Applied Spectroscopy最新文献

{"title":"Evaluation of Breast Cancer Gene Type 1 (BRCA1) Protein Levels in Cancer Tissue Using Surface-Enhanced Raman Spectroscopy.","authors":"Ece Miser-Salihoğlu, Hasan İlhan, Uğur Tamer, Sevgi Akaydin","doi":"10.1177/00037028241297716","DOIUrl":"10.1177/00037028241297716","url":null,"abstract":"<p><p>Raman spectroscopy is a chemical process that utilizes the interaction between light and matter to get significant insights into the structure or characteristics of matter. Raman spectroscopy techniques, such as quantitative evaluation, early diagnostic capabilities, and elucidation of the spectral properties of tissues, are excellent candidates for use in research. In cancer, changes in genes and proteins expressed by related genes are associated with a poor prognosis and aggressive tumor characteristics. Due to modifications and regulatory steps in protein translation, the results of the messenger RNA (mRNA) expression of genes may not correctly reflect the results of protein expression. For this reason, the mRNA and protein expressions of genes are studied in parallel in molecular studies on cancer. In our study, the breast cancer gene type 1 (BRCA1) gene, which is frequently studied in breast cancer and is relatively more difficult to measure by traditional methods due to its high molecular weight, was selected, and protein quantification was performed in tissue samples by Raman spectroscopy. With Raman spectroscopy, it is possible to obtain rapid and precise quantitative results even with a small amount of sample, so it is quite advantageous compared to traditional methods. In our study, we performed surface-enhanced Raman spectroscopy (SERS) to analyze the quantitative protein amount. SERS is a highly sensitive method for detecting compounds at low concentrations. For this purpose, magnetic nanoparticles modified with protein antibodies were used, and the target protein was withdrawn from the complex environment and transferred to an appropriate buffer environment. The calibration curve for BRCA1, which plots Raman intensity against concentration, was derived by calculating the average response reading from duplicate assays conducted under identical conditions. The BRCA1 protein levels of cells were determined from the regression curve of the BRCA1 protein. The relation between the concentration of BRCA1 protein and SERS spectrum intensity was determined to be logarithmic in the range of 300 µg·mL^-1 to 292 ng·mL^-1 (<i>R</i>² = 0.9928, limit of detection = 10.41 µg·mL^-1, and limit of quantitation = 31.24 µg·mL^-1).</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"458-464"},"PeriodicalIF":2.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142783911","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}

{"title":"Quasi-Non-Destructive Estimation of Concrete Compression Strength Using Laser-Induced Breakdown Spectroscopy and Multivariate Analysis.","authors":"Shuzo Eto, Taku Otsuka","doi":"10.1177/00037028241262040","DOIUrl":"10.1177/00037028241262040","url":null,"abstract":"<p><p>Micro- and non-destructive methods of estimating compressive strength are useful for diagnosing the degradation of reinforced structures. The velocity of waves propagating through concrete can be measured using conventional non-destructive methods; however, the propagation path of waves varies depending on the distribution of coarse aggregate, resulting in variations in velocity at different measurement points. To address this issue, a method based on laser-induced breakdown spectroscopy and multivariate analysis was developed in this study for estimating the compressive strength of concrete non-destructively, ensuring the non-influence of the coarse aggregate spatial distribution. The method is based on the correlation between the emission intensity of the spectrum and the hardness of the object to be measured. Principal component analysis and partial least squares regression (PLSR) were used to extract the mortar spectrum, which determines the compressive strength of concrete, from a mixture of aggregate and mortar spectra. The compressive strength estimated based on the proposed method was consistent with the values obtained from the compressive strength test, which indicates the possibility of using multivariable analysis to estimate the compressive strength of concrete. Furthermore, the proposed method enabled on-site measurements through a simple experimental setup and insensitivity to spectral noise offered by PLSR.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"353-365"},"PeriodicalIF":2.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141330297","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}

{"title":"Developing Correction Methods by Revisiting the Concept of Effective Thickness in Attenuated Total Reflection Spectroscopy.","authors":"Thomas G Mayerhöfer, Jürgen Popp","doi":"10.1177/00037028241290838","DOIUrl":"10.1177/00037028241290838","url":null,"abstract":"<p><p>We propose a new way of deriving the effective thickness in attenuated total reflection (ATR) spectroscopy, initially introduced by Hansen and Harrick in 1965. While following Hansen's approach, our derivation is more straightforward and includes an intermediate approximation that more closely aligns with results derived from Fresnel's equations, particularly for organic and biological materials. Using this intermediate approximation, we present improved estimations for the effective thicknesses with <i>s</i>- and <i>p</i>-polarized light. These estimations enabled us to enhance a recently developed ATR correction scheme that relies on effective thickness. Additionally, we examined the wavelength dependence of the product of wavenumber and effective thickness, observing that it bears a resemblance to the refractive index function of the sample. This similarity increases with the angle of incidence and the refractive index of the ATR crystal. Based on this observation, we introduce a simple correction scheme using the Kramers-Kronig transformed absorbance. This correction has the potential to address spectral shifts, facilitating applications in pattern recognition and spectra identification.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"465-472"},"PeriodicalIF":2.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142520789","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}

