ACS Measurement Science Au最新文献

{"title":"Multivariate Strategy for Understanding Soil Features from Rare-Earth Element Profiles: A Focus on Data Normalization","authors":"Marcella Barbera,&nbsp;Sara Gariglio,&nbsp;Cristina Malegori*,&nbsp;Paolo Oliveri,&nbsp;Filippo Saiano,&nbsp;Riccardo Scalenghe and Daniela Piazzese,&nbsp;","doi":"10.1021/acsmeasuresciau.4c0008410.1021/acsmeasuresciau.4c00084","DOIUrl":"https://doi.org/10.1021/acsmeasuresciau.4c00084https://doi.org/10.1021/acsmeasuresciau.4c00084","url":null,"abstract":"<p >The interest in assessing the behavior of rare-earth elements (REE) in the natural environment is constantly increasing due to their numerous applications in both environmental and technological fields. However, current methodologies for analyzing REE distributions are based on normalization of REE concentration profiles to lithological values, potentially resulting in different outcomes depending on which lithological values are used for normalization, affecting the interpretability of the data. The present work proposes an alternative approach for analyzing REE concentration profiles by applying principal component analysis (PCA) to create REE chemometric maps. The data compression allows the visualization of the REE distribution using a red-green-blue (RGB) color scale (PC1 = red channel; PC2 = green channel; PC3 = blue channel) directly on a geographical map, reflecting the chemical properties of rare-earth elements. This highlights similarities and differences in the compositional REE distribution of natural soils, facilitating the interpretability of REE data and potentially leading to new insights related to seemingly unrelated samples. Additionally, PCA applied to soil variables correlates with REE patterns and provides deeper insights into soil properties in an unsupervised manner, enhancing the interpretation of soil characteristics and implementing the ability to monitor environmental changes and study soil evolution processes. Of particular significance is the fact that applying the proposed methodology to non-normalized data yields results that are consistent with those derived from normalized data sets. Therefore, this approach not only overcomes normalization challenges but also supports the classical approach from a new methodological perspective, paving the way for broader applications.</p>","PeriodicalId":29800,"journal":{"name":"ACS Measurement Science Au","volume":"5 2","pages":"189–198 189–198"},"PeriodicalIF":4.6,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsmeasuresciau.4c00084","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832716","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multivariate Strategy for Understanding Soil Features from Rare-Earth Element Profiles: A Focus on Data Normalization.","authors":"Marcella Barbera, Sara Gariglio, Cristina Malegori, Paolo Oliveri, Filippo Saiano, Riccardo Scalenghe, Daniela Piazzese","doi":"10.1021/acsmeasuresciau.4c00084","DOIUrl":"https://doi.org/10.1021/acsmeasuresciau.4c00084","url":null,"abstract":"<p><p>The interest in assessing the behavior of rare-earth elements (REE) in the natural environment is constantly increasing due to their numerous applications in both environmental and technological fields. However, current methodologies for analyzing REE distributions are based on normalization of REE concentration profiles to lithological values, potentially resulting in different outcomes depending on which lithological values are used for normalization, affecting the interpretability of the data. The present work proposes an alternative approach for analyzing REE concentration profiles by applying principal component analysis (PCA) to create REE chemometric maps. The data compression allows the visualization of the REE distribution using a red-green-blue (RGB) color scale (PC1 = red channel; PC2 = green channel; PC3 = blue channel) directly on a geographical map, reflecting the chemical properties of rare-earth elements. This highlights similarities and differences in the compositional REE distribution of natural soils, facilitating the interpretability of REE data and potentially leading to new insights related to seemingly unrelated samples. Additionally, PCA applied to soil variables correlates with REE patterns and provides deeper insights into soil properties in an unsupervised manner, enhancing the interpretation of soil characteristics and implementing the ability to monitor environmental changes and study soil evolution processes. Of particular significance is the fact that applying the proposed methodology to non-normalized data yields results that are consistent with those derived from normalized data sets. Therefore, this approach not only overcomes normalization challenges but also supports the classical approach from a new methodological perspective, paving the way for broader applications.