Applied Spectroscopy最新文献_第8页

Using Label-Free Raman Spectroscopy Integrated with Microfluidic Chips to Probe Ferroptosis Networks in Cells. 利用与微流控芯片集成的无标记拉曼光谱技术探测细胞中的铁突变网络

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-07-01 Epub Date: 2024-11-11 DOI: 10.1177/00037028241292087

Muhammad Muhammad, Chang-Sheng Shao, Raziq Nawaz, Amil Aligayev, Muhammad Hassan, Mona Alrasheed Bashir, Jamshed Iqbal, Jie Zhan, Qing Huang

{"title":"Using Label-Free Raman Spectroscopy Integrated with Microfluidic Chips to Probe Ferroptosis Networks in Cells.","authors":"Muhammad Muhammad, Chang-Sheng Shao, Raziq Nawaz, Amil Aligayev, Muhammad Hassan, Mona Alrasheed Bashir, Jamshed Iqbal, Jie Zhan, Qing Huang","doi":"10.1177/00037028241292087","DOIUrl":"10.1177/00037028241292087","url":null,"abstract":"Ferroptosis, a regulated form of cell death driven by oxidative stress and lipid peroxidation, has emerged as a pivotal research focus with implications across various cellular contexts. In this study, we employed a multifaceted approach, integrating label-free Raman spectroscopy and microfluidics to study the mechanisms underpinning ferroptosis. Our investigations included the ferroptosis initiation based on the changes in the lipid Raman band at 1436 cm-1 under different cellular states, the generation of reactive oxygen species (ROS), lipid peroxidation, DNA damage/repair, and mitochondrial dysfunction. Importantly, our work highlighted the dynamic role of vital cellular components, such as nicotinamide adenine dinucleotide phosphate hydrogen (NADPH), ferredoxin clusters, and other key factors such as glutathione peroxidase 4 and nuclear factor erythroid 2, which collectively influenced cellular responses to redox imbalance and oxidative stress. Quantum mechanical (QM) and molecular docking simulations (MD) provided further evidence of interactions between the ferredoxin (containing 4Fe-4S clusters), NADPH, and ROS, which led to the production of reactive Fe species in the cells. As such, our approach not only offered a real-time, multidimensional perspective on ferroptosis but also provided valuable methods and insights for therapeutic interventions in diverse biomedical contexts.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"1035-1046"},"PeriodicalIF":2.2,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142613927","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

Classification of Waxy Maize Kernels Using Single Kernel Near-Infrared Reflectance Spectroscopy. 利用单粒近红外光谱对糯玉米籽粒进行分类。

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-06-30 DOI: 10.1177/00037028251349556

Shelly Kinney, Tae-Chun Park, Hannah Clubb, Paul Armstrong, Thomas Lübberstedt, M Paul Scott

{"title":"Classification of Waxy Maize Kernels Using Single Kernel Near-Infrared Reflectance Spectroscopy.","authors":"Shelly Kinney, Tae-Chun Park, Hannah Clubb, Paul Armstrong, Thomas Lübberstedt, M Paul Scott","doi":"10.1177/00037028251349556","DOIUrl":"https://doi.org/10.1177/00037028251349556","url":null,"abstract":"The waxy gene of maize is a high value breeding target, but it is time consuming to separate waxy and wild-type kernels. A common method involves staining the endosperm with iodine. Near-infrared reflectance (NIR) spectroscopy has been used in several species including maize with success. A custom-built single kernel NIR spectroscopy instrument was used to scan 2880 individual kernels from 60 samples with a diversity of pedigrees, with both waxy, wild type, and heterozygous kernels represented. Chemical analysis was performed to classify the kernels with the waxy or wild type phenotypes. Linear discriminant analysis (LDA) was conducted to develop a prediction equation for single kernel NIR spectroscopy. The discriminant results showed that there was an 88% accuracy in predicting waxy kernels as waxy, and a 96% accuracy in predicting wild type kernels as wild type. A receiver operating characteristic (ROC) curve was determined to allow threshold adjustment to meet desired true positive or false negative rates. Thus, the prediction equation can be used in breeding programs to select for waxy kernels in an efficient and effective manner using a single kernel NIR instrument. This approach will benefit breeders of waxy corn by providing a rapid, automated non-destructive method for identification of waxy kernels in segregating breeding populations.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028251349556"},"PeriodicalIF":2.2,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144526203","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

Surface-Bulk Correlation Spectroscopy for the Characterization of Ternary Adsorption. 表征三元吸附的表面-体相关光谱。

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-06-30 DOI: 10.1177/00037028251350675

Mahsa Torkamanasadi, Dennis K Hore

引用次数: 0

A ²⁴¹Am Radioisotope-Excited Spectrometer for K-Line X-ray Fluorescence (XRF) Analysis of Rare Earth Elements. 用于稀土元素k线x射线荧光（XRF）分析的241Am放射性同位素激发光谱仪。

