Analytical Sciences最新文献

{"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}

{"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}

{"title":"Assessment of the purity of pyributicarb with signals partially overlapping with a structural isomer impurity in NMR spectrum","authors":"China Okamoto,&nbsp;Taichi Yamazaki,&nbsp;Yoko Ohte,&nbsp;Nobuyasu Itoh","doi":"10.1007/s44211-025-00817-6","DOIUrl":"10.1007/s44211-025-00817-6","url":null,"abstract":"<div><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, <i>n</i> = 3). This result was much better than the purity obtained by automatic deconvolution alone (0.9811–1.0120 kg/kg, 0.52%–5.04%, <i>n</i> = 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%, <i>n</i> = 3). The purity of pyributicarb estimated by our method using five overlapping signals [(0.9773 ± 0.0096) kg/kg, <i>k</i> = 2] was consistent with the reference value obtained by the mass balance approach [(0.9761 ± 0.0022) kg/kg, <i>k</i> = 2].</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":"41 9","pages":"1565 - 1571"},"PeriodicalIF":2.0,"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}

{"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}

{"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}

{"title":"Mid-FTIR and machine learning for predicting fig leaf macronutrients content","authors":"Lahcen Hssaini,&nbsp;Rachid Razouk","doi":"10.1007/s44211-025-00814-9","DOIUrl":"10.1007/s44211-025-00814-9","url":null,"abstract":"<div><p>Predicting leaf mineral composition is critical for monitoring plant health and optimizing agricultural practices. This study combines Fourier-transform infrared spectroscopy with attenuated total reflectance (FTIR-ATR) and machine learning (ML) to specific macronutrients, namely nitrogen (N), phosphorus (P), potassium (K), calcium (Ca), and magnesium (Mg), in fig leaves (Ficus carica L.). A dataset of 90 leaves was analyzed, with FTIR spectra (450–4000 cm⁻¹) preprocessed via baseline correction and second-derivative transformations. Three ML models were evaluated using fivefold cross-validation including Random Forest (RF), Support Vector Regression (SVR), and Gradient Boosting (GB), with performance assessed via root mean square error (RMSE), coefficient of determination (R²), and ratio of performance to deviation (RPD). GB outperformed other models, achieving validation RMSE/RPD values of 0.133/1.60 (nitrogen, N), 0.0107/1.79 (phosphorus, P), 0.1328/1.65 (potassium, K), 0.0636/1.96 (magnesium, Mg), and 0.2657/1.60 (calcium, Ca). Predictions for Mg (validation R² = 0.7351) and P (validation R² = 0.6873) exhibited the highest accuracy, potentially attributed to their stronger or more distinct spectral features (e.g., Mg-O stretching around 1050– 1150 cm⁻¹; P-O vibrations around 1240 cm⁻¹). Cross-validation revealed robust generalization for GB; while mean training RMSE was very low (&lt; 0.01 for P and Mg), validation RMSE remained relatively low, underscoring the model’s utility for screening (RPD &gt; 1.5). Despite evidence of overfitting (training <i>R</i>² ≈ 0.999 vs. validation <i>R</i>² = 0.61–0.74), GB’s performance evaluated using both RMSE and RPD confirmed its superiority over RF and SVR, which showed higher errors (e.g., SVR for Ca: RMSE = 0.4574, RPD = 1.07). This study demonstrates that FTIR-ATR coupled with ML is a rapid, non-destructive alternative to conventional destructive chemical analysis and that GB’s reliability, as indicated by RPD values &gt; 1.5, offers actionable insights for precision nutrient management in sustainable agriculture.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":"41 9","pages":"1473 - 1489"},"PeriodicalIF":2.0,"publicationDate":"2025-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144526105","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":"Intraparticle diffusion of proteins in diol group-functionalized porous silica particle revealed by fluorescence correlation spectroscopy","authors":"Akihisa Miyagawa,&nbsp;Mari Edamura,&nbsp;Shigenori Nagatomo,&nbsp;Kiyoharu Nakatani","doi":"10.1007/s44211-025-00806-9","DOIUrl":"10.1007/s44211-025-00806-9","url":null,"abstract":"<div><p>Size exclusion chromatography (SEC) is widely employed for the purification and separation of macromolecules; however, its underlying separation mechanism remains poorly understood. In this study, we investigated the intraparticle diffusion of proteins—lysozyme (Lz), myoglobin (Mb), hemoglobin (Hb), and horseradish peroxidase (HRP)—within diol-functionalized silica particle, which serve as the stationary phase in SEC, using fluorescence correlation spectroscopy (FCS). The intraparticle diffusion coefficient (<i>D</i>_intra) was found to depend on protein sizes, whereas no significant pH dependence of <i>D</i>_intra was observed. These findings suggest that the steric hindrance between the proteins and pore walls governs intraparticle diffusion, while electrostatic interactions play a negligible role. Consequently, our results demonstrate that the intraparticle diffusion of Mb and Lz observed via FCS primarily reflects bulk-like diffusion within the pore without any interactions between the proteins and particle surface. In contrast, surface diffusion is evident for HRP and Hb.