Abstract The excitation/ionization source is one of the key parts of analytical instruments. As a novel excitation/ionization source, microplasma ionization source has excellent characteristics including small size, low weight, power consumption, and cost, simple and adjustable structure, and high dissociation capability at a low working temperature, which are beneficial for the development of miniaturized instruments for real-time and on-site analysis. This review describes the recent advances in analytical techniques based on microplasma sources for the analysis of trace gaseous, aqueous, and solid species with emphasis on atomic and mass spectrometry. Microplasma source is useful for direct detection, also is typically used in conjunction with chromatography, vapor generation, lasers, and solid-phase extraction for analyzing multiple components in a complex matrix. Finally, future prospects of microplasma excitation/ionization source in miniaturized instruments are also described.
{"title":"Microplasma-based excitation/ionization source: from atomic to mass spectrometry","authors":"Mei-Lan Wang, Bing Qian, Qiaoxia Tian, Jingling Lin, Jing Zhao, Yue Zhang, Bingjun Han","doi":"10.1080/05704928.2022.2041027","DOIUrl":"https://doi.org/10.1080/05704928.2022.2041027","url":null,"abstract":"Abstract The excitation/ionization source is one of the key parts of analytical instruments. As a novel excitation/ionization source, microplasma ionization source has excellent characteristics including small size, low weight, power consumption, and cost, simple and adjustable structure, and high dissociation capability at a low working temperature, which are beneficial for the development of miniaturized instruments for real-time and on-site analysis. This review describes the recent advances in analytical techniques based on microplasma sources for the analysis of trace gaseous, aqueous, and solid species with emphasis on atomic and mass spectrometry. Microplasma source is useful for direct detection, also is typically used in conjunction with chromatography, vapor generation, lasers, and solid-phase extraction for analyzing multiple components in a complex matrix. Finally, future prospects of microplasma excitation/ionization source in miniaturized instruments are also described.","PeriodicalId":8100,"journal":{"name":"Applied Spectroscopy Reviews","volume":"143 1","pages":"443 - 488"},"PeriodicalIF":6.1,"publicationDate":"2022-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83784245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-01-19DOI: 10.1080/05704928.2021.2025068
H. Sun, Bo Yu, Xue Pan, Xiubin Zhu, Zhicheng Liu
Abstract The design and fabrication of novel and robust surface enhanced Raman spectroscopy (SERS) substrate are crucial for the widespread application of SERS technique in the fields of chemistry, biology, and environmental science. Recently, metal organic framework (MOF) material has emerged as attractive material with many unique properties such as high porosity, tunable structure, and rich functionalities. With the help of MOF material, MOF-based SERS substrate can show high sensitivity, excellent selectivity and outstanding stability. Herein, we have reviewed the latest research progress of MOF-based SERS substrate. We mainly focus on the design principles for MOF-based SERS substrates according to the roles of MOF material. Then the recent applications of MOF-based SERS substrates have been summarized. Finally, the future challenges and potential opportunities in the development of MOF-based SERS substrates are discussed.
{"title":"Recent progress in metal–organic frameworks-based materials toward surface-enhanced Raman spectroscopy","authors":"H. Sun, Bo Yu, Xue Pan, Xiubin Zhu, Zhicheng Liu","doi":"10.1080/05704928.2021.2025068","DOIUrl":"https://doi.org/10.1080/05704928.2021.2025068","url":null,"abstract":"Abstract The design and fabrication of novel and robust surface enhanced Raman spectroscopy (SERS) substrate are crucial for the widespread application of SERS technique in the fields of chemistry, biology, and environmental science. Recently, metal organic framework (MOF) material has emerged as attractive material with many unique properties such as high porosity, tunable structure, and rich functionalities. With the help of MOF material, MOF-based SERS substrate can show high sensitivity, excellent selectivity and outstanding stability. Herein, we have reviewed the