Pub Date : 2024-04-26DOI: 10.1038/s41570-024-00597-z
Xinliang Li, Wenyu Xu, Chunyi Zhi
Halogen-powered static conversion batteries (HSCBs) thrive in energy storage applications. They fall into the category of secondary non-flow batteries and operate by reversibly changing the chemical valence of halogens in the electrodes or/and electrolytes to transfer electrons, distinguishing them from the classic rocking-chair batteries. The active halide chemicals developed for these purposes include organic halides, halide salts, halogenated inorganics, organic–inorganic halides and the most widely studied elemental halogens. Aside from this, various redox mechanisms have been discovered based on multi-electron transfer and effective reaction pathways, contributing to improved electrochemical performances and stabilities of HSCBs. In this Review, we discuss the status of HSCBs and their electrochemical mechanism–performance correlations. We first provide a detailed exposition of the fundamental redox mechanisms, thermodynamics, conversion and catalysis chemistry, and mass or electron transfer modes involved in HSCBs. We conclude with a perspective on the challenges faced by the community and opportunities towards practical applications of high-energy halogen cathodes in energy-storage devices. Substantial progress in halide chemicals and redox mechanisms has spawned a boom in halogen-powered static conversion batteries. This Review tracks the natural benefits and intricate redox behaviour of halogen conversion chemistry, highlighting its pivotal role in electrochemical energy storage.
{"title":"Halogen-powered static conversion chemistry","authors":"Xinliang Li, Wenyu Xu, Chunyi Zhi","doi":"10.1038/s41570-024-00597-z","DOIUrl":"10.1038/s41570-024-00597-z","url":null,"abstract":"Halogen-powered static conversion batteries (HSCBs) thrive in energy storage applications. They fall into the category of secondary non-flow batteries and operate by reversibly changing the chemical valence of halogens in the electrodes or/and electrolytes to transfer electrons, distinguishing them from the classic rocking-chair batteries. The active halide chemicals developed for these purposes include organic halides, halide salts, halogenated inorganics, organic–inorganic halides and the most widely studied elemental halogens. Aside from this, various redox mechanisms have been discovered based on multi-electron transfer and effective reaction pathways, contributing to improved electrochemical performances and stabilities of HSCBs. In this Review, we discuss the status of HSCBs and their electrochemical mechanism–performance correlations. We first provide a detailed exposition of the fundamental redox mechanisms, thermodynamics, conversion and catalysis chemistry, and mass or electron transfer modes involved in HSCBs. We conclude with a perspective on the challenges faced by the community and opportunities towards practical applications of high-energy halogen cathodes in energy-storage devices. Substantial progress in halide chemicals and redox mechanisms has spawned a boom in halogen-powered static conversion batteries. This Review tracks the natural benefits and intricate redox behaviour of halogen conversion chemistry, highlighting its pivotal role in electrochemical energy storage.","PeriodicalId":18849,"journal":{"name":"Nature reviews. Chemistry","volume":"8 5","pages":"359-375"},"PeriodicalIF":36.3,"publicationDate":"2024-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140651676","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}
Pub Date : 2024-04-22DOI: 10.1038/s41570-024-00601-6
Alex Rigby, Trevor Arino
Radiopharmaceuticals are becoming an essential tool in the fight against cancer, and the field has been diversified with the investigation of f-block elements over the past decade. Here we discuss the highlights in 2023 research leading the charge in utilizing f-block elements in innovative ways, changing how we treat these diseases.
