{"title":"Breath biomarkers for esophageal cancer: identification, quantification, and diagnostic modeling.","authors":"Yuke Ren, Fei Wang, Ziyi Zhu, Raojun Luo, Guojun Lv, Haibin Cui","doi":"10.1007/s44211-025-00769-x","DOIUrl":"10.1007/s44211-025-00769-x","url":null,"abstract":"<p><p>Esophageal cancer is a major global health issue with a high mortality rate. Early diagnosis is crucial for improving patient outcomes, but traditional diagnostic methods are often invasive and costly. This study explores the potential of exhaled volatile organic compounds (VOCs) as a non-invasive diagnostic tool for esophageal cancer. Using gas chromatography-mass spectrometry (GC-MS), we analyzed the breath samples of 80 esophageal cancer patients and 60 healthy controls, identifying and quantifying over 100 VOCs. The results revealed significant differences in the concentrations of VOCs such as acetone, ethanol, and isoprene between the two groups. A multi-parameter regression diagnostic model based on a neural network algorithm achieved an accuracy of 90.3% in distinguishing esophageal cancer patients from healthy individuals. Further optimization incorporating physiological factors, including smoking, drinking, and dietary habits, improved the model's accuracy to 92.4%, with a specificity of 93.1%, representing a significant improvement over previous studies. These results suggest that VOCs analysis in exhaled breath holds great promise as a non-invasive, cost-effective, and accurate method for early detection of esophageal cancer.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":"965-976"},"PeriodicalIF":1.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143971487","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A label-free electrochemical biosensor based on rGO/Ppy nanocomposite for detection of Herpes simplex virus type 1.","authors":"Hamed Sadegh Mazji, Fatemeh Zeydi, Amir Hossein Esfandiari, Ehsan Aryan, Seyed Abdolrahim Rezaee, Seyedeh Belin Tavakoly Sany, Zahra Meshkat, Behnaz Hatamluyi","doi":"10.1007/s44211-025-00779-9","DOIUrl":"10.1007/s44211-025-00779-9","url":null,"abstract":"<p><p>The herpes simplex virus type 1 (HSV-1) is a prevalent herpes virus found in many regions worldwide, and it infects only humans as its natural hosts. These viruses cause a wide range of acute, latent, and chronic infections in humans, as the virus can cause latent infections as well as diseases such as primary and recurrent oropharyngeal disease, primary and recurrent genital disease, and herpes simplex infection. Therefore, a fast response, cost-effective, sensitive, and selective detection method for HSV-1 is much needed. Here, we present an electrochemical biosensor that is sensitive and selective for the accurate measurement of HSV-1. The glassy carbon electrode was coated with a reduced graphene oxide and polypyrrole nanocomposite (rGO/Ppy-NCs) for modification. The next step involved linking a specific antisense single-stranded DNA oligonucleotide for HSV-1 to the rGO/Ppy-NCs through a π-stacking interaction. The process of DNA hybridization was assessed through the measurement of changes in the free guanine peak current with changing ssDNA target concentrations by employing the method called differential pulse voltammetry (DPV). This biosensor showed a consistent response to synthetic ssDNA target, ranging from 1.0 × 10<sup>-15</sup> to 1.0 × 10<sup>-11</sup> M, with a detection limit of 0.83 fM. The biosensor's performance was put to the test using a cell culture sample positive for HSV-1, a positive HTLV-1 sample, and a PCR-confirmed negative sample. The obtained results exhibited excellent detection potential of the proposed biosensor as a sensitive and specific biosensing system.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":"997-1005"},"PeriodicalIF":1.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144092685","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
China Okamoto, Taichi Yamazaki, Yoko Ohte, Nobuyasu Itoh
{"title":"Assessment of the purity of pyributicarb with signals partially overlapping with a structural isomer impurity in NMR spectrum.","authors":"China Okamoto, Taichi Yamazaki, Yoko Ohte, Nobuyasu Itoh","doi":"10.1007/s44211-025-00817-6","DOIUrl":"https://doi.org/10.1007/s44211-025-00817-6","url":null,"abstract":"<p><p>Quantitative nuclear magnetic resonance (qNMR) spectroscopy is widely used as a quantification technique, the popularity of which is attributed to its ability to quantify various analytes using a single reference material. Accurate signal areas of target analytes are essential for accurate quantification by qNMR, but are difficult to obtain when impurities possessing similar chemical structures are also present. Here, we focused on accurate separation of impurity signals partially overlapping with target signals in NMR spectra and estimation of their signal areas using deconvolution. For accurate estimation of impurity signal