latest research progress of MOF-based SERS substrate. We mainly focus on the design principles for MOF-based SERS substrates according to the roles of MOF material. Then the recent applications of MOF-based SERS substrates have been summarized. Finally, the future challenges and potential opportunities in the development of MOF-based SERS substrates are discussed.","PeriodicalId":8100,"journal":{"name":"Applied Spectroscopy Reviews","volume":"200 1","pages":"513 - 528"},"PeriodicalIF":6.1,"publicationDate":"2022-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76963999","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-01-05DOI: 10.1080/05704928.2021.2016792
Sirui Pu, Yi Pan, Lichun Zhang, Yi Lv
Abstract The emission of volatile sulfur compounds (VSCs) could cause environmental pollution, low-grade products and human health risks. Accordingly, it is of great significance to establish some sensitive and convenient analytical methods for their identification and determination. With the advantages of fast response, high sensitivity and simple instrument, chemiluminescence (CL) and cataluminescence (CTL) are promising for the detection of VSCs. So far, CL analysis of VSCs has been widely applied in various fields based on auxiliary CL methods and sulfur chemiluminescence detector (SCD), while CTL detection is prosperous in the construction of gas sensors, including the exploration of sensing materials and detection modes. Herein, this mini review briefly summarized the progresses, difficulties and future developments of CL analysis and CTL sensor in the detection of VSCs. GRAPHICAL ABSTRACT
{"title":"Recent advances in chemiluminescence and cataluminescence for the detection of volatile sulfur compounds","authors":"Sirui Pu, Yi Pan, Lichun Zhang, Yi Lv","doi":"10.1080/05704928.2021.2016792","DOIUrl":"https://doi.org/10.1080/05704928.2021.2016792","url":null,"abstract":"Abstract The emission of volatile sulfur compounds (VSCs) could cause environmental pollution, low-grade products and human health risks. Accordingly, it is of great significance to establish some sensitive and convenient analytical methods for their identification and determination. With the advantages of fast response, high sensitivity and simple instrument, chemiluminescence (CL) and cataluminescence (CTL) are promising for the detection of VSCs. So far, CL analysis of VSCs has been widely applied in various fields based on auxiliary CL methods and sulfur chemiluminescence detector (SCD), while CTL detection is prosperous in the construction of gas sensors, including the exploration of sensing materials and detection modes. Herein, this mini review briefly summarized the progresses, difficulties and future developments of CL analysis and CTL sensor in the detection of VSCs. GRAPHICAL ABSTRACT","PeriodicalId":8100,"journal":{"name":"Applied Spectroscopy Reviews","volume":"1 1","pages":"401 - 427"},"PeriodicalIF":6.1,"publicationDate":"2022-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84211144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-12-31DOI: 10.1080/05704928.2021.2020807
F. Villanueva, M. Ródenas, A. Ruus, J. Saffell, M. Gabriel
Abstract Effective evidence-based actions to reduce indoor air pollution must be derived from data obtained using accurate means for assessment of the critical air pollutants and for the identification of their sources. This is of paramount importance to provide robust evidence for establishing effective policies or preventive measures. Nevertheless, designing a reliable sampling plan for assessing concentration of inorganic pollutant in the indoor air requires expertise in conducting rigorous sampling campaigns and proper knowledge on the existing standards and methodologies for assessing concentration of the target substances. Therefore, this review focuses on the relevant information and recommendations that should be considered when designing a sampling plan to collect complementary data on the indoor environment under study, to properly define the criteria for establishing the details for the work and to ensure the quality of the assessments. In particular, comprehensive information on the most commonly used methodologies for the determination of a list of critical inorganic pollutants for indoor air quality monitoring has been compiled. Thus, inorganic gaseous pollutants such as CO2, CO, O3, NO2, NO, NH3, SO2, H2O2, H2S, HNO3 and HNCO are included in the present review.
