Analytical Chemistry最新文献

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Network Flow Methods for NMR-Based Compound Identification
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-02-25 DOI: 10.1021/acs.analchem.4c01652
Leonhard Lücken, Nico Mitschke, Thorsten Dittmar, Bernd Blasius
{"title":"Network Flow Methods for NMR-Based Compound Identification","authors":"Leonhard Lücken, Nico Mitschke, Thorsten Dittmar, Bernd Blasius","doi":"10.1021/acs.analchem.4c01652","DOIUrl":"https://doi.org/10.1021/acs.analchem.4c01652","url":null,"abstract":"In this work, we introduce a novel method for compound identification in mixtures based on nuclear magnetic resonance spectra. Contrary to many other methods, our approach can be used without peak-picking the mixture spectrum and simultaneously optimizes the fit of all individual compound spectra in a given library. At the core of the method, a minimum cost flow problem is solved on a network consisting of nodes that represent spectral peaks of the library compounds and the mixture. We show that our approach can outperform other popular algorithms by applying it to a standard compound identification task for 2D <sup>1</sup>H,<sup>13</sup>C HSQC spectra of artificial mixtures and a natural sample using a library of 501 compounds. Moreover, our method retrieves individual compound concentrations with at least semiquantitative accuracy for artificial mixtures with up to 34 compounds. A software implementation of the minimum cost flow method is available on GitHub (https://github.com/GeoMetabolomics-ICBM/mcfNMR).","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"3 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143486566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Ground-Based Remote Sensing and Machine Learning for in Situ and Noninvasive Monitoring and Identification of Salts and Moisture in Historic Buildings
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-02-25 DOI: 10.1021/acs.analchem.4c05581
Sotiria Kogou, Yu Li, C. S. Cheung, X. N. Han, Florence Liggins, Golnaz Shahtahmassebi, David Thickett, Haida Liang
{"title":"Ground-Based Remote Sensing and Machine Learning for in Situ and Noninvasive Monitoring and Identification of Salts and Moisture in Historic Buildings","authors":"Sotiria Kogou, Yu Li, C. S. Cheung, X. N. Han, Florence Liggins, Golnaz Shahtahmassebi, David Thickett, Haida Liang","doi":"10.1021/acs.analchem.4c05581","DOIUrl":"https://doi.org/10.1021/acs.analchem.4c05581","url":null,"abstract":"Historical buildings are prone to deterioration due to moisture and salt activity. Salt weathering affects the appearance of monuments, resulting in mechanical degradation. Many laboratory-based studies have been performed focusing on understanding salt formation in building materials and the resulting damage mechanisms. However, large-scale in situ monitoring is necessary to understand salt activity in realistic situations. Here, we present a novel methodology for in situ and noninvasive identification and monitoring of moisture and salts, following a complementary remote sensing approach. The study is based on ground-based remote short-wave infrared (SWIR) spectral imaging and remote Raman spectroscopy at stand-off distances of order 10 m. SWIR spectral imaging was used for scanning large wall surfaces at high resolutions (angular resolution of 45 μrad), which gave spatial distributions of moisture and salts in their various hydration states, visualized using an artificial neural-network based spectral clustering method. Remote Raman spectroscopy in each cluster area confirmed the identification of the salts.","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"41 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143486569","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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-Function Strategy for Enhanced Quercetin Detection Using Terbium(III) Ion-Bound Gold Nanoclusters
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-02-25 DOI: 10.1021/acs.analchem.4c06529
Kai-Yuan Huang, Yan-Yan Chen, Zhi-Qiang Yang, Yan-Ping Pan, Jun Xie, Wei Chen, Hao-Hua Deng