{"title":"Harnessing the power of f-block elements in radiopharmaceuticals","authors":"Alex Rigby, Trevor Arino","doi":"10.1038/s41570-024-00601-6","DOIUrl":"10.1038/s41570-024-00601-6","url":null,"abstract":"Radiopharmaceuticals are becoming an essential tool in the fight against cancer, and the field has been diversified with the investigation of f-block elements over the past decade. Here we discuss the highlights in 2023 research leading the charge in utilizing f-block elements in innovative ways, changing how we treat these diseases.","PeriodicalId":18849,"journal":{"name":"Nature reviews. Chemistry","volume":"8 5","pages":"302-303"},"PeriodicalIF":36.3,"publicationDate":"2024-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140637599","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}
Pub Date : 2024-04-19DOI: 10.1038/s41570-024-00595-1
Mingyu Kang, Hanggai Nuomin, Sutirtha N. Chowdhury, Jonathon L. Yuly, Ke Sun, Jacob Whitlow, Jesús Valdiviezo, Zhendian Zhang, Peng Zhang, David N. Beratan, Kenneth R. Brown
Simulating the quantum dynamics of molecules in the condensed phase represents a longstanding challenge in chemistry. Trapped-ion quantum systems may serve as a platform for the analog-quantum simulation of chemical dynamics that is beyond the reach of current classical-digital simulation. To identify a ‘quantum advantage’ for these simulations, performance analysis of both analog-quantum simulation on noisy hardware and classical-digital algorithms is needed. In this Review, we make a comparison between a noisy analog trapped-ion simulator and a few choice classical-digital methods on simulating the dynamics of a model molecular Hamiltonian with linear vibronic coupling. We describe several simple Hamiltonians that are commonly used to model molecular systems, which can be simulated with existing or emerging trapped-ion hardware. These Hamiltonians may serve as stepping stones towards the use of trapped-ion simulators for systems beyond the reach of classical-digital methods. Finally, we identify dynamical regimes in which classical-digital simulations seem to have the weakest performance with respect to analog-quantum simulations. These regimes may provide the lowest hanging fruit to make the most of potential quantum advantages. Analog-quantum simulations derived from tracking the evolution of trapped-ion systems hold the potential to simulate molecular quantum dynamics that are beyond the reach of classical-digital strategies. This Review explores the prospects for developing this quantum advantage.
{"title":"Seeking a quantum advantage with trapped-ion quantum simulations of condensed-phase chemical dynamics","authors":"Mingyu Kang, Hanggai Nuomin, Sutirtha N. Chowdhury, Jonathon L. Yuly, Ke Sun, Jacob Whitlow, Jesús Valdiviezo, Zhendian Zhang, Peng Zhang, David N. Beratan, Kenneth R. Brown","doi":"10.1038/s41570-024-00595-1","DOIUrl":"10.1038/s41570-024-00595-1","url":null,"abstract":"Simulating the quantum dynamics of molecules in the condensed phase represents a longstanding challenge in chemistry. Trapped-ion quantum systems may serve as a platform for the analog-quantum simulation of chemical dynamics that is beyond the reach of current classical-digital simulation. To identify a ‘quantum advantage’ for these simulations, performance analysis of both analog-quantum simulation on noisy hardware and classical-digital algorithms is needed. In this Review, we make a comparison between a noisy analog trapped-ion simulator and a few choice classical-digital methods on simulating the dynamics of a model molecular Hamiltonian with linear vibronic coupling. We describe several simple Hamiltonians that are commonly used to model molecular systems, which can be simulated with existing or emerging trapped-ion hardware. These Hamiltonians may serve as stepping stones towards the use of trapped-ion simulators for systems beyond the reach of classical-digital methods. Finally, we identify dynamical regimes in which classical-digital simulations seem to have the weakest performance with respect to analog-quantum simulations. These regimes may provide the lowest hanging fruit to make the most of potential quantum advantages. Analog-quantum simulations derived from tracking the evolution of trapped-ion systems hold the potential to simulate molecular quantum dynamics that are beyond the reach of classical-digital strategies. This Review explores the prospects for developing this quantum advantage.","PeriodicalId":18849,"journal":{"name":"Nature reviews. Chemistry","volume":"8 5","pages":"340-358"},"PeriodicalIF":36.3,"publicationDate":"2024-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140621665","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}
Pub Date : 2024-04-15DOI: 10.1038/s41570-024-00593-3
Lu Tan, Steffen Hirte, Vincenzo Palmacci, Conrad Stork, Johannes Kirchmair
Biochemical and cell-based assays are essential to discovering and optimizing efficacious and safe drugs, agrochemicals and cosmetics. However, false assay readouts stemming from colloidal aggregation, chemical reactivity, chelation, light signal attenuation and emission, membrane disruption, and other interference mechanisms remain a considerable challenge in screening synthetic compounds and natural products. To address assay interference, a range of powerful experimental approaches are available and in silico methods are now gaining traction. This Review begins with an overview of the scope and limitations of experimental approaches for tackling assay interference. It then focuses on theoretical methods, discusses strategies for their integration with experimental approaches, and provides recommendations for best practices. The Review closes with a summary of the critical facts and an outlook on potential future developments. Biological assays are essential to pharmaceutical, agrochemical and cosmetics research. However, false readouts pose substantial challenges in screening small molecules. This Review explores the current methods for tackling assay interference, focusing on computational approaches and their integration with experimental methods.