{"title":"Sampling and analysis techniques for inorganic air pollutants in indoor air","authors":"F. Villanueva, M. Ródenas, A. Ruus, J. Saffell, M. Gabriel","doi":"10.1080/05704928.2021.2020807","DOIUrl":"https://doi.org/10.1080/05704928.2021.2020807","url":null,"abstract":"Abstract Effective evidence-based actions to reduce indoor air pollution must be derived from data obtained using accurate means for assessment of the critical air pollutants and for the identification of their sources. This is of paramount importance to provide robust evidence for establishing effective policies or preventive measures. Nevertheless, designing a reliable sampling plan for assessing concentration of inorganic pollutant in the indoor air requires expertise in conducting rigorous sampling campaigns and proper knowledge on the existing standards and methodologies for assessing concentration of the target substances. Therefore, this review focuses on the relevant information and recommendations that should be considered when designing a sampling plan to collect complementary data on the indoor environment under study, to properly define the criteria for establishing the details for the work and to ensure the quality of the assessments. In particular, comprehensive information on the most commonly used methodologies for the determination of a list of critical inorganic pollutants for indoor air quality monitoring has been compiled. Thus, inorganic gaseous pollutants such as CO2, CO, O3, NO2, NO, NH3, SO2, H2O2, H2S, HNO3 and HNCO are included in the present review.","PeriodicalId":8100,"journal":{"name":"Applied Spectroscopy Reviews","volume":"55 1","pages":"531 - 579"},"PeriodicalIF":6.1,"publicationDate":"2021-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84371310","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-12-24DOI: 10.1080/05704928.2021.2018596
R. M. Duarte, J. Gomes, X. Querol, A. Cattaneo, B. Bergmans, D. Saraga, T. Maggos, A. Di Gilio, S. Rovelli, F. Villanueva
Abstract Particulate matter (PM) is an important player of indoor air quality and a topic of great interest in terms of public health. Deciphering the complex chemical composition of indoor PM is critical to understand the association between particles components and a wide range of adverse health effects. Over the last decades, advanced analytical instrumentation has been produced capable of providing various levels of information on the chemical features of indoor PM. This article reviews the most promising of these sophisticated analytical techniques that could be employed in the identification of organic and inorganic constituents of indoor PM, including (high-resolution) mass spectrometry, organic, carbonaceous and ions analytical techniques, elemental analysis techniques such as atomic spectrometry and X-ray based methods, and surface analysis techniques. A distinction is made between online and offline instrumentation, focusing on their capabilities and how they are currently being used in the targeted and untargeted analysis of PM components. This review aims to provide the indoor air chemistry community with insights into the power of the different techniques available today, so that they can be used advantageously in future studies.
{"title":"Advanced instrumental approaches for chemical characterization of indoor particulate matter","authors":"R. M. Duarte, J. Gomes, X. Querol, A. Cattaneo, B. Bergmans, D. Saraga, T. Maggos, A. Di Gilio, S. Rovelli, F. Villanueva","doi":"10.1080/05704928.2021.2018596","DOIUrl":"https://doi.org/10.1080/05704928.2021.2018596","url":null,"abstract":"Abstract Particulate matter (PM) is an important player of indoor air quality and a topic of great interest in terms of public health. Deciphering the complex chemical composition of indoor PM is critical to understand the association between particles components and a wide range of adverse health effects. Over the last decades, advanced analytical instrumentation has been produced capable of providing various levels of information on the chemical features of indoor PM. This article reviews the most promising of these sophisticated analytical techniques that could be employed in the identification of organic and inorganic constituents of indoor PM, including (high-resolution) mass spectrometry, organic, carbonaceous and ions analytical techniques, elemental analysis techniques such as atomic spectrometry and X-ray based methods, and surface analysis techniques. A distinction is made between online and offline instrumentation, focusing on their capabilities and how they are currently being used in the targeted and untargeted analysis of PM components. This review aims to provide the indoor air chemistry community with insights into the power of the different techniques available today, so that they can be used advantageously in future studies.","PeriodicalId":8100,"journal":{"name":"Applied Spectroscopy Reviews","volume":"43 1","pages":"705 - 745"},"PeriodicalIF":6.1,"publicationDate":"2021-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83488657","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-11-18DOI: 10.1080/05704928.2021.1995870
V. Mihucz, A. Ruus, Jane Raamets, L. Wimmerova, T. Vera, R. Bossi, K. Huttunen
Abstract This review emphasizes the importance of classification of surface reservoirs represented by building and indoor materials. Models developed in the past 45 years to study mainly non-reactive thermodynamic partitioning of air pollutants to surfaces as well as their validation through analytical measurements are discussed. Analytical techniques aiming at surface characterization have been summarized. Applications relevant to surface chemistry performed indoors in the last decade are also given. Finally, techniques for microbiological sampling to characterize the hygienic state of surfaces have also been compiled. Readers will be introduced to the state-of-the-art of analytical techniques that are being used indoors for (physico)chemical and microbiological characterization of surfaces. The focus is on real-time in situ instrumentation used to understand chemical processes rather than air quality monitoring indoors. Our aim was to give an overview of useful instrumentation and a tutorial on analytical approaches and challenges represented by surfaces.
