Analytical Sciences最新文献

{"title":"Mid-FTIR and machine learning for predicting fig leaf macronutrients content.","authors":"Lahcen Hssaini, Rachid Razouk","doi":"10.1007/s44211-025-00814-9","DOIUrl":"https://doi.org/10.1007/s44211-025-00814-9","url":null,"abstract":"<p><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 (< 0.01 for P and Mg), validation RMSE remained relatively low, underscoring the model's utility for screening (RPD > 1.5). Despite evidence of overfitting (training R² ≈ 0.999 vs. validation R² = 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 > 1.5, offers actionable insights for precision nutrient management in sustainable agriculture.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":""},"PeriodicalIF":1.8,"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, Mari Edamura, Shigenori Nagatomo, Kiyoharu Nakatani","doi":"10.1007/s44211-025-00806-9","DOIUrl":"https://doi.org/10.1007/s44211-025-00806-9","url":null,"abstract":"<p><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 (D_intra) was found to depend on protein sizes, whereas no significant pH dependence of D_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>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":""},"PeriodicalIF":1.8,"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, Muhammad I Syauqi, Afiten R Sanjaya, Isnaini Rahmawati, Jarnuzi Gunlazuardi, Tribidasari A Ivandini","doi":"10.1007/s44211-025-00808-7","DOIUrl":"https://doi.org/10.1007/s44211-025-00808-7","url":null,"abstract":"<p><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>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":""},"PeriodicalIF":1.8,"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":"A dexterous fluorescence sensor for diversified-biomarker detection using cyclic EDC-CHA (EDCHA) system.","authors":"Jie Du, Jinjuan Liu, Hongyan Li","doi":"10.1007/s44211-025-00791-z","DOIUrl":"https://doi.org/10.1007/s44211-025-00791-z","url":null,"abstract":"<p><p>Monitoring the levels of various biomarkers, such as nucleic acids and proteins, is crucial for early disease diagnosis, evaluating treatment efficacy, and predicting patient prognosis, thereby aiding clinical decision-making. Herein_, a robust double-circuit fluorescence assay combining the advantages of EDC and CHA called EDCHA is proposed. The EDCHA includes two cycles, EDC system identifies the target miRNA, realizes first signal amplification and releases an initiator chain to trigger the CHA system. CHA system realizes second signal amplification by opened hairpin structures and different fluorophore groups. In addition, by replacing the waste chain in the EDC system with fluorescent-labeled aptamer, the EDCHA can simultaneously detect both miRNA and protein. The EDCHA was verified with the specific detection of miRNA-21 with a low detection limit (LOD) of 77.18 pM. Furthermore, our method enables the simultaneous detection of two types of biomarkers-nucleic acids and proteins-with a low detection limit (LOD) of 0.94 nM for the AD-related protein AβO. These results demonstrate the enormous potential of EDCHA in diverse biomarkers analysis and cancer diagnosis.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144493471","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":"New complex iron with various functionalized 2,2'-bipyridine derivatives in evaluation of total lipophilic and hydrophilic antioxidant capacity by the potentiometry.","authors":"Elena Gerasimova, Elena Salimgareeva, Evgeniya Yanybaeva, Yaroslav Shtaitz, Viktoriya Kirillova, Alexey Krinochkin, Dmitry Kopchuk, Grigory Zyryanov, Alla Ivanova","doi":"10.1007/s44211-025-00804-x","DOIUrl":"10.1007/s44211-025-00804-x","url":null,"abstract":"<p><p>The potentiometric approach for determining the integral antioxidant capacity was developed. The reaction of antioxidants with new complexes of the iron with target functionalized 2,2'-bipyridine derivatives was used as a signal-forming reaction. The approach allows the joint determination of hydrophilic and lipophilic antioxidants, which is especially important in the analysis of plant samples with a complex composition. A number of new 2,2'-bipyridine derivatives have been synthesized. It has been shown that the complexing ability, especially with Fe(III), is increased by introducing halogens into the structure of 2,2'-bipyridine. The solubility of the complexes in polar solutions is increased by introducing the triethylene glycol fragment into the 2,2'-bipyridine at the aryl substituent in the C5 position. The electrochemical behavior of the complexes with Fe(II) and Fe(III) was studied. The metal - ligand ratios and stability constants of the complexes were estimated by the voltammetric method (the values of the conditional stability constants ranged from 1∙10⁸ to 5∙10¹⁰). Individual antioxidants with different solubilities and