Applied Spectroscopy最新文献

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Confocal Raman Microscopy for Measuring In Situ Temperature-Dependent Structural Changes in Poly(Ethylene Oxide) Thin Films. 用共聚焦拉曼显微镜测量聚环氧乙烷薄膜中温度相关的原位结构变化。
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2025-01-17 DOI: 10.1177/00037028241310904
Miharu Koh, Jay P Kitt, Andrew D Pendergast, Joel M Harris, Shelley D Minteer, Carol Korzeniewski
{"title":"Confocal Raman Microscopy for Measuring In Situ Temperature-Dependent Structural Changes in Poly(Ethylene Oxide) Thin Films.","authors":"Miharu Koh, Jay P Kitt, Andrew D Pendergast, Joel M Harris, Shelley D Minteer, Carol Korzeniewski","doi":"10.1177/00037028241310904","DOIUrl":"10.1177/00037028241310904","url":null,"abstract":"<p><p>Crystallization from the melt is a critical process governing the properties of semi-crystalline polymeric materials. While structural analyses of melting and crystallization transitions in bulk polymers have been widely reported, in contrast, those in thin polymer films on solid supports have been underexplored. Herein, in situ Raman microscopy and self-modeling curve resolution (SMCR) analysis are applied to investigate the temperature-dependent structural changes in poly(ethylene oxide) (PEO) films during melting and crystallization phase transitions. By resolving complex overlapping sets of spectra, SMCR analysis reveals that the thermal transitions of 50 µm thick PEO films comprise two structural phases: an ordered crystalline phase and a disordered amorphous phase. The ordered structure of the crystalline PEO film entirely disappears as the polymer is heated; conversely, the disordered structure of the amorphous PEO film reverts to the ordered structure as the polymer is cooled. Broadening of the Raman bands was observed in PEO films above the melting temperature (67 °C), while sharpening of bands was observed below the crystallization temperature (45 °C). The temperatures at which these spectral changes occurred were in good agreement with differential scanning calorimetry (DSC) measurements, especially during the melting transition. The results illustrate that in situ Raman microscopy coupled with SMCR analysis is a powerful approach for unraveling complex structural changes in thin polymer films during melting and crystallization processes. Furthermore, we show that confocal Raman microscopy opens opportunities to apply the methodology to interrogate the structural features of PEO or other surface-supported polymer films as thin as 2 µm, a thickness regime beyond the reach of conventional thermal analysis techniques.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241310904"},"PeriodicalIF":2.2,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142998925","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
Dual-Gas Sensor Employing Wavelength-Stabilized Tunable Diode Laser Absorption Spectroscopy and H-Infinity Filtering Algorithm. 采用波长稳定可调谐二极管激光吸收光谱和h-∞滤波算法的双气体传感器。
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2025-01-10 DOI: 10.1177/00037028241310463
Dingli Xu, Qiannan Cai, Gang Zhang, Qiang Ge, Linguang Xu
{"title":"Dual-Gas Sensor Employing Wavelength-Stabilized Tunable Diode Laser Absorption Spectroscopy and H-Infinity Filtering Algorithm.","authors":"Dingli Xu, Qiannan Cai, Gang Zhang, Qiang Ge, Linguang Xu","doi":"10.1177/00037028241310463","DOIUrl":"https://doi.org/10.1177/00037028241310463","url":null,"abstract":"<p><p>A compact dual-gas sensor based on the two near-infrared distributed feedback diode lasers and a multipass cell has been established for the simultaneous measurement of methane (CH<sub>4</sub>) and acetylene (C<sub>2</sub>H<sub>2</sub>). The time division multiplexing calibration-free direct absorption spectroscopy is used to eliminate the cross interference in the application of multicomponent gas sensors. A wavelength stabilization technique based on the proportion integration differentiation feedback control is developed to suppress laser wavelength drift and an H-infinity (H<sub>∞</sub>) filter algorithm to reduce the system noise. The results show that the detection sensitivity of CH<sub>4</sub> and C<sub>2</sub>H<sub>2</sub> reaches 39.9 parts per billion (ppb) and 47.3 ppb in the optimal integration time of 556 s and 312 s, respectively. In addition, the 31 consecutive hours measured results of CH<sub>4</sub> in outdoor ambient air show that the proposed detection technology is very suitable for high-precision in-situ measurement of trace gases.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241310463"},"PeriodicalIF":2.2,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142943365","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