{"title":"A review of microbial and chemical assessment of indoor surfaces","authors":"V. Mihucz, A. Ruus, Jane Raamets, L. Wimmerova, T. Vera, R. Bossi, K. Huttunen","doi":"10.1080/05704928.2021.1995870","DOIUrl":"https://doi.org/10.1080/05704928.2021.1995870","url":null,"abstract":"Abstract This review emphasizes the importance of classification of surface reservoirs represented by building and indoor materials. Models developed in the past 45 years to study mainly non-reactive thermodynamic partitioning of air pollutants to surfaces as well as their validation through analytical measurements are discussed. Analytical techniques aiming at surface characterization have been summarized. Applications relevant to surface chemistry performed indoors in the last decade are also given. Finally, techniques for microbiological sampling to characterize the hygienic state of surfaces have also been compiled. Readers will be introduced to the state-of-the-art of analytical techniques that are being used indoors for (physico)chemical and microbiological characterization of surfaces. The focus is on real-time in situ instrumentation used to understand chemical processes rather than air quality monitoring indoors. Our aim was to give an overview of useful instrumentation and a tutorial on analytical approaches and challenges represented by surfaces.","PeriodicalId":8100,"journal":{"name":"Applied Spectroscopy Reviews","volume":"39 1 1","pages":"817 - 889"},"PeriodicalIF":6.1,"publicationDate":"2021-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79905223","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-11-13DOI: 10.1080/05704928.2021.1995405
A. Spinazzè, F. Borghi, S. Rovelli, V. Mihucz, B. Bergmans, A. Cattaneo, D. Cavallo
Abstract Readers will be introduced to the most common sampling and analytical techniques that are being used indoors for air quality monitoring though the simultaneous determination of several air pollutants (i.e., inorganic and organic gaseous contaminants and airborne particulate matter) and the possible challenges encountered by implementing them. Thus, i) personal exposure equipment; (ii) portable multipollutant monitors; and (iii) fixed monitoring devices have been reviewed. Besides, compiling the most common modular arrangements of instruments, multipollutant analysis approaches through time-integrated and continuous sampling performed during field campaigns organized in several indoor environments in the frame of collaborative research projects are hereby also presented. Our aim was not to compile a comprehensive review on approaches used for multipollutant indoor air quality monitoring but instead to give an overview of potentially useful instrumentation. Discussion on instruments useful for the determination of radicals and bioaerosols as well as use of sensors has been voluntary minimized.
{"title":"Combined and modular approaches for multicomponent monitoring of indoor air pollutants","authors":"A. Spinazzè, F. Borghi, S. Rovelli, V. Mihucz, B. Bergmans, A. Cattaneo, D. Cavallo","doi":"10.1080/05704928.2021.1995405","DOIUrl":"https://doi.org/10.1080/05704928.2021.1995405","url":null,"abstract":"Abstract Readers will be introduced to the most common sampling and analytical techniques that are being used indoors for air quality monitoring though the simultaneous determination of several air pollutants (i.e., inorganic and organic gaseous contaminants and airborne particulate matter) and the possible challenges encountered by implementing them. Thus, i) personal exposure equipment; (ii) portable multipollutant monitors; and (iii) fixed monitoring devices have been reviewed. Besides, compiling the most common modular arrangements of instruments, multipollutant analysis approaches through time-integrated and continuous sampling performed during field campaigns organized in several indoor environments in the frame of collaborative research projects are hereby also presented. Our aim was not to compile a comprehensive review on approaches used for multipollutant indoor air quality monitoring but instead to give an overview of potentially useful instrumentation. Discussion on instruments useful for the determination of radicals and bioaerosols as well as use of sensors has been voluntary minimized.","PeriodicalId":8100,"journal":{"name":"Applied Spectroscopy Reviews","volume":"35 1","pages":"780 - 816"},"PeriodicalIF":6.1,"publicationDate":"2021-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82857777","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-11-05DOI: 10.1080/05704928.2021.1999252
Xueying Li, Zongmin Li, Huimin Qiu, G. Hou, Pingping Fan
Abstract Hyperspectral image (HSI) contains rich spatial and spectral information, which has been widely used in resource exploration, ecological environment monitoring, land cover classification and target recognition. However, the nonlinearity of HSI data and the strong correlation between bands also bring difficulties and challenges to HSI application. In particular, the limited available hyperspectral training samples will lead to the classification accuracy cannot be improved. Therefore, making full use of the advantages of HSI data, through algorithms and strategies to solve the limited training samples, high-dimensional HSI data and effective classification method, so as to improve the classification accuracy. This paper reviews the research results of the feature extraction methods and classification methods of HSI classification in recent years. In addition, this paper expounds five kinds of small sample strategies, and solves the problem of small sample in HSI classification from different angles. Small sample strategy will be the focus of HSI classification research in the future. To solve the problem of small sample classification can greatly promote the application of HSI.