areas, we applied manual adjustment after automatic deconvolution for pyributicarb, a carbamate herbicide, containing a structural isomer at 0.02 kg/kg. The level of impurity obtained by this method was from 0.0175 to 0.0245 kg/kg for five examined signals, which was comparable to 0.02 kg/kg. Purity obtained using five overlapping pyributicarb signal areas after subtracting impurity-related signals was from 0.9715 to 0.9834 kg/kg with small variations (between 0.02% and 0.41% in terms of relative standard deviation, n = 3). This result was much better than the purity obtained by automatic deconvolution alone (0.9811-1.0120 kg/kg, 0.52%-5.04%, n = 3) and better than that by a further optimized technique (the edited sum integration method; 0.9638-0.9820 kg/kg, 0.10%-1.41%, n = 3). The purity of pyributicarb estimated by our method using five overlapping signals [(0.9773 ± 0.0096) kg/kg, k = 2] was consistent with the reference value obtained by the mass balance approach [(0.9761 ± 0.0022) kg/kg, k = 2].</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144537795","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Analytical SciencesPub Date : 2025-07-01Epub Date: 2025-05-07DOI: 10.1007/s44211-025-00784-y
Sho Kimura, Akira Yamaguchi
{"title":"Anion recognition properties of acridine-urea conjugate in bulk and silica nanopore systems.","authors":"Sho Kimura, Akira Yamaguchi","doi":"10.1007/s44211-025-00784-y","DOIUrl":"10.1007/s44211-025-00784-y","url":null,"abstract":"<p><p>This study investigated the anion recognition properties of acridine-urea conjugate (AcU) in bulk DMSO and silica nanopore. The free AcU in bulk DMSO was in tautomeric equilibrium between fluorescent amino form (a-AcU) and non-fluorescent imino form (i-AcU). Owing to this tautomerization of AcU, the free AcU worked as fluorescence enhancement sensing by hydrogen bonds mediated complexation between urea unit and anion. The estimated dissociation constants were 1.4 ± 0.2 mM for CH<sub>3</sub>COO<sup>-</sup> and 3.1 ± 1.0 mM for H<sub>2</sub>PO<sub>4</sub><sup>-</sup>, whereas those for Cl<sup>-</sup>, ClO<sub>4</sub><sup>-</sup>, and HSO<sub>4</sub><sup>-</sup>were quite large. The hydrogen bond between urea unit and anion was also available for the anion recognition by AcU immobilized at the pore surface of mesoporous silica when the anion concentration is above 0.2 mM. In addition, we found that fluorescence of protonated a-AcU (a-AcHU<sup>+</sup>) could also be utilized for the recognition of weak acid anions over strong acid anions when the anion concentration is below 0.1 mM. The AcU@MPS with two recognition system has potential application for the anion recognition.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":"1041-1049"},"PeriodicalIF":1.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143973105","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Effect of rust due to freshwater on the provenance determination of unearthed iron artifacts using nondestructive X-ray fluorescence spectrometry.","authors":"Shintaro Ichikawa, Kanon Sato, Yusuke Momosaki, Tsutomu Kurisaki","doi":"10.1007/s44211-025-00773-1","DOIUrl":"10.1007/s44211-025-00773-1","url":null,"abstract":"<p><p>We examined the effect of rust due to freshwater on the provenance determination of iron artifacts, which is typically conducted based on elemental concentrations determined using nondestructive X-ray fluorescence (XRF) spectrometry. This was achieved by comparing a rusted iron sickle collected from farmland in Fukuoka, Japan before and after rust removal. The data were collected at 30 positions on the surface of the sample using nondestructive XRF spectrometry before and after rust removal. The concentration distributions of all elements in the sample before and after rust removal were considerably different. The escape depths of the fluorescent X-rays were calculated based on the median chemical composition of the rusted sample and then compared, and the rust thickness was estimated based on the sample thickness before and after rust removal. The fluorescent X-rays emitted from the sample, except Ba Kα, reflected only information from the rusted part not the uncorroded metal part. The As/Sb scatter plots, which are often used in provenance determination of iron artifacts, were created to compare the sample before and after rust removal. The As/Sb values measured at 30 positions after rust removal were normally distributed, whereas those measured before rust removal were not. Similarly, the scatter plots obtained in both cases exhibited different distributions. Therefore, the provenance determination of ironware using nondestructive XRF spectrometry would be affected by its rusting due to freshwater.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":"977-988"},"PeriodicalIF":1.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143957174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Analytical SciencesPub Date : 2025-07-01Epub Date: 2025-04-13DOI: 10.1007/s44211-025-00759-z