</p>","PeriodicalId":29800,"journal":{"name":"ACS Measurement Science Au","volume":"5 2","pages":"189-198"},"PeriodicalIF":4.6,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12006955/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144041837","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"White Light Transmission Spectroscopy for Rapid Quality Control Imperfection Identification in Nanoimprinted Surface-Enhanced Raman Spectroscopy Substrates","authors":"Mike Hardy*,&nbsp;Hin On Martin Chu,&nbsp;Serene Pauly,&nbsp;Katie F. Cavanagh,&nbsp;Breandán J.F. Hill,&nbsp;Jason Wiggins,&nbsp;Alina Schilling,&nbsp;Pola Goldberg Oppenheimer,&nbsp;Liam M. Grover,&nbsp;Richard J. Winfield,&nbsp;Jade N. Scott,&nbsp;Matthew D. Doherty,&nbsp;Ryan McCarron,&nbsp;William R. Hendren,&nbsp;Paul Dawson and Robert M. Bowman,&nbsp;","doi":"10.1021/acsmeasuresciau.5c0000310.1021/acsmeasuresciau.5c00003","DOIUrl":"https://doi.org/10.1021/acsmeasuresciau.5c00003https://doi.org/10.1021/acsmeasuresciau.5c00003","url":null,"abstract":"<p >Miniaturized biomedical sensor development requires improvements in lithographic processes in terms of cost and scalability. Of particular promise is nanoimprint lithography (NIL), but this can suffer from a lack of high-fidelity pattern reproducibility between master and imprinted substrates. Herein, we present a multidisciplinary investigation into gold- and iron-coated NIL sensors including custom optics and spectroscopy, scanning probe microscopy, and data analysis insights. Polyurethane NIL-made nanodome arrays were interrogated with white light transmission spectroscopy, coupled with principal component analysis (PCA) to investigate potential offsets in the photon-substrate plane interaction angle, an imperfection in NIL substrates. Large-angle mismatches (2–10°) were found to be easily discernible by PCA with statistically significant differences (<i>p</i> = 0.05). Unexpected dips in some spectra are postulated to be due to interacting localized and propagating plasmon polaritons, which is supported with a coupled two-oscillator model. General insights are made regarding the interpretation of PCA loadings, which should be related to physical phenomena, and where maximum variance is not necessarily the most meaningful criterion. Smaller angles (&lt;1°) show no significant differences with overlapping confidence intervals in PCA space. Surface-enhanced Raman spectroscopy (SERS) measurements on gold-coated nanodomes returned relative standard deviations of 6–10% via analysis of gelatin, which is of interest as a nasal lining approximation. Interestingly, nanodomes coated in iron produced small, but useful SERS enhancements, which was subsequently interrogated via scanning thermal probe microscopy showing temperature increases of up to 5 °C over the area of one nanostructure (∼1 μm²). Nanostructures remained intact despite the surprising large local temperature increase relative to a gold-coated comparison sample (∼2 °C). The current study provides a framework for the rapid and accurate quality control assessment of imperfections in NIL-produced nanostructures for sensing applications in SERS and surface plasmon resonance, which may need precisely fabricated nanostructures.</p>","PeriodicalId":29800,"journal":{"name":"ACS Measurement Science Au","volume":"5 2","pages":"250–263 250–263"},"PeriodicalIF":4.6,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsmeasuresciau.5c00003","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"White Light Transmission Spectroscopy for Rapid Quality Control Imperfection Identification in Nanoimprinted Surface-Enhanced Raman Spectroscopy Substrates.","authors":"Mike Hardy, Hin On Martin Chu, Serene Pauly, Katie F Cavanagh, Breandán J F Hill, Jason Wiggins, Alina Schilling, Pola Goldberg Oppenheimer, Liam M Grover, Richard J Winfield, Jade N Scott, Matthew D Doherty, Ryan McCarron, William R Hendren, Paul Dawson, Robert M Bowman","doi":"10.1021/acsmeasuresciau.5c00003","DOIUrl":"https://doi.org/10.1021/acsmeasuresciau.5c00003","url":null,"abstract":"<p><p>Miniaturized biomedical sensor development requires improvements in lithographic processes in terms of cost and scalability. Of particular promise is nanoimprint lithography (NIL), but this can suffer from a lack of high-fidelity pattern reproducibility between master and imprinted substrates. Herein, we present a