</p><h3>Graphic Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":"41 9","pages":"1451 - 1459"},"PeriodicalIF":2.0,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144504542","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":"Electrochemiluminescence of titanium dioxide nanomaterials for sensing applications","authors":"Abdul Basit,&nbsp;Muhammad I. Syauqi,&nbsp;Afiten R. Sanjaya,&nbsp;Isnaini Rahmawati,&nbsp;Jarnuzi Gunlazuardi,&nbsp;Tribidasari A. Ivandini","doi":"10.1007/s44211-025-00808-7","DOIUrl":"10.1007/s44211-025-00808-7","url":null,"abstract":"<div><p>This study systematically reviews the electrochemiluminescence (ECL) properties of titanium dioxide (TiO₂) synthesized via hydrothermal, sol–gel, and anodic oxidation method. TiO₂ has emerged as a highly promising candidate for ECL-based sensing applications owing to its exceptional catalytic activity, high surface area, efficient electron transport, and biocompatibility. These properties of TiO₂ allow it to function effectively as a luminophore, co-reactant, and electrode immobilization matrix for bio-organic molecules. The performance of TiO₂ in ECL is mainly determined by its efficiency in electron transfer and its surface adsorption characteristics, which affect its interactions with ECL-active species. Moreover, the doping and functionalization of conductive nanomaterials, metal ions, metal oxides, and organic modifiers greatly improves charge-transfer kinetics and surface adsorption properties, leading to enhance ECL signal intensity and stability. The recent advancements highlight the promise of TiO₂-based materials in the creation of highly sensitive and selective ECL sensor and biosensors, applicable in biomedical, environmental, and analytical fields.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":"41 9","pages":"1427 - 1449"},"PeriodicalIF":2.0,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144482894","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":"An immunoassay based on polyHRP signal amplification for HPV16/18 E6 RNA detection with anti-DNA-RNA hybrid antibody","authors":"Mingxia Lin,&nbsp;Yikui Zou,&nbsp;Lian Yu,&nbsp;Huanxin Xiao,&nbsp;Weiguang Chen,&nbsp;Qianchen Xuan,&nbsp;Xiping Cui,&nbsp;Suqing Zhao","doi":"10.1007/s44211-025-00807-8","DOIUrl":"10.1007/s44211-025-00807-8","url":null,"abstract":"<div><p>Human papillomavirus (HPV) types 16 and 18 are major causes of cervical cancer, with their E6 oncogenes serving as key biomarkers for early diagnosis. Traditional molecular detection methods, such as PCR, are commonly used but still have limitations, including false positives and complex procedures. To address these challenges, we developed an amplification-free sandwich direct enzyme-linked immunoassay (sELISA). This assay combined the S9.6 antibody’s specificity for DNA-RNA hybrids with streptavidin-polymeric horseradish peroxidase (SA-polyHRP) for signal enhancement. The SA-polyHRP direct sELISA achieved a detection limit of 1.03 pM (0.012 pg/µL), demonstrating 59.6-fold higher sensitivity than the indirect sELISA using SA-coated plates with HRP-labeled secondary antibody (monomeric HRP) for tracer. The integral evaluation of immunoassays containing specificity, affinity, and robustness was accomplished by assessing selectivity for nucleic acid structure, length, GC content variations, and subtypes, respectively. Additionally, the assay was successfully applied to artificial plasma samples, showing acceptable recovery rates (76–108%) at various dilutions and further validating its potential for clinical diagnostics. Overall, this assay using the SA-polyHRP-based direct sELISA provided a rapid, highly specific, and sensitive diagnostic tool for the detection of HPV-related cancers, which will offer significant improvements in diagnostic accuracy, screening, and monitoring.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":"41 9","pages":"1461 - 1471"},"PeriodicalIF":2.0,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144324313","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}