Jian Xiao, Alin Xia, Taidong Hou
{"title":"Rapid determination of total colony counts and prediction of shelf life of dried tofu using LF-NMR.","authors":"Jian Xiao, Alin Xia, Taidong Hou","doi":"10.1007/s44211-025-00759-z","DOIUrl":"10.1007/s44211-025-00759-z","url":null,"abstract":"<p><p>Dried tofu is a type of bean food that is popular among Chinese people. However, because dried tofu is usually exposed to air during storage or shelf life, this may lead to a rapid increase in colony counts and spoilage, resulting in shortened shelf life. The traditional method for measuring total colony counts is the plate counting method, which is complex and time consuming. Therefore, it is particularly important to explore a method that can quickly, accurately, and non-destructively determine the total colony counts of dried tofu and predict its shelf life. In this study, the samples were measured by low-field nuclear magnetic resonance (LF-NMR) to obtain transverse relaxation data. Then, the total colony counts in dried tofu was determined by plate counting method, and it was used as a reference value. The backpropagation artificial neural network (BP-ANN) was used to analyze the transverse relaxation data. The results show that the BP-ANN model could quickly and accurately predict total colony counts. In addition, the total colony counts predicted by BP-ANN were used to predict the shelf life. Comparing the predicted shelf life with the actual shelf life of dried tofu. The results show that the relative error between them is less than 10%. Thus, the shelf life model established by the BP-ANN predicted value has a certain reliability. This study provides some references for rapid and nondestructive determination of total colony counts and shelf life prediction of dried tofu.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":"945-952"},"PeriodicalIF":1.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143967120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Analytical SciencesPub Date : 2025-07-01Epub Date: 2025-04-29DOI: 10.1007/s44211-025-00777-x
Yoshitaka Saijo, Hiroyuki Hijiya
{"title":"Assessment of the X-ray-induced damage to sulfur in glass by laboratory X-ray fluorescence and wet chemical analysis.","authors":"Yoshitaka Saijo, Hiroyuki Hijiya","doi":"10.1007/s44211-025-00777-x","DOIUrl":"10.1007/s44211-025-00777-x","url":null,"abstract":"<p><p>Accurate valence state analysis of sulfur in glass is crucial because sulfur, a multivalent element, plays a pivotal role in regulating glass properties. X-ray analysis is a key technique for determining the valence state of sulfur; however, high-brightness synchrotron X-ray analysis can induce damage to sulfur in glass, reducing result reliability. Laboratory wavelength-dispersive X-ray fluorescence with a single crystal (single-crystal WD-XRF) is useful for routine analysis of average sulfur valence in glass samples; however, potential damage has not been reported. In this study, the stability of sulfur valence states in glass samples subjected to X-ray irradiation was investigated. WD-XRF measurements were conducted for up to 50 h, allowing in situ observation of sulfur damage. Wet chemical analysis was subsequently performed to verify the average sulfur valence in the irradiated areas. Two types of standard soda-lime silicate glasses, SRM 1831 (clear glass, high sulfur valence) and SGT10 (amber glass, low sulfur valence), were analyzed. Average sulfur valence remained stable in SRM 1831 but was gradually oxidized in SGT10 by X-ray irradiation. Wet chemical analyses confirmed these results, indicating that the sulfur valence change in SGT10 was actual. These analyses suggest that the oxidized layer of SGT10 was limited to the surface layer of the glass. This study highlights the importance of the conditions of WD-XRF analysis for the accurate determination of sulfur valence in glass, and the need for cross-validation with wet chemical analysis.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":"1007-1013"},"PeriodicalIF":1.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143958184","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Prediction of baicalin concentration within scutellaria based on terahertz spectroscopy by analyzing aligned principal component.","authors":"Yizhang Li, Yongbin Guo, Zhongmin Wang, Xiaodi Dong, Guiyun Cao, Xiuewei Yang, Dongyue Han, Zhaoqing Meng, Feng Qi","doi":"10.1007/s44211-025-00786-w","DOIUrl":"10.1007/s44211-025-00786-w","url":null,"abstract":"<p><p>Terahertz spectral analysis is made to study baicalin concentration within scutellaria by enlarging spectral feature. In detail, baicalin powder is added to scutellaria and the change in terahertz spectroscopy is intensified by multiplicative scattering correction and principal component analysis. It is found that multiplicative scattering correction contributes to aligning the first principal components, which allows the prediction of active ingredient ratio with increasing accuracy. The mechanism of feature change is verified from the perspective of spectrum overlapping of independent material. Moreover, by combining the assumption of linear superposition and the algorithm of principal component analysis, the error attached to experiment results is interpreted and attributed to difference between the claimed and actual material component. The study suggests that principal component analysis plays a role in analyzing superposition of independent terahertz spectrum, which is seldom noticed in practice.