multidisciplinary investigation into gold- and iron-coated NIL sensors including custom optics and spectroscopy, scanning probe microscopy, and data analysis insights. Polyurethane NIL-made nanodome arrays were interrogated with white light transmission spectroscopy, coupled with principal component analysis (PCA) to investigate potential offsets in the photon-substrate plane interaction angle, an imperfection in NIL substrates. Large-angle mismatches (2-10°) were found to be easily discernible by PCA with statistically significant differences (<i>p</i> = 0.05). Unexpected dips in some spectra are postulated to be due to interacting localized and propagating plasmon polaritons, which is supported with a coupled two-oscillator model. General insights are made regarding the interpretation of PCA loadings, which should be related to physical phenomena, and where maximum variance is not necessarily the most meaningful criterion. Smaller angles (<1°) show no significant differences with overlapping confidence intervals in PCA space. Surface-enhanced Raman spectroscopy (SERS) measurements on gold-coated nanodomes returned relative standard deviations of 6-10% via analysis of gelatin, which is of interest as a nasal lining approximation. Interestingly, nanodomes coated in iron produced small, but useful SERS enhancements, which was subsequently interrogated via scanning thermal probe microscopy showing temperature increases of up to 5 °C over the area of one nanostructure (∼1 μm²). Nanostructures remained intact despite the surprising large local temperature increase relative to a gold-coated comparison sample (∼2 °C). The current study provides a framework for the rapid and accurate quality control assessment of imperfections in NIL-produced nanostructures for sensing applications in SERS and surface plasmon resonance, which may need precisely fabricated nanostructures.</p>","PeriodicalId":29800,"journal":{"name":"ACS Measurement Science Au","volume":"5 2","pages":"250-263"},"PeriodicalIF":4.6,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12006957/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144015197","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Celebrating 5 Years of the ACS Au Journal Family.","authors":"Paul D Goring, Amelia Newman, Christopher W Jones, Shelley D Minteer","doi":"10.1021/acsmeasuresciau.5c00017","DOIUrl":"https://doi.org/10.1021/acsmeasuresciau.5c00017","url":null,"abstract":"","PeriodicalId":29800,"journal":{"name":"ACS Measurement Science Au","volume":"5 2","pages":"157-159"},"PeriodicalIF":4.6,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12006947/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144031376","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Celebrating 5 Years of the ACS Au Journal Family","authors":"Paul D. Goring,&nbsp;Amelia Newman,&nbsp;Christopher W. Jones* and Shelley D. Minteer*,&nbsp;","doi":"10.1021/acsmeasuresciau.5c0001710.1021/acsmeasuresciau.5c00017","DOIUrl":"https://doi.org/10.1021/acsmeasuresciau.5c00017https://doi.org/10.1021/acsmeasuresciau.5c00017","url":null,"abstract":"","PeriodicalId":29800,"journal":{"name":"ACS Measurement Science Au","volume":"5 2","pages":"157–159 157–159"},"PeriodicalIF":4.6,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsmeasuresciau.5c00017","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832836","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel Separation Media with Metal Oxide Nanostructures for Capillary Electrochromatography.","authors":"Katsuya Nakano, Ryoma Kamei, Eisuke Kanao, Takuro Hosomi, Sayaka Konishi Yamada, Yasushi Ishihama, Takeshi Yanagida, Takuya Kubo","doi":"10.1021/acsmeasuresciau.4c00089","DOIUrl":"https://doi.org/10.1021/acsmeasuresciau.4c00089","url":null,"abstract":"<p><p>Zinc oxide nanowires (ZnO nanowire, ZnO NWs) are nanostructures that have drawn attention as separation media for efficient biomolecules because of high biological compatibility and low cost. Development of the capillary column (ZnO column) using a ZnO NW to an inner wall has been reported, although there are only a few studies about molecular recognition of a ZnO NW regardless of numerous studies reporting ZnO NWs. In our previous studies, we conducted fundamental research to elucidate molecular recognition of ZnO NW and develop a novel liquid phase separation field. Consequently, we achieved baseline separation of mixed adenosine phosphate analytes using a phosphate buffer in the mobile phase. In this study, to improve the low resistance of ZnO NW toward a solvent, we covered a surface of ZnO NW with titanium oxide (TiO₂) thin layers using atomic layer deposition. As a result, the column (TiO₂ NW column) showed high affinity toward acidic compounds like the ZnO column, strongly interacting with especially phosphate groups. Resistance of ZnO NW to a weak acidic buffer solution was then dramatically improved. This is because multipoint electrostatic interaction between the phosphate groups and the NW surface occurred. Next, we conducted capillary electrochromatography to examine the possibility for application of separation analysis. The elution order of the phosphorylated compound was successfully controlled by the migration solution containing aqueous acetonitrile with weak acids.