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-06-27 DOI: 10.1177/00037028251348483

Sanber Vizcaya, Manuel Gutierrez, Eduardo D Greaves

引用次数: 0

Leveraging Hydrogen Bond-Induced Peak Shifting to Determine Alcohol Concentration in Suspect Gel Hand Sanitizers Using Portable Infrared and Handheld Raman Spectrometers. 利用氢键诱导的峰移来确定可疑凝胶洗手液中的酒精浓度使用便携式红外和手持式拉曼光谱仪。

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-06-26 DOI: 10.1177/00037028251345820

Hannah LaRoy, Michael Thatcher, Lisa Lorenz, Martin Kimani, Merrie Jackson, Adam Lanzarotta

{"title":"Leveraging Hydrogen Bond-Induced Peak Shifting to Determine Alcohol Concentration in Suspect Gel Hand Sanitizers Using Portable Infrared and Handheld Raman Spectrometers.","authors":"Hannah LaRoy, Michael Thatcher, Lisa Lorenz, Martin Kimani, Merrie Jackson, Adam Lanzarotta","doi":"10.1177/00037028251345820","DOIUrl":"https://doi.org/10.1177/00037028251345820","url":null,"abstract":"This study assessed the feasibility of using portable infrared and handheld Raman devices for the rapid screening of alcohol-based gel hand sanitizers to detect potential adulteration or misbranding. Alcohol potency was estimated by analyzing the concentration-dependent hydrogen bond-induced peak shifting characteristic of alcohol-water mixtures. Specifically, alcohol concentration in water (v/v%) was plotted as a function of the ratio of two characteristic peak positions affected by this shifting, yielding linear responses between 30%-100% for infrared spectroscopy and 40%-100% for Raman spectroscopy. Calibration equations derived from these curves were applied to estimate alcohol concentration, resulting in average errors (± standard deviations) of 1.6% (1.2%) for infrared spectroscopy and 2.4% (1.7%) for Raman spectroscopy, compared to gas chromatography with flame ionization detection (GC-FID). A total of 24 products were analyzed using this screening workflow, with results used to prioritize samples for further analysis via official compendial methods. All 21 samples identified as violative or presumptively violative by the rapid screening devices were confirmed as violative using GC-FID, while all three samples classified as presumptively non-violative were confirmed as non-violative. This method may be suitable for field deployment at locations such as mail facilities, points of entry, and express courier hubs, where expedited screening of these products is beneficial. Its implementation could enhance regulatory enforcement efforts and support consumer safety by identifying non-compliant products more efficiently.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028251345820"},"PeriodicalIF":2.2,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144493782","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

Quantitative Chemometrics Using Refractive Index Spectra. 使用折射率光谱的定量化学计量学。

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-06-26 DOI: 10.1177/00037028251345774

Thomas G Mayerhöfer, Oleksii Ilchenko, Andrii Kutsyk, Jürgen Popp

引用次数: 0

In-Line Raman Spectroscopy for Polymorph Monitoring During Continuous Crystallization. 连续结晶过程中多晶监测的在线拉曼光谱。

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-06-18 DOI: 10.1177/00037028251344294

Sreya Sarkar, Andreas Stumpf, Zhenqi Shi, Dawen Kou

{"title":"In-Line Raman Spectroscopy for Polymorph Monitoring During Continuous Crystallization.","authors":"Sreya Sarkar, Andreas Stumpf, Zhenqi Shi, Dawen Kou","doi":"10.1177/00037028251344294","DOIUrl":"https://doi.org/10.1177/00037028251344294","url":null,"abstract":"In-line monitoring of continuous crystallization processes can provide real-time information about the polymorph composition, potentially providing a superior understanding and control of the crystallization kinetics throughout the process. Here, we present a case study using in-line Raman spectroscopy as a process analytical technology (PAT) tool to enable fast, in-situ, non-destructive, and quantitative measurement of complex polymorphic transitions during flow-induced continuous crystallization of a model compound, which has two main polymorphs only showing subtle differences in the fingerprint regions of their Raman spectra. Second derivative Raman spectra were used for qualitative monitoring of polymorph changes, and a Gaussian curve fitting method was developed and utilized for quantitative determinations of polymorph compositions in continuous crystallizations under an array of process conditions. This study illustrates the complex and dynamic nature of polymorph transitions during continuous crystallization under various process conditions as well as the ability of in-line Raman spectroscopy to monitor the process qualitatively and quantitatively in order to have greater understanding of the process design space and to avoid conditions that lead to undesired polymorphs in the crystallization process.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028251344294"},"PeriodicalIF":2.2,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144315835","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