{"title":"Machine Learning Approaches for the Fusion of Near-Infrared, Mid-Infrared, and Raman Data to Identify Cartilage Degradation in Human Osteochondral Plugs.","authors":"Valeria Tafintseva, Ervin Nippolainen, Vesa Virtanen, Johanne Heitmann Solheim, Boris Zimmermann, Simo Saarakkala, Heikki Kröger, Achim Kohler, Juha Töyräs, Isaac O Afara, Rubina Shaikh","doi":"10.1177/00037028241285583","DOIUrl":"10.1177/00037028241285583","url":null,"abstract":"<p><p>Vibrational spectroscopy methods such as mid-infrared (MIR), near-infrared (NIR), and Raman spectroscopies have been shown to have great potential for in vivo biomedical applications, such as arthroscopic evaluation of joint injuries and degeneration. Considering that these techniques provide complementary chemical information, in this study, we hypothesized that combining the MIR, NIR, and Raman data from human osteochondral samples can improve the detection of cartilage degradation. This study evaluated 272 osteochondral samples from 18 human knee joins, comprising both healthy and damaged tissue according to the reference Osteoarthritis Research Society International grading system. We established the one-block and multi-block classification models using partial least squares discriminant analysis (PLSDA), random forest, and support vector machine (SVM) algorithms. Feature modeling by principal component analysis was tested for the SVM (PCA-SVM) models. The best one-block models were built using MIR and Raman data, discriminating healthy cartilage from damaged with an accuracy of 77.5% for MIR and 77.8% for Raman using the PCA-SVM algorithm, whereas the NIR data did not perform as well achieving only 68.5% accuracy for the best model using PCA-SVM. The multi-block approach allowed an improvement with an accuracy of 81.4% for the best model by PCA-SVM. Fusing three blocks using MIR, NIR, and Raman by multi-block PLSDA significantly improved the performance of the single-block models to 79.1% correct classification. The significance was proven by statistical testing using analysis of variance. Thus, the study suggests the potential and the complementary value of the fusion of different spectroscopic techniques and provides valuable data analysis tools for the diagnostics of cartilage health.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"385-395"},"PeriodicalIF":2.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142602887","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}

{"title":"Platform for Aldehyde and Ketone Quantitation Using Surface-Enhanced Raman Spectroscopy.","authors":"Merwan Benhabib, Mark C Peterman","doi":"10.1177/00037028241296845","DOIUrl":"10.1177/00037028241296845","url":null,"abstract":"<p><p>Colorimetric methods for aldehyde and ketone analyses are plagued by interferences. Each aldehyde or ketone generates a blue color, but with a different reaction coefficient. It is, therefore, not possible to differentiate these compounds from a single test. By using surface-enhanced Raman spectroscopy, we demonstrate unique fingerprints for each reaction product, enabling aldehyde and ketone speciation. With the further addition of an isotopologue internal standard, we demonstrate aldehyde and ketone quantification at levels lower than those possible with colorimetric techniques. This method paves the way for a powerful and practical tool for analyzing these crucial chemical building blocks.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"438-446"},"PeriodicalIF":2.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142725116","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}

{"title":"Neurodevelopmental Process Monitoring of Cytosine Arabinoside-Exposed Neurons Using Raman Spectroscopy.","authors":"Kosuke Hashimoto, Hidetoshi Sato","doi":"10.1177/00037028241289147","DOIUrl":"10.1177/00037028241289147","url":null,"abstract":"<p><p>Raman spectroscopy is used to monitor the development of live neurons exposed to cytosine arabinoside (ara-C). Ara-C is widely used to culture neurons and exclude non-neuronal cells. In this study, Raman spectra obtained from neurons exposed to ara-C were plotted using an analytical model of neuronal development to evaluate the impact of ara-C on neuronal development. After two days of culturing, neurons were exposed to ara-C for 24 h at final concentrations of 0 (control), 5, and 25 μM. Principal component analysis (PCA) was performed to build an analytical model for evaluating neurodevelopmental disorders caused by ara-C treatment. We projected the Raman spectra obtained from ara-C-treated cells onto the control group dataset. The distribution of PC1 scores for neurons exposed to ara-C at a final concentration of 5 μM was not significantly different from that of the control group. In contrast, under a final concentration of 25 μM, the data population at 10 and 15 days of culturing overlapped significantly with that of neurons at 4 days of normal culturing. These results suggest that Raman spectroscopy can detect very small physiological alterations in the neurons even after a short-term exposure (24 h) of ara-C. Our analytical method has high potential to evaluate the developmental stages for living neurons under exposure to chemicals.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"396-403"},"PeriodicalIF":2.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142575007","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}

{"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":"<p><p>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.</p>","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}

{"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":"<p><p>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.</p>","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}

{"title":"Understanding and Employing (Non-)Linearities in Attenuated Total Reflection Spectroscopy.","authors":"Thomas G Mayerhöfer, Jürgen Popp","doi":"10.1177/00037028251317540","DOIUrl":"https://doi.org/10.1177/00037028251317540","url":null,"abstract":"<p><p>When Beer's law is interpreted through electromagnetic theory, it becomes clear that assuming a linear relationship between molar concentration and the imaginary part of the dielectric function is more accurate than using the absorption index function. A similar relationship holds true for attenuated total reflection (ATR) absorbance. When the negative logarithm of the reflectance is expanded into a series and truncated after the linear term, the approximation proves more accurate when based on the imaginary part of the dielectric function. Moreover, ATR correction schemes that utilize the low absorption approximation or the Bertie-Eysel formalism with this imaginary part, rather than the absorption index, tend to converge more quickly and provide more accurate results, particularly for stronger oscillators across an extended range of oscillator strength. Therefore, correction schemes for ATR spectra should prioritize the imaginary part of the dielectric function rather than the absorption index function when analyzing scalar and isotropic media.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028251317540"},"PeriodicalIF":2.2,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143405062","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}

{"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":"<p><p>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.</p>","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}