{"title":"Dual-Function Strategy for Enhanced Quercetin Detection Using Terbium(III) Ion-Bound Gold Nanoclusters","authors":"Kai-Yuan Huang, Yan-Yan Chen, Zhi-Qiang Yang, Yan-Ping Pan, Jun Xie, Wei Chen, Hao-Hua Deng","doi":"10.1021/acs.analchem.4c06529","DOIUrl":"https://doi.org/10.1021/acs.analchem.4c06529","url":null,"abstract":"The engineering of metal nanoclusters (NCs) that exhibit bright emissions and high sensing performance under physiological conditions is still a formidable challenge. In this study, we report a novel design strategy for realizing excellent performance metal NC-based probes by leveraging both concerted proton-coupled electron transfer (PCET) and photoinduced electron transfer (PET) mechanisms, with terbium(III) (Tb<sup>3+</sup>) ions serving as a key modulator. Our findings indicate that the binding of Tb<sup>3+</sup> ions to the 6-aza-2-thiothymidine (ATT) ligand effectively inhibits the proton-transfer step in the concerted PCET pathway of Au<sub>10</sub>(ATT)<sub>6</sub> NCs, giving rise to over a 10-fold enhancement in fluorescence and a quantum yield of 7.2%. Moreover, the capped Tb<sup>3+</sup> ions on the surface of Au<sub>10</sub>(ATT)<sub>6</sub> NCs can act as a bridge to facilitate an efficient donor-linker-acceptor type PET reaction from quercetin (Que) to the excited Au<sub>10</sub> core by specifically interacting with the bare 3-OH group. These advancements enable the Tb<sup>3+</sup>/Au<sub>10</sub>(ATT)<sub>6</sub> NC-based probe to achieve a significantly lower limit of detection for Que, reduced by nearly 3 orders of magnitude to 2.6 nM, while also addressing the critical difficulty of selectively detecting Que in the presence of its glycosylated analogues. This work opens new opportunities for the precise control of photoluminescence in metal NC probes at the molecular level, potentially promoting the development of next-generation metal NC-based sensing technologies.","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"53 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143486572","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
pyBinder: Quantitation to Advance Affinity Selection-Mass Spectrometry.
IF 6.7 1区 化学
Analytical Chemistry Pub Date : 2025-02-25 Epub Date: 2025-02-14 DOI: 10.1021/acs.analchem.4c04445
Joseph S Brown, Michael A Lee, Wayne Vuong, Andrei Loas, Bradley L Pentelute
{"title":"pyBinder: Quantitation to Advance Affinity Selection-Mass Spectrometry.","authors":"Joseph S Brown, Michael A Lee, Wayne Vuong, Andrei Loas, Bradley L Pentelute","doi":"10.1021/acs.analchem.4c04445","DOIUrl":"10.1021/acs.analchem.4c04445","url":null,"abstract":"<p><p>Affinity selection-mass spectrometry (AS-MS) is a ligand discovery platform that relies upon mass spectrometry to identify molecules bound to a biomolecular target. When utilized with large peptide libraries (10<sup>8</sup> members), AS-MS sample complexity can surpass the sequencing capacity of modern mass spectrometers, resulting in incomplete data, identification of few target-specific ligands, and/or incomplete sequencing. To address this challenge, we introduce pyBinder to perform quantitation on AS-MS data to process primary MS<sup>1</sup> data and develop two scores to rank the peptides from the integration of their peak area: target selectivity and concentration-dependent enrichment. We benchmark pyBinder utilizing AS-MS data developed against antihemagglutinin antibody 12ca5, revealing that peptides that contain a motif known for target-specific high-affinity binding are well characterized by these two scores. AS-MS data from a second protein target, WD Repeat Domain 5 (WDR5), is analyzed to confirm the two pyBinder scores reliably capture the target-specific motif-containing peptides. From the results delivered by pyBinder, a list of target-selective features is developed and fed back into subsequent MS experiments to facilitate expanded data generation and the targeted discovery of selective ligands. pyBinder analysis resulted in a 4-fold increase in motif-containing sequence identification for WDR5 (from 3 to 14 ligands discovered), showing the utility of the two scores. This work establishes an improved approach for AS-MS to enable discovery outcomes (i.e., more ligands identified), but also a way to compare AS-MS data across samples, protocols, and conditions broadly.</p>","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":" ","pages":"3855-3863"},"PeriodicalIF":6.7,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143412343","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
All-Solid-State Ion-Selective Electrode Inspired from All-Solid-State Li-Ion Batteries
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-02-25 DOI: 10.1021/acs.analchem.4c06470
Ryoichi Tatara, Yuki Shibasaki, Daisuke Igarashi, Hiroyuki Osada, Kazuma Aoki, Yusuke Miyamoto, Toshiharu Takayama, Takahiro Matsui, Shinichi Komaba
