation of [Zn(H₂O)₆]²⁺, and promotes uniform zinc deposition at low overpotentials. Consequently, long-term cycling stability with minimal voltage hysteresis (&gt;2900 h at 1 mA cm⁻² and 1 mAh cm⁻²) was achieved in Zn∥Zn symmetric cells. When paired with a polyaniline (PANI) cathode, the assembled PANI∥Zn battery with the addition of C₆H₁₄N₄O₂ exhibited a capacity of 142.83 mAh g⁻¹ after 1500 cycles, achieving a capacity retention rate of 85.9%. In contrast, the Zn∥PANI full cell using the pure ZnSO₄ electrolyte demonstrated a capacity of 95.14 mAh g⁻¹ and a capacity retention rate of 77.9%. These results highlight the environmental friendliness of C₆H₁₄N₄O₂ as an ideal electrolyte additive in aqueous zinc-ion batteries.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"28 24","pages":"Pages 10201-10212"},"PeriodicalIF":10.6,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148285322","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Interfacial ozone chemistry enables aromatic oxidation in microdroplets","authors":"Lian Xue ,&nbsp;Boyu Zhu ,&nbsp;Peng Zheng ,&nbsp;Xinyao Li ,&nbsp;Kaiyu Geng ,&nbsp;Jiao Geng ,&nbsp;Xingbang Hu","doi":"10.1039/d6gc00973e","DOIUrl":"10.1039/d6gc00973e","url":null,"abstract":"<div><div>Developing safer and more sustainable oxidation strategies for aromatic hydrocarbons remains a key challenge in green chemistry due to the reliance on hazardous oxidants and metal catalysts. Here, we demonstrate that ozone (O₃) can be generated <em>in situ</em> at aqueous microdroplet air–water interfaces and directly utilized for the selective oxidation of naphthalene (NA) under mild, catalyst-free conditions. In an ultrasonic microdroplet system, NA is converted into dimethyl phthalate (DMP) with an isolable yield of 11.6%. Ozone formation and reaction occur concurrently within the confined droplet environment, eliminating the need for external ozone generation. Experimental and theoretical studies support an interfacial O₃-mediated pathway initiated by transient discharge events. These results demonstrate the potential of microdroplet interfaces as a platform for inherently safer ozone-mediated oxidation.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"28 24","pages":"Pages 10050-10056"},"PeriodicalIF":10.6,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148285313","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Eco-efficient fractionation of bamboo using a pyruvic acid-based deep eutectic solvent: a waste-minimized strategy for comprehensive valorization","authors":"Fan Zhang ,&nbsp;Jianbo Huang ,&nbsp;Zeqi Wu ,&nbsp;Zhenhua Su ,&nbsp;Jun Xie ,&nbsp;Chuanfu Liu ,&nbsp;Wu Lan","doi":"10.1039/d6gc00388e","DOIUrl":"10.1039/d6gc00388e","url":null,"abstract":"<div><div>Achieving comprehensive biomass valorization with minimal environmental impact is a critical challenge in advancing sustainable biorefineries. This study establishes a waste-minimized strategy for bamboo fractionation using a novel deep eutectic solvent (choline chloride/pyruvic acid), designed to enhance pyrolytic saccharification efficiency, lignin valorization, and direct spent-filtrate upcycling. Under mild conditions (100 °C, 1 h), this eco-efficient pretreatment facilitated selective delignification (98%) while retaining 92% of cellulose. The fractionated residue was converted to levoglucosan (36% yield) <em>via</em> fast pyrolysis, and the extracted reactive lignin was successfully applied in UV-protective sunscreens and aromatic chemical production. Notably, the xylose-enriched spent DES filtrate was directly incorporated into polyvinyl alcohol (PVA) as a proof-of-concept additive to prepare composite films, thereby avoiding direct discharge or energy-intensive purification of this organic-rich stream. While these films exhibited enhanced mechanical and UV-shielding properties, their water sensitivity makes the current formulation most suitable for dry applications. Overall, this work presents a waste-minimized bamboo biorefinery strategy that integrates biomass fractionation, component valorization, and spent-liquor upcycling within a cleaner-production framework.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"28 24","pages":"Pages 10213-10226"},"PeriodicalIF":10.6,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148285323","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Visible light-mediated organocatalyzed 1,2-sulfonylation/acylation cascade of allenes for stereodefined tetrasubstituted alkenes","authors":"Jiuli Xia ,&nbsp;Kehan Jiao ,&nbsp;Yunliang Guo ,&nbsp;Dongyu Yao ,&nbsp;Lihan Zhu ,&nbsp;Guangfan Zheng ,&nbsp;Jiaqiong Sun ,&nbsp;Tao Xiong ,&nbsp;Qian Zhang","doi":"10.1039/d6gc02060g","DOIUrl":"10.1039/d6gc02060g","url":null,"abstract":"<div><div>Stereodefined tetrasubstituted alkenes are privileged structural motifs widely found in pharmaceuticals, functional materials, and synthetic intermediates. However, the direct, modular, and stereocontrolled assembly of these skeletons from simple precursors remains a formidable challenge. Herein, we report a visible light-mediated N-heterocyclic carbene (NHC) and photoredox synergistic catalysis for the 1,2-sulfonylacylation of allenes, enabling efficient access to a diverse array of stereodefined fluorinated tetrasubstituted