{"title":"Tackling assay interference associated with small molecules","authors":"Lu Tan, Steffen Hirte, Vincenzo Palmacci, Conrad Stork, Johannes Kirchmair","doi":"10.1038/s41570-024-00593-3","DOIUrl":"10.1038/s41570-024-00593-3","url":null,"abstract":"Biochemical and cell-based assays are essential to discovering and optimizing efficacious and safe drugs, agrochemicals and cosmetics. However, false assay readouts stemming from colloidal aggregation, chemical reactivity, chelation, light signal attenuation and emission, membrane disruption, and other interference mechanisms remain a considerable challenge in screening synthetic compounds and natural products. To address assay interference, a range of powerful experimental approaches are available and in silico methods are now gaining traction. This Review begins with an overview of the scope and limitations of experimental approaches for tackling assay interference. It then focuses on theoretical methods, discusses strategies for their integration with experimental approaches, and provides recommendations for best practices. The Review closes with a summary of the critical facts and an outlook on potential future developments. Biological assays are essential to pharmaceutical, agrochemical and cosmetics research. However, false readouts pose substantial challenges in screening small molecules. This Review explores the current methods for tackling assay interference, focusing on computational approaches and their integration with experimental methods.","PeriodicalId":18849,"journal":{"name":"Nature reviews. Chemistry","volume":"8 5","pages":"319-339"},"PeriodicalIF":36.3,"publicationDate":"2024-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140553301","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}
Pub Date : 2024-04-11DOI: 10.1038/s41570-024-00599-x
Babak A. Mahjour, Connor W. Coley
Cutting-edge chemistry is often performed in non-atmospheric conditions. Continued development of the Chemputer platform now enables the utilization of sensitive compounds in automated synthetic protocols.
{"title":"Automation of air-free synthesis","authors":"Babak A. Mahjour, Connor W. Coley","doi":"10.1038/s41570-024-00599-x","DOIUrl":"10.1038/s41570-024-00599-x","url":null,"abstract":"Cutting-edge chemistry is often performed in non-atmospheric conditions. Continued development of the Chemputer platform now enables the utilization of sensitive compounds in automated synthetic protocols.","PeriodicalId":18849,"journal":{"name":"Nature reviews. Chemistry","volume":"8 5","pages":"300-301"},"PeriodicalIF":36.3,"publicationDate":"2024-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140547519","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}
Pub Date : 2024-04-10DOI: 10.1038/s41570-024-00596-0
S. Olivia Gunther, Bianca Schacherl
As researchers explore innovative ways to make nuclear fuels more accident-tolerant, this report investigates the use of manganese ions as dopants for uranium oxide (UO2) fuels.