{"title":"All-Solid-State Ion-Selective Electrode Inspired from All-Solid-State Li-Ion Batteries","authors":"Ryoichi Tatara, Yuki Shibasaki, Daisuke Igarashi, Hiroyuki Osada, Kazuma Aoki, Yusuke Miyamoto, Toshiharu Takayama, Takahiro Matsui, Shinichi Komaba","doi":"10.1021/acs.analchem.4c06470","DOIUrl":"https://doi.org/10.1021/acs.analchem.4c06470","url":null,"abstract":"Solid electrolytes employed in all-solid-state Li-ion batteries (ASSBs) electronically isolate the positive and negative electrodes, while allowing the carrier ions, Li<sup>+</sup>, to pass through. Inorganic solid-state electrolytes, which typically exhibit a Li<sup>+</sup>-transference number of 1, are theoretically applicable as ion-sensitive membranes of potentiometric ion-selective electrodes (ISEs). Inspired by the ASSB architecture, an all-solid-state Li ISE was developed in a two-layer stacking configuration using a redox-active material (LiFePO<sub>4</sub>) and a solid electrolyte (Li<sub>1+<i>x</i>+<i>y</i></sub>Al<sub><i>x</i></sub>(Ti, Ge)<sub>2–<i>x</i></sub>Si<sub><i>y</i></sub>P<sub>3–<i>y</i></sub>O<sub>12</sub>) as inner and outer layers, respectively, on the substrate (i.e., current collector). The solid electrolyte acts as an ion-selective membrane because the Donnan membrane potential obeys a Nernstian response to Li<sup>+</sup> activity in the analyte solution. The fabricated ASSB-inspired ISE selectively responds to Li ions, exhibiting a Nernstian slope of 60.8 ± 0.5 mV dec<sup>–1</sup>, limit of detection of 10<sup>–4.9±0.4</sup>, and minimal potential variation (−3 to +6 mV over 17 d). Using a two-phase LiFePO<sub>4</sub>/FePO<sub>4</sub> layer with a highly stable potential as the inner reference electrode significantly minimizes the deviations in the response potential. Moreover, applying Li<sub>1+<i>x</i>+<i>y</i></sub>Al<sub><i>x</i></sub>(Ti, Ge)<sub>2–<i>x</i></sub>Si<sub><i>y</i></sub>P<sub>3–<i>y</i></sub>O<sub>12</sub> as a durable and highly ion-conductive inorganic solid electrolyte enables remarkable long-term stability.","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"51 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143496132","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
The Reversible and Background-Free Hydrogel-Sensing Platform for Dual-Mode Detection of Acetone in Exhaled Breath. 可逆且无背景的水凝胶传感平台,用于双模式检测呼出气体中的丙酮。
IF 6.7 1区 化学
Analytical Chemistry Pub Date : 2025-02-25 Epub Date: 2025-02-13 DOI: 10.1021/acs.analchem.4c06189
Wenshuai Guo, Kangran Li, Hao Yu, Caidie Chang, Jiawei Zhu, Kai Dai, Changlong Jiang
{"title":"The Reversible and Background-Free Hydrogel-Sensing Platform for Dual-Mode Detection of Acetone in Exhaled Breath.","authors":"Wenshuai Guo, Kangran Li, Hao Yu, Caidie Chang, Jiawei Zhu, Kai Dai, Changlong Jiang","doi":"10.1021/acs.analchem.4c06189","DOIUrl":"10.1021/acs.analchem.4c06189","url":null,"abstract":"<p><p>The acetone present in exhaled breath is a promising indicator for diagnosing human health. The fluorescent hydrogel sensor-based portable sensing platform is a highly effective tool for the on-site detection of acetone. However, existing hydrogel sensors are often limited by their irreversibility and autofluorescence. This study constructed an upconversion nanoprobe with reversibility for dual-mode detection of acetone by simply combining upconversion nanoparticles (UCNPs), hydroxylamine sulfate, and thymol blue (TB). The nanoprobe was further embedded into a hydrogel network to construct the background-free hydrogel nanosensor for the portable detection of acetone. The hydrogel nanosensor utilized long-wavelength-excited UCNPs to avoid self-luminescence interference. Hydroxylamine sulfate, as a specific recognition unit, reacted with acetone to induce the protonation of TB, resulting in an increase in absorbance at 548 nm and a decrease in luminescence at 540 nm, enabling visual colorimetric and precise luminescent detection of acetone. Moreover, the hydrogel nanosensor could be restored to its initial state through the deprotonation of TB, thereby achieving reversible detection. Additionally, 3D printing technology was utilized to construct a portable sensing platform for real-time acetone monitoring. The proposed upconversion hydrogel nanosensor in this study paves a new way for developing hydrogel sensors with high sensitivity and reversibility.</p>","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":" ","pages":"4084-4091"},"PeriodicalIF":6.7,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143412267","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
A Scenario-Adaptive Microfluidic Chip for Constructing In Vitro Models of Biological Barriers.
