Applied Spectroscopy最新文献

Reduction of Spectral Overlap in Spectral Surface-Enhanced Raman Spectroscopy Imaging Using a Dove Prism.

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-02-26 DOI: 10.1177/00037028251322540

Deben N Shoup, Abigail E Smith, Zachary D Schultz

{"title":"Reduction of Spectral Overlap in Spectral Surface-Enhanced Raman Spectroscopy Imaging Using a Dove Prism.","authors":"Deben N Shoup, Abigail E Smith, Zachary D Schultz","doi":"10.1177/00037028251322540","DOIUrl":"https://doi.org/10.1177/00037028251322540","url":null,"abstract":"The ability to combine microscopy and spectroscopy is beneficial for directly monitoring physical and biological processes. Spectral imaging approaches, where a transmission diffraction grating is placed near an imaging sensor to collect both the spatial image and spectrum for each object in the field of view, provide a relatively simple method to simultaneously collect images and spectroscopic responses on the same sensor. Initially demonstrated with fluorescence spectroscopy, the use of spectral imaging in Raman spectroscopy and surface-enhanced Raman spectroscopy (SERS) can provide a vibrational spectrum containing molecularly specific information that can inform on chemical changes. However, a major complication to this approach is the spectral overlap that occurs when objects are spaced closely together horizontally. In this work, we add a dove prism to a spectral imaging instrument developed for SERS imaging, enabling rotation of the collected SERS image and dispersed spectrum onto the imaging complementary metal-oxide semiconductor (CMOS) sensor. We demonstrate that this effectively reduces spectral overlap for emitters with clear separation between them and emitters with slightly overlapping point spread functions thereby facilitating collection of unambiguous spectra from each emitter.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028251322540"},"PeriodicalIF":2.2,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143514573","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Spectroscopic Study of Micro-/Nano-Hydroxyapatite Polymer Composites Modified with Carbon Nanofibers.

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-02-16 DOI: 10.1177/00037028251316290

Anna Kołodziej, Małgorzata Rachwał, Elżbieta Długoń, Magdalena Ziąbka, Aleksandra Wesełucha-Birczyńska

{"title":"Spectroscopic Study of Micro-/Nano-Hydroxyapatite Polymer Composites Modified with Carbon Nanofibers.","authors":"Anna Kołodziej, Małgorzata Rachwał, Elżbieta Długoń, Magdalena Ziąbka, Aleksandra Wesełucha-Birczyńska","doi":"10.1177/00037028251316290","DOIUrl":"https://doi.org/10.1177/00037028251316290","url":null,"abstract":"Nowadays, novel biomaterials are under intense research because they are part of promising therapies for the treatment of age-related diseases such as osteoporosis and bone defects. In the presented study, composites of poly(ε-caprolactone) (PCL), micro and nano hydroxyapatite (µ-HAp and n-HAp) and carbon nanofibers (CNFs) were prepared. The influence of additives on polymeric matrix was analyzed using scanning electron microscopy (SEM), Raman micro-spectroscopy, Raman mapping, and two-dimensional correlation spectroscopy (2D-COS). The bioactivity in vitro was evaluated by a 21-day incubation of prepared membranes in simulated body fluid (SBF). It was concluded that additives can behave as crystallization nuclei of PCL, but they are also located across the entire surface of PCL spherulites, not only in the center. With an increasing content of HAp additives, polymeric spherulites become smaller. The type of HAp (µ-HAp or n-HAp) influences the PCL matrix differently, as confirmed by 2D-COS. The component whose addition leads to most significant changes in the polymer is CNFs; polymeric spherulites are small to the extent that they are not distinguishable, and the overall amorphousness of the polymer is the highest among all tested materials, as is its hydrophobicity. The bioactivity test indicated that the membrane with the greatest potential for use as a biomaterial in bone tissue engineering is one consisting of n-HAp (15 wt%) and CNFs, as very uniform coverage of the produced apatite was observed on the surface of this membrane after incubation in SBF.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028251316290"},"PeriodicalIF":2.2,"publicationDate":"2025-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143432369","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Understanding and Employing (Non-)Linearities in Attenuated Total Reflection Spectroscopy.

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-02-13 DOI: 10.1177/00037028251317540

Thomas G Mayerhöfer, Jürgen Popp

引用次数: 0

Continuous Monitoring of Sulfur Dioxide Removal Using K-Band Molecular Rotational Resonance Spectroscopy.