Near Real-Time Measurement of Airborne Carbon Nanotubes with Metals Using Raman-Spark Emission Spectroscopy. 基于拉曼火花发射光谱的机载金属碳纳米管近实时测量。
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2025-01-08 DOI: 10.1177/00037028241307258
Lina Zheng, Jialin Li, Jing Huang, Wenting Feng, Yuhan Zhan, Dou Liu
{"title":"Near Real-Time Measurement of Airborne Carbon Nanotubes with Metals Using Raman-Spark Emission Spectroscopy.","authors":"Lina Zheng, Jialin Li, Jing Huang, Wenting Feng, Yuhan Zhan, Dou Liu","doi":"10.1177/00037028241307258","DOIUrl":"https://doi.org/10.1177/00037028241307258","url":null,"abstract":"<p><p>We present a near real-time measurement method that combines Raman and spark emission spectroscopy to quantitatively analyze the molecular structure of airborne single-walled carbon nanotubes (SWCNTs) and multi-walled carbon nanotubes (MWCNTs), as well as detect toxic metals within CNTs. A corona-based aerosol microconcentrator was used for airborne CNTs sampling to enhance the measurement accuracy and sensitivity. The intensity of the characteristic Raman bands of CNTs and atomic emission lines of metals exhibited a linear relationship with the analyte mass, yielding high coefficient <i>R</i><sup>2</sup> values. By carefully selecting appropriate signal peaks for calibration, we achieved a limit of detection (LOD) in terms of air concentration as low as 0.09 μg/m<sup>3</sup> for SWCNT and 0.81 μg/m<sup>3</sup> for MWCNT with a sampling time of 10 min. Additionally, our method exhibited excellent performance in measuring metals, with a mass LOD of 0.8-0.9 ng for Co and Ni and a mass LOD of 35.09 ng for Fe. The method performed well for the measurement of CNT and relevant metal composition with advantages of near real-time monitoring, low LOD, and portable use, making it a valuable tool for various applications in nanomaterial analysis.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241307258"},"PeriodicalIF":2.2,"publicationDate":"2025-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142943366","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
Focusing Effects on Laser-Induced Plasma Parameters: Applications to a Graphite Target Under Martian Atmospheric Conditions. 激光诱导等离子体参数的聚焦效应:在火星大气条件下石墨靶的应用。
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2025-01-02 DOI: 10.1177/00037028241307675
Kouider Benbaier, Ahmed Abdelmalek, Zeyneb Bedrane, Noureddine Melikechi
{"title":"Focusing Effects on Laser-Induced Plasma Parameters: Applications to a Graphite Target Under Martian Atmospheric Conditions.","authors":"Kouider Benbaier, Ahmed Abdelmalek, Zeyneb Bedrane, Noureddine Melikechi","doi":"10.1177/00037028241307675","DOIUrl":"https://doi.org/10.1177/00037028241307675","url":null,"abstract":"<p><p>Under various atmospheric conditions, laser-induced breakdown spectroscopy (LIBS) is a powerful technique for elemental analysis, including in Earth- and Mars-like environments. However, understanding the plasma behavior and its dependence on ambient pressure and laser parameters remains a challenge. In this study, a numerical model based on a three-temperature Eulerian radiation framework under non-local thermodynamic equilibrium conditions is employed to investigate the interaction of a nanosecond laser pulse with a graphite target under helium (He) and carbon dioxide (CO<sub>2</sub> atmospheres. The aim is to provide insights into the effects of focusing conditions and ambient pressure (3 to 9 mbar and 1000 mbar) on plasma parameters relevant to both Earth- and Mars-like settings. Our results show that increased ambient pressure significantly enhances electron and ion densities, while the focusing conditions influence the temperature and fluid velocity of plasma species, as well as the spatial distribution and intensity of the plasma, ultimately affecting its diagnostic potential. These findings are critical for optimizing LIBS applications in planetary exploration and contribute to improving quantitative analyses under varying atmospheric compositions.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241307675"},"PeriodicalIF":2.2,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142920652","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