IF 6.7 1区 化学
Analytical Chemistry Pub Date : 2025-02-25 Epub Date: 2025-02-14 DOI: 10.1021/acs.analchem.4c06602
Yaran Chang, Tian Chen, Shanshan Geng, Yilin Wang, Wenmei Zhang, Qin Hu, Yaoyao Zhao, Qiaosheng Pu, Zhihong Liu, Guangsheng Guo, Xiayan Wang
{"title":"A Scenario-Adaptive Microfluidic Chip for Constructing In Vitro Models of Biological Barriers.","authors":"Yaran Chang, Tian Chen, Shanshan Geng, Yilin Wang, Wenmei Zhang, Qin Hu, Yaoyao Zhao, Qiaosheng Pu, Zhihong Liu, Guangsheng Guo, Xiayan Wang","doi":"10.1021/acs.analchem.4c06602","DOIUrl":"10.1021/acs.analchem.4c06602","url":null,"abstract":"<p><p>Microfluidic-based in vitro physiological barrier models are capable of simulating crucial environmental factors during barrier formation, including fluid shear and geometric-level cellular cocultures, thus offering enhanced physiological fidelity relative to conventional platforms. However, the sealed structure of microfluidic barrier chips faces challenges in characterizing and monitoring the barrier performance, especially in measuring transendothelial/epithelial electrical resistance (TEER). Here, we developed a microfluidic barrier chip that can be easily adapted to commercial TEER detectors. During the barrier construction phase, continuous perfusion culture was utilized to maintain a constant fluid shear stress; for barrier characterization, commercial resistance meters were employed to measure TEER directly. Using this chip, we successfully constructed an in vitro blood-brain barrier model with a TEER of approximately 220 Ω·cm<sup>2</sup>, indicating high physiological relevance. This scenario-adaptive microfluidic chip demonstrates extensive potential for developing organ-on-a-chip models across various barrier systems, with significant implications for barrier characteristic monitoring and in situ cell sampling within the chip.</p>","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":" ","pages":"3816-3821"},"PeriodicalIF":6.7,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143416714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Chemical Analysis of Deep-Lung Fluid Derived from Exhaled Breath Particles.
IF 6.7 1区 化学
Analytical Chemistry Pub Date : 2025-02-25 Epub Date: 2025-02-14 DOI: 10.1021/acs.analchem.4c06422
Tayeb Kakeshpour, John M Louis, Peter J Walter, Ad Bax
{"title":"Chemical Analysis of Deep-Lung Fluid Derived from Exhaled Breath Particles.","authors":"Tayeb Kakeshpour, John M Louis, Peter J Walter, Ad Bax","doi":"10.1021/acs.analchem.4c06422","DOIUrl":"10.1021/acs.analchem.4c06422","url":null,"abstract":"<p><p>Breath particles generated deep within the lung provide noninvasive access to sampling nonvolatiles in peripheral airway lining fluid. However, background contamination, their variable production among subjects, together with a huge unknown dilution when using the common breath condensate method for collection has limited their use for quantitative biomarker analysis. Instead, we first capture and dry the particles in a flexible chamber followed by accurate optical particle characterization during their collection for chemical analysis. By decoupling breathing and aerosol sampling airflows, this sequential approach not only accommodates all types of breathing routines but also enables the use of a variety of aerosol samplers for downstream biomarker analysis. Using <sup>23</sup>Na NMR, we measured 0.66 M Na in dry particles collected on a filter, which suggests that dehydration reduces their volume by a factor of ∼ 5.5 based on known Na levels in lung fluid. <sup>1</sup>H NMR revealed 0.36 and 0.68 M phosphocholine lipids in dried particles collected from two volunteers, presumably enriched to these levels relative to literature values derived from bronchoalveolar lavage fluid due to the film-bursting mechanism that underlies breath particle generation. Decoupling of breath collection and aerosol capture enabled the design of an impactor sampler with 72% efficiency. This impactor minimizes reagent and handling-related contamination associated with traditional filters by collecting dry particles directly in a microreactor for subsequent derivatization and quantification by mass spectrometry. The method is demonstrated by quantifying subnanogram amounts of urea from breath particles, corresponding to lung fluid urea concentrations consistent with literature blood plasma values.</p>","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":" ","pages":"4128-4136"},"PeriodicalIF":6.7,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143412337","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Fluorescent Fingerprint Identification of Protein Structural Changes and Disease-Specific Amyloid Beta Aggregates Based on a Single-Nanozyme Sensor Array