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-02-09 DOI: 10.1177/00037028251317215

Sai Eswar Jasti, Md Abrar Jamil, Chandru P Chandrasekaran, Suying Wei, Sylvestre Twagirayezu

{"title":"Continuous Monitoring of Sulfur Dioxide Removal Using K-Band Molecular Rotational Resonance Spectroscopy.","authors":"Sai Eswar Jasti, Md Abrar Jamil, Chandru P Chandrasekaran, Suying Wei, Sylvestre Twagirayezu","doi":"10.1177/00037028251317215","DOIUrl":"https://doi.org/10.1177/00037028251317215","url":null,"abstract":"Sulfur dioxide (SO2), an air pollutant, poses significant threats to both public health and the environment. It is one of the six air pollutants regulated by the U.S. Environmental Protection Agency under the Clean Air Act. In efforts to determine the application of molecular rotational resonance (MRR) spectroscopy for monitoring SO2 and its removal from point sources, a K-band MRR technique was evaluated. This method was applied to measure the products of heated mixtures of SO2 and oxygen (O2) in the presence of ammonium metavanadate (NH4VO3) as a catalyst. The observed MRR spectrum revealed the presence of SO2, water vapor (H2O), and ammonia (NH3) due to the sensitivity of MRR to only polar species. SO2 removal was further confirmed by the disappearance of SO2 as NH3 formed. The work presented here analyzed the measurements of SO2 and validated K-band MRR for monitoring SO2 removal. It was observed that the K-band MRR maintains its linearity and other polar species in the mixture did not interfere with MRR signature of SO2. The limit of detection, better than 1%, was determined by evaluating targeted K-band MRR signal response of SO2 removal obtained at varying partial pressures of SO2 in the mixture and using the MRR signal of pure SO2 at 3 mTorr as a reference (100%). Additionally, the results showed that the accuracy and precision of K-band MRR for measuring SO2 partial pressure were satisfactory.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028251317215"},"PeriodicalIF":2.2,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143381481","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Multichannel Dilution Analysis Using a Single Peristaltic Pump Tube.

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-02-05 DOI: 10.1177/00037028251315753

Robbie M Huff, Willis B Jones, Bradley T Jones

{"title":"Multichannel Dilution Analysis Using a Single Peristaltic Pump Tube.","authors":"Robbie M Huff, Willis B Jones, Bradley T Jones","doi":"10.1177/00037028251315753","DOIUrl":"https://doi.org/10.1177/00037028251315753","url":null,"abstract":"Multi-channel dilution analysis (MCDA) is a novel, matrix-matched calibration method that automatically dilutes a standard solution using a tubing manifold to split a solution stream traveling between an autosampler and an analytical instrument. The manifold consists of separate tubing channels of various lengths, resulting in a stairstep of signal levels as different portions of the solution reach the instrument to be measured at different points in time. Multi-channel dilution analysis was initially developed on an inductively coupled plasma optical emission spectrometer (ICP-OES) equipped with a peristaltic pump with five channels, with three used to drive solution through individual tubes in the manifold and a fourth reserved for waste. The setup limited MCDA measurements from being realized on instruments that have fewer pump channels without employing an external pump. The use of a single peristaltic pump line to drive solution through the entire tubing manifold is proposed as a feasible way to overcome this hardware limitation and is applied to both ICP-OES and ICP mass spectrometry (ICP-MS). The method is validated through the analysis of certified reference materials, with recoveries for a suite of analytes ranging from 83% to 117%, with relative standard deviations on the order of 1%. The matrix matching capabilities of the method are demonstrated through the analysis of spiked matrices containing high concentrations of ethanol and calcium, and a comparison to traditional calibration techniques. In addition, the improvements in calibration statistics for ICP-MS measurements using MCDA are discussed.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028251315753"},"PeriodicalIF":2.2,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143254460","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Demixing and Analysis of Complex Biological Raman Hyperspectra Based on Peak Fitting, Amplitude Trend Clustering, and Spectrum Reconstruction.

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-02-02 DOI: 10.1177/00037028241311296

H Georg Schulze, Shreyas Rangan, Martha Z Vardaki, Michael W Blades, Robin F B Turner, James M Piret

{"title":"Demixing and Analysis of Complex Biological Raman Hyperspectra Based on Peak Fitting, Amplitude Trend Clustering, and Spectrum Reconstruction.","authors":"H Georg Schulze, Shreyas Rangan, Martha Z Vardaki, Michael W Blades, Robin F B Turner, James M Piret","doi":"10.1177/00037028241311296","DOIUrl":"https://doi.org/10.1177/00037028241311296","url":null,"abstract":"To better interpret the Raman spectra from mammalian cells, it is often desirable to reduce their complexity by decomposing them into the spectral contributions from individual macromolecules or types of macromolecules. Diverse methods exist for demixing complex spectra, each with different benefits and drawbacks. However, some methods require a library of component spectra that might not be available, while others are hampered by noise and peak congestion that includes many proximal overlapping peaks. Through rapid fitting of individual peaks in every spectrum of a Raman hyperspectral data set, we have obtained individual peak parameters from which we determined the trends for all the peak amplitudes. We then grouped similar trends with k-means clustering. Then we used the peak parameters of all the peaks in a given cluster to reconstruct a spectrum representative of that cluster. This method produced spectra that were less distorted by unrelated overlapping peaks or noise, were less congested than those in the hyperspectral set, and thereby improved peak identification and macromolecule recognition. We have demonstrated the application of the method with Raman spectra from a perchlorate-polystyrene model system and extended it to complex spectra from methanol-fixed mammalian cells. We were able to recover independent spectra of perchlorate and polystyrene in the model system and spectra pertaining to individual macromolecular types (proteins, nucleic acids, lipids) from the mammalian cell data. We discuss how imperfections in spectral preprocessing and peak fitting can adversely affect the results. In summary, we have provided a proof-of-concept for a novel mixture resolution method with different attributes than extant ones.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241311296"},"PeriodicalIF":2.2,"publicationDate":"2025-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143078516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Gold Nanorod Surface-Enhanced Raman Spectroscopy Substrate for l-DOPA Detection: Experimental and Theoretical Approaches.