{"title":"The quest for safer nuclear fuels","authors":"S. Olivia Gunther, Bianca Schacherl","doi":"10.1038/s41570-024-00596-0","DOIUrl":"10.1038/s41570-024-00596-0","url":null,"abstract":"As researchers explore innovative ways to make nuclear fuels more accident-tolerant, this report investigates the use of manganese ions as dopants for uranium oxide (UO2) fuels.","PeriodicalId":18849,"journal":{"name":"Nature reviews. Chemistry","volume":"8 5","pages":"297-297"},"PeriodicalIF":36.3,"publicationDate":"2024-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140544860","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}
Pub Date : 2024-04-04DOI: 10.1038/s41570-024-00591-5
Fa-Jie Chen, Wanzhen Lin, Fen-Er Chen
Stapling has emerged as a powerful technique in peptide chemistry. It enables precise control over peptide conformation leading to enhanced properties such as improved stability and enhanced binding affinity. Although symmetric stapling methods have been extensively explored, the field of non-symmetric stapling of native peptides has received less attention, largely as a result of the formidable challenges it poses — in particular the complexities involved in achieving the high chemo-selectivity and site-selectivity required to simultaneously modify distinct proteinogenic residues. Over the past 5 years, there have been significant breakthroughs in addressing these challenges. In this Review, we describe the latest strategies for non-symmetric stapling of native peptides, elucidating the protocols, reaction mechanisms and underlying design principles. We also discuss current challenges and opportunities this field offers for future applications, such as ligand discovery and peptide-based therapeutics. Peptide stapling is a powerful technique used to lock peptide conformations and modulate peptide functions. This Review highlights the newest development in non-symmetric stapling of native peptides bearing natural amino acids, elucidating current advances, challenges and future opportunities.
{"title":"Non-symmetric stapling of native peptides","authors":"Fa-Jie Chen, Wanzhen Lin, Fen-Er Chen","doi":"10.1038/s41570-024-00591-5","DOIUrl":"10.1038/s41570-024-00591-5","url":null,"abstract":"Stapling has emerged as a powerful technique in peptide chemistry. It enables precise control over peptide conformation leading to enhanced properties such as improved stability and enhanced binding affinity. Although symmetric stapling methods have been extensively explored, the field of non-symmetric stapling of native peptides has received less attention, largely as a result of the formidable challenges it poses — in particular the complexities involved in achieving the high chemo-selectivity and site-selectivity required to simultaneously modify distinct proteinogenic residues. Over the past 5 years, there have been significant breakthroughs in addressing these challenges. In this Review, we describe the latest strategies for non-symmetric stapling of native peptides, elucidating the protocols, reaction mechanisms and underlying design principles. We also discuss current challenges and opportunities this field offers for future applications, such as ligand discovery and peptide-based therapeutics. Peptide stapling is a powerful technique used to lock peptide conformations and modulate peptide functions. This Review highlights the newest development in non-symmetric stapling of native peptides bearing natural amino acids, elucidating current advances, challenges and future opportunities.","PeriodicalId":18849,"journal":{"name":"Nature reviews. Chemistry","volume":"8 5","pages":"304-318"},"PeriodicalIF":36.3,"publicationDate":"2024-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140349580","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}
Pub Date : 2024-04-04DOI: 10.1038/s41570-024-00598-y
Sugyeom Kim, George A. O’Doherty
A highly chemoselective method for the insertion of carbohydrates into existing oligosaccharides has been developed. The reaction sequence involves a selective Lewis-acid catalysed cleavage of one glycosidic bond followed by sequential construction of two new glycosidic bonds.
{"title":"Tailor-made glycans","authors":"Sugyeom Kim, George A. O’Doherty","doi":"10.1038/s41570-024-00598-y","DOIUrl":"10.1038/s41570-024-00598-y","url":null,"abstract":"A highly chemoselective method for the insertion of carbohydrates into existing oligosaccharides has been developed. The reaction sequence involves a selective Lewis-acid catalysed cleavage of one glycosidic bond followed by sequential construction of two new glycosidic bonds.","PeriodicalId":18849,"journal":{"name":"Nature reviews. Chemistry","volume":"8 5","pages":"298-299"},"PeriodicalIF":36.3,"publicationDate":"2024-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140349622","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}
Pub Date : 2024-03-28DOI: 10.1038/s41570-024-00600-7
Alexander Rosu-Finsen
Typically thought of as inert and non-participating atoms, noble gasses adsorbed onto freshly cleaved single crystal surfaces enhance their electronic band structures, potentially creating more active heterogeneous catalysts.