</p>","PeriodicalId":29800,"journal":{"name":"ACS Measurement Science Au","volume":"5 2","pages":"199-207"},"PeriodicalIF":4.6,"publicationDate":"2025-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12006950/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144052570","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel Separation Media with Metal Oxide Nanostructures for Capillary Electrochromatography","authors":"Katsuya Nakano,&nbsp;Ryoma Kamei,&nbsp;Eisuke Kanao,&nbsp;Takuro Hosomi,&nbsp;Sayaka Konishi Yamada,&nbsp;Yasushi Ishihama,&nbsp;Takeshi Yanagida and Takuya Kubo*,&nbsp;","doi":"10.1021/acsmeasuresciau.4c0008910.1021/acsmeasuresciau.4c00089","DOIUrl":"https://doi.org/10.1021/acsmeasuresciau.4c00089https://doi.org/10.1021/acsmeasuresciau.4c00089","url":null,"abstract":"<p >Zinc oxide nanowires (ZnO nanowire, ZnO NWs) are nanostructures that have drawn attention as separation media for efficient biomolecules because of high biological compatibility and low cost. Development of the capillary column (ZnO column) using a ZnO NW to an inner wall has been reported, although there are only a few studies about molecular recognition of a ZnO NW regardless of numerous studies reporting ZnO NWs. In our previous studies, we conducted fundamental research to elucidate molecular recognition of ZnO NW and develop a novel liquid phase separation field. Consequently, we achieved baseline separation of mixed adenosine phosphate analytes using a phosphate buffer in the mobile phase. In this study, to improve the low resistance of ZnO NW toward a solvent, we covered a surface of ZnO NW with titanium oxide (TiO₂) thin layers using atomic layer deposition. As a result, the column (TiO₂ NW column) showed high affinity toward acidic compounds like the ZnO column, strongly interacting with especially phosphate groups. Resistance of ZnO NW to a weak acidic buffer solution was then dramatically improved. This is because multipoint electrostatic interaction between the phosphate groups and the NW surface occurred. Next, we conducted capillary electrochromatography to examine the possibility for application of separation analysis. The elution order of the phosphorylated compound was successfully controlled by the migration solution containing aqueous acetonitrile with weak acids.</p>","PeriodicalId":29800,"journal":{"name":"ACS Measurement Science Au","volume":"5 2","pages":"199–207 199–207"},"PeriodicalIF":4.6,"publicationDate":"2025-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsmeasuresciau.4c00089","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143832829","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction to \"Sensing Liquid- and Gas-Phase Hydrocarbons via Mid-Infrared Broadband Femtosecond Laser Source Spectroscopy\".","authors":"Michael Hlavatsch, Andrea Teuber, Max Eisele, Boris Mizaikoff","doi":"10.1021/acsmeasuresciau.5c00004","DOIUrl":"https://doi.org/10.1021/acsmeasuresciau.5c00004","url":null,"abstract":"<p><p>[This corrects the article DOI: 10.1021/acsmeasuresciau.3c00026.].</p>","PeriodicalId":29800,"journal":{"name":"ACS Measurement Science Au","volume":"5 1","pages":"155"},"PeriodicalIF":4.6,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11843509/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143484180","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction to “Sensing Liquid- and Gas-Phase Hydrocarbons via Mid-Infrared Broadband Femtosecond Laser Source Spectroscopy”","authors":"Michael Hlavatsch,&nbsp;Andrea Teuber,&nbsp;Max Eisele and Boris Mizaikoff*,&nbsp;","doi":"10.1021/acsmeasuresciau.5c0000410.1021/acsmeasuresciau.5c00004","DOIUrl":"https://doi.org/10.1021/acsmeasuresciau.5c00004https://doi.org/10.1021/acsmeasuresciau.5c00004","url":null,"abstract":"","PeriodicalId":29800,"journal":{"name":"ACS Measurement Science Au","volume":"5 1","pages":"155 155"},"PeriodicalIF":4.6,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsmeasuresciau.5c00004","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}