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Multiscale Convolutional Neural Network of Raman Spectra of Human Serum for Hepatitis B Disease DiagnosisA multiscale convolutional neural network (MsCNN) was used to screen Raman spectra of the hepatitis B serum, achieving higher classification accuracy compared to traditional machine learning methods.
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Effect of Tissue Optical Properties on the Fluorescence of BODIPY Derivative as a Photosensitizer for Photodynamic TherapyPhotodynamic therapy is widely used as an established biomedical optical modality for the conservative treatment of tumors. This work investigates laser-induced fluorescence spectroscopy of the emerging photodynamic photosensitizer BODIPY-520 in turbid media.
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Handheld Near-Infrared Spectrometers: Reality and Empty PromisesIn celebration of Spectroscopy’s 35th Anniversary, leading experts discuss important issues and challenges in analytical spectroscopy.
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Resolving Analytical Challenges in Pharmaceutical Process Monitoring Using Multivariate Analysis Methods: Applications in Process Understanding, Control, and ImprovementIn this review, we show a wide range of examples of the expanding use of multivariate analysis (MVA) in pharmaceutical manufacturing and control. MVA is being used to resolve numerous analytical challenges, such as overcoming matrix effects, extracting reliable data from dynamic matrices, and more.
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Stable Variable Selection Method and Comparison for Quantitative Analysis of Steels Using Laser-Induced Breakdown SpectroscopyIn this work, a stable variable selection method based on variable stability correction (VSC) and modified iterative predictor weighting-partial least squares (mIPW-PLS) is proposed for the quantitative analysis of steel samples by laser-induced breakdown spectroscopy (LIBS).
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Resolving Analytical Challenges in Pharmaceutical Process Monitoring Using Multivariate Analysis Methods: Applications in Process Understanding, Control, and ImprovementIn this review, we show a wide range of examples of the expanding use of multivariate analysis (MVA) in pharmaceutical manufacturing and control. MVA is being used to resolve numerous analytical challenges, such as overcoming matrix effects, extracting reliable data from dynamic matrices, and more.
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Chemical Vapor Generation Non-Dispersive Atomic Fluorescence Spectrometry Technique for the Determination of Arsenic, Antimony, Selenium, and Mercury in Geological Samples by One-Time DigestionIn this paper, a one-time digestion method for the determination of arsenic (As), antimony (Sb), selenium (Se), and mercury (Hg) in geological samples was established.
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Rapid Determination of the Peroxide Value of Edible Oil by Handheld NIR Spectroscopy in Combination with Wavelength Variables Selection and PLS CalibrationA PLS model was built with optimized wavelength variables generated by a competitive adaptive reweighted sampling (CARS) algorithm, enabling the use of handheld NIR spectroscopy to rapidly detect peroxide values in oil.
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Single-Cell Analysis by Inductively Coupled Plasma–Time-of-Flight Mass Spectrometry to Quantify Algal Cell Interaction with Nanoparticles by Their Elemental FingerprintThis method detects elements intrinsically present in cells, and because sc-ICP-TOF-MS measures a full mass spectrum, no analytes are missed.
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Analysis of Deposition Patterns and Influencing Factors of Lithium and Transition Metals Deposited on Lithium Ion Battery Graphitic Anodes by LA-ICP-MSA comprehensive understanding of aging phenomena and the resulting performance loss occurring in lithium-ion batteries (LIBs) is essential for ongoing improvement of the technology. The formation of a uniform solid electrolyte interphase (SEI) is of crucial importance for the performance, lifetime, and safety of LIBs. Transition metal dissolution (TMD), caused by degradation of the cathode, and subsequent TM deposition on the anode surface can deteriorate the protective properties of the SEI, possibly leading to reconstruction of the SEI and loss of active lithium. We explore this topic here.
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Flower Classification Using LIBS Combined with PCA ChemometricsIn this study, laser-induced breakdown spectroscopy (LIBS) was applied in conjunction with principal component analysis (PCA) to identify and classify flower species.
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Novel LC–MS/MS Method with a Dual ESI and APCI Ion Source for Analysis of California-Regulated Pesticides and Mycotoxins in Medium-Chain Triglyceride (MCT) Oil Cannabis TincturesAnalysis of 66 pesticides and 5 mycotoxins regulated by the State of California in cannabis tinctures were analyzed using LC–MS/MS with an ESI source, and LC–MS/MS with an APCI source. A simple, fast, and cheap acetonitrile solvent extraction method was used for sample preparation for good recovery and high throughput, and internal standards were used to compensate for ion suppression effects from the hydrophobic matrix.
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The Detection of Biomarkers and Cocaine in Fingernails Using Attenuated Total Reflectance Fourier Transform Infrared SpectroscopyATR-FT-IR spectroscopy can provide rapid and portable measurements in forensic applications, demonstrating its ability to rapidly detect biomarkers and the presence of cocaine in fingernails.
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Fluorescence Quenching Effects of Fe3+ Ions on Carbon DotsThe “selective fluorescence quenching effects” of Fe3+ ions on carbon dots are examined to gain a more comprehensive understanding of the interactions of metal ions with a variety of fluorescent materials.