Cavity Ring-Down Spectroscopy Performance and Procedures for High-Throughput δ18O and δ2H Measurement in Water Using "Express" Mode. 使用“Express”模式对水中δ18O和δ2H进行高通量测量的腔衰荡光谱性能和方法
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2025-01-02 DOI: 10.1177/00037028241302355
Nir Galili, Thomas M Blattmann, Anna Somlyay, Nora Gallarotti, Timothy I Eglinton, Jordon D Hemingway
{"title":"<ArticleTitle xmlns:ns0=\"http://www.w3.org/1998/Math/MathML\">Cavity Ring-Down Spectroscopy Performance and Procedures for High-Throughput <ns0:math><ns0:msup><ns0:mi>δ</ns0:mi><ns0:mn>18</ns0:mn></ns0:msup></ns0:math>O and <ns0:math><ns0:msup><ns0:mi>δ</ns0:mi><ns0:mn>2</ns0:mn></ns0:msup></ns0:math>H Measurement in Water Using \"Express\" Mode.","authors":"Nir Galili, Thomas M Blattmann, Anna Somlyay, Nora Gallarotti, Timothy I Eglinton, Jordon D Hemingway","doi":"10.1177/00037028241302355","DOIUrl":"https://doi.org/10.1177/00037028241302355","url":null,"abstract":"<p><p>Cavity ring-down spectroscopy (CRDS) is rapidly becoming an invaluable tool to measure hydrogen (δ²H) and oxygen (δ<sup>18</sup>O) isotopic compositions in water, yet the long-term accuracy and precision of this technique remain relatively underreported. Here, we critically evaluate one-year performance of CRDS δ²H and δ<sup>18</sup>O measurements at ETH Zurich, focusing on high throughput (~200 samples per week) while maintaining required precision and accuracy for diverse scientific investigations. We detail a comprehensive methodological and calibration strategy to optimize CRDS reliability for continuous, high-throughput analysis using Picarro's \"Express\" mode, an area not extensively explored previously. Using this strategy, we demonstrate that CRDS achieves long-term precision better than ±0.5‰ for δ<sup>18</sup>O and ±1.0‰ for δ²H (±1σ) on three United States Geological Survey (USGS) reference materials treated as unknowns.<sup>18</sup> Specifically, reported results for each reference material over this one-year period are: (i) USGS W-67444: <math><msup><mi>δ</mi><mn>2</mn></msup></math>H = <math><mrow><mo>-</mo><mn>399.32</mn><mo>±</mo><mn>0.96</mn></mrow><mtext>‰</mtext></math>, <math><msup><mi>δ</mi><mn>18</mn></msup></math>O = <math><mrow><mo>-</mo><mn>51.07</mn><mo>±</mo><mn>0.45</mn></mrow><mtext>‰</mtext></math> (<math><mi>n</mi><mo>=</mo><mn>30</mn></math>), (ii) USGS W-67400: <math><msup><mi>δ</mi><mn>2</mn></msup></math>H = <math><mrow><mn>2.55</mn><mo>±</mo><mn>0.49</mn></mrow><mtext>‰</mtext></math>, <math><msup><mi>δ</mi><mn>18</mn></msup></math>O = <math><mrow><mo>-</mo><mn>1.85</mn><mo>±</mo><mn>0.13</mn></mrow><mtext>‰</mtext></math> (<math><mi>n</mi><mo>=</mo><mn>140</mn></math>), and (iii) USGS-50: <math><msup><mi>δ</mi><mn>2</mn></msup></math>H = <math><mrow><mn>33.68</mn><mo>±</mo><mn>0.91</mn></mrow><mtext>‰</mtext></math>, <math><msup><mi>δ</mi><mn>18</mn></msup></math>O = <math><mrow><mn>5.03</mn><mo>±</mo><mn>0.04</mn></mrow><mtext>‰</mtext></math> (<math><mi>n</mi><mo>=</mo><mn>21</mn></math>). We also address challenges such as aligning our analytical uncertainties with the narrower uncertainties of International Atomic Energy Agency reference materials, and mitigating inherent CRDS issues like memory and matrix effects when analyzing environmental samples. Our review provides a practical framework for CRDS applications in hydrology, paleoclimatology, and biogeochemistry, underscoring the importance of continuous evaluation and methodological refinement to ensure accuracy and precision in δ²H and δ<sup>18</sup>O analyses.<sup>18</sup>.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241302355"},"PeriodicalIF":2.2,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142920651","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
Optical and Dielectrical Properties of Opal Water Content Determination Using Terahertz Time-Domain Spectroscopy. 太赫兹时域光谱法测定蛋白石含水量的光学和介电性质。
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2024-12-26 DOI: 10.1177/00037028241306456
ChuTong Gao, Kexin Pan, ZhiYuan Zheng, Ren Huang, Tong Zhang, Lixian Hao, MingRui Zhang, Qiming Qiu, Shanshan Li, HaoChong Huang, Kunfeng Qiu