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":"1051-1059"},"PeriodicalIF":1.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143952778","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Analytical SciencesPub Date : 2025-07-01Epub Date: 2025-05-20DOI: 10.1007/s44211-025-00792-y
Mami Asakura, Shuyan Wang, Minako Hirano, Toru Ide
{"title":"Direct insertion of an ion channel immobilized on a soft agarose gel bead into a lipid bilayer: an optimized method.","authors":"Mami Asakura, Shuyan Wang, Minako Hirano, Toru Ide","doi":"10.1007/s44211-025-00792-y","DOIUrl":"10.1007/s44211-025-00792-y","url":null,"abstract":"<p><p>In this paper, we report the development of a device that improves the conventional artificial lipid bilayer method and can measure channel currents more efficiently. Ion channel proteins are an attractive research target in biophysics, because their functions can be measured at the single-molecule level with high time resolution. In addition, they have attracted attention as targets for drug discovery because of their crucial roles in vivo. Although electrophysiological methods are powerful tools for studying channel proteins, they suffer from low measurement efficiency and require considerable skill. In our previous paper, we reported that by immobilizing channel proteins on agarose gel beads and forming an artificial lipid bilayer on the bead surface, we simultaneously solved two problems that had been hindering the efficiency of the artificial bilayer method: the time-consuming formation of artificial lipid bilayers and the time-consuming incorporation of channels into artificial bilayers. Previous studies have utilized crosslinked hard beads; however, here we show that channel current measurement can be achieved more simply and efficiently using non-crosslinked soft beads. In this study, we detailed the process of immobilizing channel proteins on the surface of non-crosslinked beads through chemical modification, allowing us to measure their channel activity. This method enables current measurements without the need for stringent bead size selection or high negative pressure.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":"1073-1082"},"PeriodicalIF":1.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12202583/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144109409","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Recent applications of near infrared to pharmaceutical process monitoring and quality control.","authors":"Chao Zhang, Yuanyuan Liu, Zhiqiang Tang, Xuejun Chen, Hui Zhang, Nan Liu, Changhong Huo, Zengming Wang, Aiping Zheng","doi":"10.1007/s44211-025-00794-w","DOIUrl":"10.1007/s44211-025-00794-w","url":null,"abstract":"<p><p>NIR is a rapid, non-destructive analytical technique that leverages the absorption properties of molecules in the near-infrared region. This technology has become indispensable in the pharmaceutical industry due to its efficiency in analyzing solids, liquids, and various pharmaceutical preparations across numerous applications, including drug discovery, process monitoring, and quality control. With the advent of portable NIR instruments, the technology has gained a pivotal role in PAT, optimizing manufacturing processes and ensuring consistent product quality for real-time product release. This review reports on the remarkable versatility of NIR spectroscopy in the pharmaceutical field, covering a wide range of qualitative determinations, such as sample identification, crystal morphology, and eutectic analysis. It also addresses the quantitative analysis of samples and in-line applications in continuous manufacturing processes, including granulation, drying, tableting, and coating. The fundamentals of NIR spectroscopy, as well as its applications in botanical and biological products, are discussed. Additionally, the review examines the prospects and challenges associated with using NIR spectroscopic techniques. NIR spectroscopy served as an effective and powerful tool for both qualitative and quantitative analysis of pharmaceuticals and for monitoring continuous production.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":"923-944"},"PeriodicalIF":1.8,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144141210","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}