{"title":"An overview of hyperspectral image feature extraction, classification methods and the methods based on small samples","authors":"Xueying Li, Zongmin Li, Huimin Qiu, G. Hou, Pingping Fan","doi":"10.1080/05704928.2021.1999252","DOIUrl":"https://doi.org/10.1080/05704928.2021.1999252","url":null,"abstract":"Abstract Hyperspectral image (HSI) contains rich spatial and spectral information, which has been widely used in resource exploration, ecological environment monitoring, land cover classification and target recognition. However, the nonlinearity of HSI data and the strong correlation between bands also bring difficulties and challenges to HSI application. In particular, the limited available hyperspectral training samples will lead to the classification accuracy cannot be improved. Therefore, making full use of the advantages of HSI data, through algorithms and strategies to solve the limited training samples, high-dimensional HSI data and effective classification method, so as to improve the classification accuracy. This paper reviews the research results of the feature extraction methods and classification methods of HSI classification in recent years. In addition, this paper expounds five kinds of small sample strategies, and solves the problem of small sample in HSI classification from different angles. Small sample strategy will be the focus of HSI classification research in the future. To solve the problem of small sample classification can greatly promote the application of HSI.","PeriodicalId":8100,"journal":{"name":"Applied Spectroscopy Reviews","volume":"134 ","pages":"367 - 400"},"PeriodicalIF":6.1,"publicationDate":"2021-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72420198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Abstract An overview of alcoholic beverages discrimination plus the author’s experimental research work on identification of bland Chinese liquors is presented in this article. First, a summary was given on analytical techniques combined with multivariate statistical analysis for discrimination problems related to alcoholic beverages; and then, our experimental research was presented on discrimination of different aroma types of Chinese liquors by 1H-Nuclear Magnetic Resonance (NMR) and 13C-NMR combined with multivariate statistical analysis. Principal Component Analysis (PCA) was used to highlight the most significant features from high-dimensional data to acquire visual inspections of NMR spectra in the first step. The representative new score values were used as the input variables for Support Vector Machine (SVM), and the performance of this model was evaluated by Leave-One-Out Cross Validation method (LOOCV). Compared with 1H-NMR, the scores of PCA and predications of the SVM model from 13C-NMR spectra showed more significant separation and better prediction performance. 13C-NMR for multivariate analysis might be a more effective tool for identification of these Chinese liquors because of its complementary component information as well as less spectral overlapping than that in 1H-NMR.
{"title":"An overview of alcoholic beverages discrimination and a study on identification of bland Chinese liquors by 13C-NMR and 1H-NMR spectra","authors":"Qing Xiong, Yizhou Li, Kailai Xu, Pengchi Deng, X. Hou","doi":"10.1080/05704928.2021.1988960","DOIUrl":"https://doi.org/10.1080/05704928.2021.1988960","url":null,"abstract":"Abstract An overview of alcoholic beverages discrimination plus the author’s experimental research work on identification of bland Chinese liquors is presented in this article. First, a summary was given on analytical techniques combined with multivariate statistical analysis for discrimination problems related to alcoholic beverages; and then, our experimental research was presented on discrimination of different aroma types of Chinese liquors by 1H-Nuclear Magnetic Resonance (NMR) and 13C-NMR combined with multivariate statistical analysis. Principal Component Analysis (PCA) was used to highlight the most significant features from high-dimensional data to acquire visual inspections of NMR spectra in the first step. The representative new score values were used as the input variables for Support Vector Machine (SVM), and the performance of this model was evaluated by Leave-One-Out Cross Validation method (LOOCV). Compared with 1H-NMR, the scores of PCA and predications of the SVM model from 13C-NMR spectra showed more significant separation and better prediction performance. 13C-NMR for multivariate analysis might be a more effective tool for identification of these Chinese liquors because of its complementary component information as well as less spectral overlapping than that in 1H-NMR.","PeriodicalId":8100,"journal":{"name":"Applied Spectroscopy Reviews","volume":"8 1","pages":"252 - 270"},"PeriodicalIF":6.1,"publicationDate":"2021-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83658810","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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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