{"title":"Boosting band structure","authors":"Alexander Rosu-Finsen","doi":"10.1038/s41570-024-00600-7","DOIUrl":"10.1038/s41570-024-00600-7","url":null,"abstract":"Typically thought of as inert and non-participating atoms, noble gasses adsorbed onto freshly cleaved single crystal surfaces enhance their electronic band structures, potentially creating more active heterogeneous catalysts.","PeriodicalId":18849,"journal":{"name":"Nature reviews. Chemistry","volume":"8 4","pages":"234-234"},"PeriodicalIF":36.3,"publicationDate":"2024-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140310748","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}
Pub Date : 2024-03-25DOI: 10.1038/s41570-024-00589-z
Cuibo Liu, Fanpeng Chen, Bo-Hang Zhao, Yongmeng Wu, Bin Zhang
Fossil fuel-driven thermochemical hydrogenation and oxidation using high-pressure H2 and O2 are still popular but energy-intensive CO2-emitting processes. At present, developing renewable energy-powered electrochemical technologies, especially those using clean, safe and easy-to-handle reducing agents and oxidants for organic hydrogenation and oxidation reactions, is urgently needed. Water is an ideal carrier of hydrogen and oxygen. Electrochemistry provides a powerful route to drive water splitting under ambient conditions. Thus, electrochemical hydrogenation and oxidation transformations involving water as the hydrogen source and oxidant, respectively, have been developed to be mild and efficient tools to synthesize organic hydrogenated and oxidized products. In this Review, we highlight the advances in water-participating electrochemical hydrogenation and oxidation reactions of representative organic molecules. Typical electrode materials, performance metrics and key characterization techniques are firstly introduced. General electrocatalyst design principles and controlling the microenvironment for promoting hydrogenation and oxygenation reactions involving water are summarized. Furthermore, paired hydrogenation and oxidation reactions are briefly introduced before finally discussing the challenges and future opportunities of this research field. The use of water for electrochemical hydrogenation and oxidation of organic species provides a sustainable route for synthesizing chemicals. The electrode types, general electrocatalyst selection principles and interface microenvironment control are elucidated, conducive to designing efficient electrocatalysts and reaction systems.
{"title":"Electrochemical hydrogenation and oxidation of organic species involving water","authors":"Cuibo Liu, Fanpeng Chen, Bo-Hang Zhao, Yongmeng Wu, Bin Zhang","doi":"10.1038/s41570-024-00589-z","DOIUrl":"10.1038/s41570-024-00589-z","url":null,"abstract":"Fossil fuel-driven thermochemical hydrogenation and oxidation using high-pressure H2 and O2 are still popular but energy-intensive CO2-emitting processes. At present, developing renewable energy-powered electrochemical technologies, especially those using clean, safe and easy-to-handle reducing agents and oxidants for organic hydrogenation and oxidation reactions, is urgently needed. Water is an ideal carrier of hydrogen and oxygen. Electrochemistry provides a powerful route to drive water splitting under ambient conditions. Thus, electrochemical hydrogenation and oxidation transformations involving water as the hydrogen source and oxidant, respectively, have been developed to be mild and efficient tools to synthesize organic hydrogenated and oxidized products. In this Review, we highlight the advances in water-participating electrochemical hydrogenation and oxidation reactions of representative organic molecules. Typical electrode materials, performance metrics and key characterization techniques are firstly introduced. General electrocatalyst design principles and controlling the microenvironment for promoting hydrogenation and oxygenation reactions involving water are summarized. Furthermore, paired hydrogenation and oxidation reactions are briefly introduced before finally discussing the challenges and future opportunities of this research field. The use of water for electrochemical hydrogenation and oxidation of organic species provides a sustainable route for synthesizing chemicals. The electrode types, general electrocatalyst selection principles and interface microenvironment control are elucidated, conducive to designing efficient electrocatalysts and reaction systems.","PeriodicalId":18849,"journal":{"name":"Nature reviews. Chemistry","volume":"8 4","pages":"277-293"},"PeriodicalIF":36.3,"publicationDate":"2024-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140288576","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}
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