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-02-02 DOI: 10.1177/00037028251315208

Tatiana Ap de Oliveira, Cibely S Martin, Rafael J G Rubira, Anerise de Barros, Italo O Mazali, Luiz P Zidoi, Augusto Batagin-Neto, Carlos J L Constantino

引用次数: 0

Feature Selection and Spectral Indices for Identifying Maize Stress Types. 用于识别玉米胁迫类型的特征选择和光谱指数

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-02-01 Epub Date: 2024-09-23 DOI: 10.1177/00037028241279328

Yanru Li, Keming Yang, Bing Wu

{"title":"Feature Selection and Spectral Indices for Identifying Maize Stress Types.","authors":"Yanru Li, Keming Yang, Bing Wu","doi":"10.1177/00037028241279328","DOIUrl":"10.1177/00037028241279328","url":null,"abstract":"This study aims to identify different types of stress on maize leaves using feature selection and spectral index methods. Spectral data were collected from leaves under heavy metal, water, fertilizer stress, as well as under normal healthy conditions. Preprocessing steps such as continuum removal (CR), standard normal variable (SNV) transformation, multiple scattering correction (MSC), detrend correction (DT), and first-order derivative (FOD) were applied to the raw spectra. Various feature selection methods including ReliefF, chi-square test, recursive feature elimination (FRE), mutual information (MI), random forest (RF), and gradient boosting tree (GBT) were employed to determine the importance scores of different spectral bands, thus identifying sensitive spectral features capable of distinguishing various stress types. Spectral indices for stress type differentiation were constructed using label correlation method. Classification models were built using support vector machine (SVM), K-nearest neighbors (KNN), Gaussian naive Bayes (GNB), extreme gradient boosting (XGBoost), RF, and adaptive boosting (AdaBoost) algorithms. Results indicate that the characteristic spectral bands for differentiating stress types are primarily distributed around the red edge (near 700-800 nm) and water absorption valley (near 1900 nm). Spectral indices constructed using combinations of spectral bands around the near-infrared plateau absorption valley (near 1185 nm) and water absorption valley (near 1460 nm) effectively differentiate maize stress types. Among the modeling classification algorithms, RF and AdaBoost algorithms exhibited optimal performance, demonstrating high classification accuracy on both training and validation sets. These findings hold promise for providing new technical support for maize stress monitoring and diagnosis in agricultural production.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"306-319"},"PeriodicalIF":2.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142279786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Detection of Nickel Atoms Released from Electrodes in Spark Discharges Using Laser-Induced Fluorescence. 利用激光诱导荧光检测火花放电中电极释放的镍原子

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-02-01 Epub Date: 2024-09-28 DOI: 10.1177/00037028241285150

Kailun Zhang, Ruike Bi, Johan Tidholm, Jakob Ängeby, Mattias Richter, Andreas Ehn

{"title":"Detection of Nickel Atoms Released from Electrodes in Spark Discharges Using Laser-Induced Fluorescence.","authors":"Kailun Zhang, Ruike Bi, Johan Tidholm, Jakob Ängeby, Mattias Richter, Andreas Ehn","doi":"10.1177/00037028241285150","DOIUrl":"10.1177/00037028241285150","url":null,"abstract":"The reduction of greenhouse gas emissions and the effort of carbon neutrality require the improvement of spark-ignition engines in terms of efficiency and capability to operate on renewable fuels. The electrode wear of spark plugs, used for ignition of novel fuels and lean mixtures, emerges as a significant challenge in this transition. Understanding the physical mechanism and influence of spark operation parameters of the wear process is thus important. Compared to the conventional methodology of performing long-term wear tests, laser-based optical diagnostics methods are capable of assessing electrode wear during one single or a few spark discharges. In this work, the necessary initial steps required for performing optical investigations using laser-induced fluorescence (LIF) are presented. Several excitation pathways of nickel atoms were investigated, and 336.96 nm was identified as the optimal one. This excitation approach yielded emissions between 338.75 and 353.58 nm, effectively avoiding the major interference from N2 plasma emission in spark discharges. Additionally, a linear relationship in fluorescence signal intensity with excitation energy up to 400 µJ was observed. These findings indicate the potential of LIF for in situ diagnostics of electrode wear, contributing to engine development in both efficiency and compatibility with sustainable fuels.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"281-288"},"PeriodicalIF":2.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11823277/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142340055","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Solid State Vanadate Laser and 213 nm Rayleigh Rejection Filter Enable Miniaturized Deep Ultraviolet Raman Spectrometers. 固态钒酸盐激光器和 213 nm 瑞利抑制滤波器实现了微型化深紫外拉曼光谱仪。

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-02-01 Epub Date: 2024-09-26 DOI: 10.1177/00037028241280722

Sergei V Bykov, Sanford A Asher

引用次数: 0