IF 7.4 1区 化学
Analytical Chemistry Pub Date : 2025-02-25 DOI: 10.1021/acs.analchem.4c05508
Yang Xiao, Min Zhang, Na Lu
{"title":"Fluorescent Fingerprint Identification of Protein Structural Changes and Disease-Specific Amyloid Beta Aggregates Based on a Single-Nanozyme Sensor Array","authors":"Yang Xiao, Min Zhang, Na Lu","doi":"10.1021/acs.analchem.4c05508","DOIUrl":"https://doi.org/10.1021/acs.analchem.4c05508","url":null,"abstract":"The misfolding of amyloid β (Aβ) peptides into an aggregation state is a central hallmark of the onset of Alzheimer’s disease (AD). However, conventional methods are mainly focused on detecting a specific Aβ peptide, which makes it difficult to recognize multiple analytes with different topological features and unfolded states at the same time. Here, we propose a simple and universal sensing strategy to construct a fluorescence sensor array by using a single-nanozyme probe combined with three fluorescent substrates as three recognition units to probe the protein structural changes and identify between multiple Aβ assemblies. In this sensor system, the fingerprint-like patterns are produced from the nonspecific interactions between topological proteins and the sensing units. As a result, this sensor array can accurately identify 13 kinds of proteins and their mixtures at different ratios. Moreover, the sensor array can discriminate against proteins with unfolded states and diverse conformational forms. Most importantly, the sensor array successfully distinguishes between multiple Aβ species, even in artificial cerebrospinal fluid samples and human serum samples. This work provides an attractive and reliable strategy for predicting pathologically relevant proteins and clinical diagnosis of AD.","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"8 1","pages":""},"PeriodicalIF":7.4,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143486567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 Oral Fluid Stains on Fabric via Solution Extraction Combined with Deep Ultraviolet Raman Spectroscopy.
IF 6.7 1区 化学
Analytical Chemistry Pub Date : 2025-02-25 Epub Date: 2025-01-30 DOI: 10.1021/acs.analchem.4c04581
Alexis Weber, Mohamed O Amin, Vladimir Ermolenkov, Entesar Al-Hetlani, Igor K Lednev
{"title":"Detection of Oral Fluid Stains on Fabric via Solution Extraction Combined with Deep Ultraviolet Raman Spectroscopy.","authors":"Alexis Weber, Mohamed O Amin, Vladimir Ermolenkov, Entesar Al-Hetlani, Igor K Lednev","doi":"10.1021/acs.analchem.4c04581","DOIUrl":"10.1021/acs.analchem.4c04581","url":null,"abstract":"<p><p>DNA phenotyping plays a central role in modern practical forensics, yet an overwhelming amount of evidence creates significant backlogs in all major crime laboratories. A fast nondestructive test of a potential biological stain prior to DNA phenotyping should reduce the number of irrelevant samples for the analysis and increase the efficiency of the overall process. Evidence items recovered from the crime scene can often include body fluid traces, such as oral fluid (OF). This proof-of-concept study demonstrates the effectiveness of Deep-UV Raman spectroscopy in identifying OF stains on substrates such as cotton, polyester, and blue denim, commonly encountered in forensic investigations. Through spectral interpretation and statistical analysis, this study compares Raman spectra from OF extracted from substrates with pure OF spectra. Additionally, comparative analysis with near-infrared (NIR) Raman spectroscopy to deep-UV Raman spectroscopy was performed. Distinct advantages of deep-UV Raman spectroscopy were determined, including reduced sample preparation requirements and the absence of fluorescence background, enhancement of the signal-to-noise ratio, and simplified data preprocessing. Using statistical analysis methods like principal component analysis and partial least-squares discriminate analysis, differentiation between OF and non-OF samples was possible. Overall, this study underscores the versatility and potential of deep-UV Raman spectroscopy as a valuable tool in forensic science.</p>","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":" ","pages":"3864-3871"},"PeriodicalIF":6.7,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143062301","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
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