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Cold-Hot Nature Identification of Chinese Medicine Based on an Ultraviolet Chemical FingerprintA model has been developed to predict the “cold” or “hot” nature of Chinese medicines based on UV spectral data.
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Determining Nitrophenol Isomers Using Raman SpectroscopyIn this study, the nitrophenol isomers, in solid and liquid phases, were analyzed using Raman spectroscopy, laying the groundwork for determining nitrophenol isomers in environmental monitoring with this technique.
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In-situ Detection of Rice Using Laser Induced Breakdown Spectroscopy and Machine LearningThis research investigates the application of laser-induced breakdown spectroscopy (LIBS) and machine learning (ML) for detecting elemental composition of food, using rice as an example.
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Imaging of Trace Elements Using Laser Ablation–Inductively Coupled Plasma–Mass Spectrometry: Emerging New ApplicationsMetallomics seeks to understand the metallobiochemistry of cells and organisms in health and disease. This article explains the principle of laser ablation–inductively coupled plasma–mass spectrometry (LA-ICP-MS) for imaging applications and highlights its potential to provide additional insights in bioanalysis and metallomics.
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Shedding Light on DNA Analysis: Multiplexed Detection and Identification Using Fluorescence Lifetime Methods (PDF)This article provides a review of using both time- and phase-resolved fluorescence for DNA analysis in both sequencing and microarray applications.
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Handheld FT-IR Spectrometers: Bringing the Spectrometer to the SampleThis article focuses on the emergence of handheld, portable FT-IR spectrometers and the implications with respect to applications and use.
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Ultralow Detection of Estrogenic Compounds by GC–NCI-MS-MSA number of clinical situations now call for high-sensitivity measurement of estrogens, including monitoring during female hormone replacement therapy, antiestrogen treatment, and estrogen deficiency in men. Traditional immunoassay methods and liquid chromatography–tandem mass spectrometry (LC–MS-MS) do not provide the sensitivity and selectivity required for these applications. In contrast, a gas chromatography–negative chemical ionization–tandem mass spectrometry (GC–NCI-MS-MS) platform can provide detection limits below 1 pg/mL when used in conjunction with the appropriate derivatization protocol, with very short cycle times.
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The Importance of Rigorous Instrument Calibration for Successful Sample Identification and Instrument-to-Instrument ReproducibilityOver the last few years, Raman has made the transition from a technique used solely in a research environment to one that is now seen as a powerful tool for routine analytical use. Raman spectroscopy now is used widely for sample identification in fields as diverse as forensics, QA/QC, art conservation, defect analysis, and failure analysis. This has imposed new demands on the technique for reproducibility and stability. Successful sample identification takes advantage of the extensive spectral libraries and sophisticated search algorithms that have been developed in recent years. However, in order to be able to cross-correlate experimental and library spectra with any degree of confidence, it is critical that the Raman spectrometers used to collect the spectra are calibrated rigorously. It is likewise critical for QC applications that spectra collected on one instrument can be compared reliably with spectra collected on other instruments and that results remain constant when collected over extended periods..
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Versatile Protein Identification Using AP-MALDI Ion Trap Mass Spectrometry (PDF)New developments in matrix-assisted laser desorption ionization (MALDI) technology enable decoupling of the ionization source from the time-of-flight mass analyzer for operation at atmospheric pressure (AP-MALDI). This technique also can be integrated with other types of mass analyzers, such as the ion trap.
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Comprehensive Analysis of Persistent Organic Pollutants in Complex Matrices 48 Using GC with High-Performance TOF-MSThe combination of GC with time-of-flight (TOF)-MS proves to be a successful approach for the challenging analysis of persistent organic pollutants in complex matrices such as sediment and fish samples.
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Multitargeting PesticidesThe usefulness of liquid chromatography–mass spectrometry–mass spectrometry (LC–MS-MS) methods for the unambiguous identification and quantification of pesticides in complex matrix samples is well known. Triple-quadrupole systems have proven to be useful for this task because of their high specificity in MS-MS mode and their low detection limits. However, working in MS-MS mode makes any MS system blind to other compounds of interest.
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The Benefits of ICP-MS for the Determination of Toxic and Nutritional Elements in the Cannabis Family of Flowering PlantsThe wide dynamic range of ICP-MS allows it to be used for the simultaneous determination of parts-per-billion levels of heavy metals including lead, arsenic, cadmium, and mercury, together with high parts-per-million levels of nutritional elements, such as phosphorus, calcium, potassium, and magnesium.
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Molecular Spectroscopy Workbench Applications of Mid-IR Spectroscopy to the Pharmaceutical Process Environment (PDF)This installment examines one of the key differences between the Near-IR and Mid-Range IR and highlights a couple of applications where Mid-IR can be effectively employed as a process analytical technology (PAT).
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Liquid Chromatography Coupled with Tandem Mass Spectrometry for Clinical ApplicationsThe authors discuss the emergence of liquid chromatography coupled with tandem mass spectrometry as a complementary method to traditional methodology used for clinical applications.