{"title":"Optical and Dielectrical Properties of Opal Water Content Determination Using Terahertz Time-Domain Spectroscopy.","authors":"ChuTong Gao, Kexin Pan, ZhiYuan Zheng, Ren Huang, Tong Zhang, Lixian Hao, MingRui Zhang, Qiming Qiu, Shanshan Li, HaoChong Huang, Kunfeng Qiu","doi":"10.1177/00037028241306456","DOIUrl":"https://doi.org/10.1177/00037028241306456","url":null,"abstract":"<p><p>The optical and dielectric properties of opals with different water contents were investigated using terahertz time-domain spectroscopy. The refractive indices and absorption coefficients showed different trends due to the different water contents. The effective medium theory was used to extract the intrinsic dielectric permittivity of opal from opal-polytetrafluoroethylene mixtures. The extracted dielectric permittivities were fitted using a double Debye model to analyze the microscopic relaxation mechanism.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241306456"},"PeriodicalIF":2.2,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142891709","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
Characterizing Variability in Non-Invasive Hydration Monitoring Using Raman Spectroscopy. 利用拉曼光谱表征无创水合监测的可变性。
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2024-12-26 DOI: 10.1177/00037028241307043
Anna S Rourke-Funderburg, Laura J Elstub, Trevor Voss, Richard L Liao, Laura E Masson, Anita Mahadevan-Jansen
{"title":"Characterizing Variability in Non-Invasive Hydration Monitoring Using Raman Spectroscopy.","authors":"Anna S Rourke-Funderburg, Laura J Elstub, Trevor Voss, Richard L Liao, Laura E Masson, Anita Mahadevan-Jansen","doi":"10.1177/00037028241307043","DOIUrl":"https://doi.org/10.1177/00037028241307043","url":null,"abstract":"<p><p>Significant dehydration can increase thermoregulatory and cardiovascular strain and impair physical and cognitive performance. Despite these negative effects, there are currently no objective, non-invasive tools to monitor systemic hydration. Raman spectroscopy is an optical modality with the potential to fill this gap because it is sensitive to water, provides results quickly, and can be applied non-invasively. In this work, high wavenumber Raman spectroscopy has been developed toward detection of systemic hydration via validation with tissue-mimicking phantoms, followed by three in vivo feasibility studies to investigate the relationship between spectral features and systemic hydration. The area under the curve (AUC) of the water bands and the ratio of water bands to CH bands are Raman-derived metrics that can be used to describe systemic hydration. Here, we determined a trend in decreasing water bands AUC after exercise, although the magnitude of the change was highly variable. In investigating the sources of variability, we identified significant inter-subject variability and a failure of current clinical standards to benchmark our developed technique against. Despite the high variability, we found that multiple anatomical locations were suitable for collecting the spectral measurements. While the high degree of variability may confound the use of Raman spectroscopy for non-invasive hydration monitoring, when implementing additional study standardization, significant differences (<i>p</i> <.05) in spectral metrics can be identified before and after exercise. Raman spectroscopy can allow for rapid, non-invasive detection of systemic hydration, which would improve routine hydration monitoring and reduce the incidence of negative side effects associated with dehydration.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241307043"},"PeriodicalIF":2.2,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142891707","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
Prediction of Olivine Composition Under Limited Calibration Inputs: Comparative Study of Mid-Infrared Reflection, Raman Scattering, and Laser-Induced Plasma Spectroscopies. 有限校准输入下橄榄石成分的预测:中红外反射、拉曼散射和激光诱导等离子体光谱的比较研究。
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2024-12-26 DOI: 10.1177/00037028241305162
Sergey G Pavlov, Iris Weber, Ute Böttger, Ulrich Schade, Jörg Fritz
{"title":"Prediction of Olivine Composition Under Limited Calibration Inputs: Comparative Study of Mid-Infrared Reflection, Raman Scattering, and Laser-Induced Plasma Spectroscopies.","authors":"Sergey G Pavlov, Iris Weber, Ute Böttger, Ulrich Schade, Jörg Fritz","doi":"10.1177/00037028241305162","DOIUrl":"https://doi.org/10.1177/00037028241305162","url":null,"abstract":"<p><p>In situ optical analytical spectroscopies offer great geochemical insights due to their capability to resolve the chemical composition of regolith surfaces of rocky celestial bodies. The use of suitable calibration targets improves the precision of mineral determination, which is of critical importance for short-living, low-mobility