alkene derivatives. This transformation proceeds under mild conditions with broad substrate scope, excellent functional group tolerance, and high regio- and <em>E</em>/<em>Z</em> selectivity (up to &gt;19 : 1). Mechanistic studies reveal a radical pathway involving regiospecific addition of an <em>in situ</em> generated monofluoromethylsulfonyl radical (CH₂FSO₂˙) to the allene, forming an allylic radical intermediate, which subsequently undergoes stereoselective radical-radical coupling with an NHC-stabilized ketyl radical. The <em>E</em>/<em>Z</em> selectivity is governed by the Curtin–Hammett principle, as supported by density functional theory (DFT) calculations. Gram-scale synthesis and diverse downstream transformations demonstrate the practical utility of this method. This work provides a new strategy for the synthesis of stereodefined tetrasubstituted alkenes and expands the frontiers of NHC/photoredox cooperative catalysis in radical cascade reactions.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"28 24","pages":"Pages 10006-10016"},"PeriodicalIF":10.6,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148285337","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Time-release catalysis for cascade hydrolytic hydrogenation of cellulose","authors":"Junyan Fu ,&nbsp;Shihan Zhang ,&nbsp;Bingjie Qiu ,&nbsp;Richard Lee Smith ,&nbsp;Xinhua Qi","doi":"10.1039/d6gc02110g","DOIUrl":"10.1039/d6gc02110g","url":null,"abstract":"<div><div>Valorization of cellulosic biomass into chemicals and fuels <em>via</em> a multi-step reaction is necessary for achieving a sustainable industry. However, the one-pot direct transformation of cellulose into value-added chemicals like sorbitol <em>via</em> a glucose intermediate through cascade pathways remains challenging due to the interplay between multiple catalytic sites and the kinetics of different reaction pathways. Herein, inspired by time-release mechanisms used in medicines and fertilizers, carbon-encapsulated nickel phosphide (NiP@C) catalysts exhibiting time-release properties were synthesized through sequential chemical precipitation, hydrothermal treatment and thermal reduction using nickel nitrate, fulvic acid and (NH₄)₂HPO₄ as precursors. The as-synthesized NiP@C served as a time-release catalyst for the one-pot hydrolytic hydrogenation of cellulose to sorbitol by providing a continuous and adequate supply of H⁺ for cellulose hydrolysis <em>via</em> a time-release mechanism, coupled with abundant Ni^<em>δ</em>+ sites for sequential hydrogenation, thus achieving a balanced hydrolysis and hydrogenation process that afforded a high sorbitol yield of 84.5% at 200 °C within 3 h. The NiP@C catalyst demonstrated good recyclability due to its anti-oxidation capacity in air. The time-release catalysis strategy proposed in this work should have broad applications in one-pot cascade reaction schemes requiring balanced multiple catalytic sites for converting renewable resources.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"28 24","pages":"Pages 10027-10038"},"PeriodicalIF":10.6,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148285339","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A recyclable porphyrin photocatalyst for highly efficient visible-light-driven aerobic oxidation of sulfides","authors":"Congjia Xie ,&nbsp;Heng Tang ,&nbsp;Maolin Yang ,&nbsp;Tianzhen Xie ,&nbsp;Long Shi ,&nbsp;Xiao Peng ,&nbsp;Zhongxia Zhao ,&nbsp;Wenyun Tan","doi":"10.1039/d6gc01903j","DOIUrl":"10.1039/d6gc01903j","url":null,"abstract":"<div><div>Herein, we report a highly efficient, environmentally benign, and sustainable photocatalytic system for aerobic sulfide oxidation, employing a porphyrin-based catalyst in green solvents under visible light irradiation at room temperature. Synergistically modulating the photostability, solubility, and photoactivity of porphyrins by tailoring their peripheral substituents enabled both high catalytic efficiency and facile recovery. Notably, porphyrins bearing carboxyl groups (tetrakis(4-carboxyphenyl) porphyrin, TCPP) exhibited superior catalytic activity and recyclability, and could be easily reused for at least eight cycles with consistent performance. This method delivers sulfoxides with excellent selectivity (&gt;99%) and high isolated yields (86–99%) within exceptionally short reaction times (15–40 min) and a low catalyst loading (0.1–1.0 mol%). In addition, the protocol exhibits a broad substrate scope across various sulfide skeletons (30 examples), encompassing alkyl aryl sulfides bearing strong electron-withdrawing groups (–CN, –NO₂) as well as notoriously oxidation-resistant diaryl sulfides, and can be successfully scaled up to the gram scale within 40 min. Mechanistic studies reveal that the oxidation proceeds mainly <em>via</em> an energy transfer pathway, with singlet oxygen identified as the reactive oxygen species. This work opens a new avenue for developing practical visible-light-initiated oxidations and serves as an inspiration for the design of recyclable organic photocatalysts.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"28 24","pages":"Pages 10157-10167"},"PeriodicalIF":10.6,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148285359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}