Deadliest Animals with the Thinnest Wings: Near-Infrared Properties of Tropical Mosquitoes. 最致命的动物与最薄的翅膀：热带蚊子的近红外特性。

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-06-12 DOI: 10.1177/00037028251341317

Meng Li, Hampus Månefjord, Julio Hernandez, Lauro Müller, Christian Brackmann, Aboma Merdasa, Carsten Kirkeby, Mengistu Dawit Bulo, Rickard Ignell, Mikkel Brydegaard

{"title":"Deadliest Animals with the Thinnest Wings: Near-Infrared Properties of Tropical Mosquitoes.","authors":"Meng Li, Hampus Månefjord, Julio Hernandez, Lauro Müller, Christian Brackmann, Aboma Merdasa, Carsten Kirkeby, Mengistu Dawit Bulo, Rickard Ignell, Mikkel Brydegaard","doi":"10.1177/00037028251341317","DOIUrl":"https://doi.org/10.1177/00037028251341317","url":null,"abstract":"Tropical mosquitoes transmit diseases like malaria, yellow fever, and Zika. Classifying mosquitoes by species, sex, age, and gravidity offers vital insights for assessing transmission risk and effective mitigations. Photonic monitoring for mosquito classification can be used in distributed sensors or lidars on longer ranges. However, a reflectance model and its parameters are lacking in the current literature. This study investigates mosquitoes of different species, sexes, age groups, and gravidity states, and reports metric pathlengths of wing chitin, body melanin, and water. We use hyperspectral push-broom imaging and laser multiplexing with a rotation stage to measure near-infrared spectra from different angles and develop simple models for spectral reflectance, including wing thickness and equivalent absorption path lengths for melanin and water. We demonstrate wing thickness of 174 (±1) nm - the thinnest wings reported to our knowledge. Water and melanin pathlengths are determined with ∼10 µm precision, and spectral models achieve adjusted R² values exceeding 95%. While mosquito aspect angle impacts the optical cross-section, it alters shortwave infrared spectra minimally (∼2%). These results demonstrate the potential for remote retrieval of micro- and nanoscopic mosquito features using spectral sensors and lidars irrespective of insect body orientation. Improved specificity of vector monitoring can be foreseen.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"37028251341317"},"PeriodicalIF":2.2,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144274105","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 : 2025-06-01 Epub 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

引用次数: 0

Redefining Spectral Data Analysis with Immersive Analytics: Exploring Domain-Shifted Model Spaces for Optimal Model Selection. 用沉浸式分析重新定义频谱数据分析：探索领域偏移模型空间，优化模型选择。

IF 2.2 3区化学

Applied Spectroscopy Pub Date : 2025-06-01 Epub Date: 2024-09-28 DOI: 10.1177/00037028241280669

Jordan M J Peper, John H Kalivas

{"title":"Redefining Spectral Data Analysis with Immersive Analytics: Exploring Domain-Shifted Model Spaces for Optimal Model Selection.","authors":"Jordan M J Peper, John H Kalivas","doi":"10.1177/00037028241280669","DOIUrl":"10.1177/00037028241280669","url":null,"abstract":"Modern developments in autonomous chemometric machine learning technology strive to relinquish the need for human intervention. However, such algorithms developed and used in chemometric multivariate calibration and classification applications exclude crucial expert insight when difficult and safety-critical analysis situations arise, e.g., spectral-based medical decisions such as noninvasively determining if a biopsy is cancerous. The prediction accuracy and interpolation capabilities of autonomous methods for new samples depend on the quality and scope of their training (calibration) data. Specifically, analysis patterns within target data not captured by the training data will produce undesirable outcomes. Alternatively, using an immersive analytic approach allows insertion of human expert judgment at key machine learning algorithm junctures forming a sensemaking process performed in cooperation with a computer. The capacity of immersive virtual reality (IVR) environments to render human comprehensible three-dimensional space simulating real-world encounters, suggests its suitability as a hybrid immersive human-computer interface for data analysis tasks. Using IVR maximizes human senses to capitalize on our instinctual perception of the physical environment, thereby leveraging our innate ability to recognize patterns and visualize thresholds crucial to reducing erroneous outcomes. In this first use of IVR as an immersive analytic tool for spectral data, we examine an integrated IVR real-time model selection algorithm for a recent model updating method that adapts a model from the original calibration domain to predict samples from shifted target domains. Using near-infrared data, analyte prediction errors from IVR-selected models are reduced compared to errors using an established autonomous model selection approach. Results demonstrate the viability of IVR as a human data analysis interface for spectral data analysis including classification problems.","PeriodicalId":8253,"journal":{"name":"Applied Spectroscopy","volume":" ","pages":"942-954"},"PeriodicalIF":2.2,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142340056","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