landers, and enables, in special cases, determination of elemental composition. We investigate the capabilities of three space-relevant optical analytical techniques used for in situ mineralogical analysis, i.e., mid-infrared reflection, Raman light scattering, and laser-induced plasma spectroscopies, to predict the chemical composition of olivine under a limited calibration input, namely using two bulk samples of natural olivine, chemically close to the end-members of the mineral group. We determine the accuracy of the forsterite numbers obtained with each technique and discuss the choice of calibration methods applicable to limited in situ calibration input, which are summarized in recommendations for space instrumentation.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241305162"},"PeriodicalIF":2.2,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142891710","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
Acute Leukemia Diagnosis Through AI-Enhanced Attenuated Total Reflection Fourier Transform Infrared Spectroscopy of Peripheral Blood Smears. 外周血涂片人工智能增强衰减全反射傅立叶变换红外光谱诊断急性白血病。
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2024-12-26 DOI: 10.1177/00037028241303526
Michael Lee, Charles Eryll Sy, Flordeluna Mesina, Priscilla Caguioa, Ma Rosario Irene Castillo, Ruth Bangaoil, Jeanny Punay, Mariella Cielo Cobarrubias, Rock Christian Tomas, Pia Marie Albano
{"title":"Acute Leukemia Diagnosis Through AI-Enhanced Attenuated Total Reflection Fourier Transform Infrared Spectroscopy of Peripheral Blood Smears.","authors":"Michael Lee, Charles Eryll Sy, Flordeluna Mesina, Priscilla Caguioa, Ma Rosario Irene Castillo, Ruth Bangaoil, Jeanny Punay, Mariella Cielo Cobarrubias, Rock Christian Tomas, Pia Marie Albano","doi":"10.1177/00037028241303526","DOIUrl":"https://doi.org/10.1177/00037028241303526","url":null,"abstract":"<p><p>Acute leukemia, a highly perilous cancer, is diagnosed using invasive procedures like bone marrow aspirate and biopsy (BMA/BMB). This study investigated the use of artificial intelligence (AI)-enhanced Fourier transform infrared (FT-IR) spectroscopy as a non-invasive, reagent-free diagnostic alternative with high sensitivity and specificity. The spectral peak patterns of peripheral blood smears (PBS) from clinically healthy individuals (<i>n</i> = 50) BMA/BMB-confirmed acute leukemia patients (<i>n</i> = 50) were examined in the 1800-850 cm<sup>-1</sup> range. Six trained models were used to assess the diagnostic performance, focusing on accuracy, positive predictive value (PPV), negative predictive value (NPV), F<sub>1</sub> score, and area under the receiver operating characteristic (ROC) curve (AUC). The study shows significantly lower absorbance peaks in leukemia cases compared to healthy controls across various spectral regions: 1637.82, 1528.63, 1448.29, and 1388.54 cm<sup>-1</sup>, 1302.02, and 1240.21 cm<sup>-1</sup>, and 1163.99 cm<sup>-1</sup>. These differences indicate decreased concentrations or distinct molecular configurations of proteins, lipids, nucleic acids, and carbohydrates in cases. Conversely, they exhibited elevated absorbance peaks at 1032.14 and 894.11 cm<sup>-1</sup> regions, suggesting potential disparities in amino acid, DNA, fatty acid, and saccharide residues compared to healthy controls. Of the six trained models, the SVM model demonstrated remarkable diagnostic performance, achieving an accuracy of 83%, a PPV of 80%, an NPV of 86%, an F<sub>1</sub> score of 82.47%, and an AUC of 90.76%. This study demonstrates the potential of AI-enhanced FT-IR spectroscopy as a valuable adjunct diagnostic tool for acute leukemia. By offering a less invasive and faster alternative to BMA/BMB, this approach can potentially enhance leukemia diagnosis and improve patient outcomes, particularly in pediatric and geriatric cases.</p>","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028241303526"},"PeriodicalIF":2.2,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142891706","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
Influence of Different Measuring Backgrounds on the Classification of Multilayer Polyolefin Films Using a Near-Infrared Handheld Spectrometer. 不同测量背景对近红外手持式光谱仪多层聚烯烃薄膜分类的影响
IF 2.2 3区 化学
Applied Spectroscopy Pub Date : 2024-12-26 DOI: 10.1177/00037028241307034
Hana Stipanovic, Patrick Arth, Gerald Koinig, Nikolai Kuhn, Jakob Lederer, Dominik Blasenbauer, Anna-Maria Lipp, Alexia Tischberger-Aldrian
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