cereal extracts, containing antioxidants of different hydrophilicity, were studied by the potentiometric method using promising synthesized complexes. Recovery is about 100%. Relative standard deviation for promising complexes does not exceed 9%. Since the synthesized complexes have a color, they were used in the spectrophotometric method for correlation studies. In addition, the spectrophotometric method using the stable 2,2'-diphenyl-1-picrylhydrazyl radical was chosen as a comparison method. It has been shown that spectrometry using both new complex compounds and the 2,2'-diphenyl-1-picrylhydrazyl radical has limitations in the analysis of colored samples. Since food products are colored, this complicates the analysis by optical methods. Correlations between methods were established in cases of uncolored extracts. Thus, the developed potentiometric approach is not only simple and informative, but can also be used for a wider range of objects.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144336246","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, Yikui Zou, Lian Yu, Huanxin Xiao, Weiguang Chen, Qianchen Xuan, Xiping Cui, Suqing Zhao","doi":"10.1007/s44211-025-00807-8","DOIUrl":"https://doi.org/10.1007/s44211-025-00807-8","url":null,"abstract":"<p><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>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":""},"PeriodicalIF":1.8,"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}

{"title":"Mechanism of interaction between gaseous atoms and graphite determined from the back edge of atomic absorption signal with graphite furnace atomic absorption spectrometry.","authors":"Shoji Imai, Chisato Sasada, Yuhei Yamamoto","doi":"10.1007/s44211-025-00809-6","DOIUrl":"10.1007/s44211-025-00809-6","url":null,"abstract":"<p><p>The energetics of interactions between gaseous atoms and pyorolytic graphite (PG) were investigated by the Gibbs free energy change (ΔG) determined from the back edge of atomic absorption (AA) signa. The Gibbs free energy was estimated by assuming an equilibrium state among the interactions between an analyte atom (M) and a PG surface. Because of its poor reactivity, lead was used as a standard to define a ΔG value of Zero to calculate the loss rate of a hypothetical M_(g) without interactions. The kinetic parameters for M were calculated using a diffusion loss model. The ratio of the experimental loss rate to the hypothetical loss rate was used to determine the equilibrium constant (K) for the interaction between M and the PG surface, from which ΔG was calculated. The slope of a linear relationship of ΔG vs. the activation energy (E_a) of atomization for individual atoms on the PG surface was consistent with that of ΔG vs. the binding energy of adatoms with graphene. It was proposed that the interaction between M_(g) and the PG surface was caused by the binding to sites of top-C for Au, C-C bridge for Ag and Pb, a hexagonal hole of sixfold sites within C-ring for Co, Fe and Ni, a pair of terminal-C on zigzag edge for Cr, top-subedge for Mn, and active sites in adjacent graphite layers controlling intercalation for Cu.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144324314","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":"Analysis and quantification of tritium and other low-level radionuclides present in ALPS-treated water.","authors":"Asako Shimada, Ko Hemmi, Saki Ohira, Yoshihisa Iida","doi":"10.1007/s44211-025-00803-y","DOIUrl":"https://doi.org/10.1007/s44211-025-00803-y","url":null,"abstract":"<p><p>Advanced liquid processing system (ALPS)-treated water was sampled from the K4-B tank group on March 24, 2022, in the presence of staff from the International Atomic Energy Agency (IAEA) and Tokyo Electric Power Company (TEPCO) Holdings, Inc. The Nuclear Safety Research Center (NSRC) of the Japan Atomic Energy Agency analyzed ten key radionuclides (³H, ¹⁴C, ⁶⁰Co, ⁹⁰Sr, ⁹⁹Tc, ¹⁰⁶Ru, ¹²⁵Sb, ¹²⁹I, ¹³⁴Cs, and ¹³⁷Cs) and three additional nuclides (³⁶Cl, ⁵⁵Fe, and ⁷⁹Se) in the ALPS-treated water as part of independent monitoring for the regulatory body. According to the obtained results, all radionuclide concentrations, except that for the ³H concentration, were ultralow and less than the standard values permitted for discharge. TEPCO's analytical results were evaluated using the En number, which indicated satisfactory performance. In addition, reference values and ζ scores obtained via the IAEA's interlaboratory comparisons were recalculated incorporating the NSRC's results. All ζ scores for NSRC, IAEA, and TEPCO fell between - 2 and 2, demonstrating that the results are acceptable at a 95.4% confidence level.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144282017","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":"Nanofluidic devices for single-molecule analytical chemistry.","authors":"Qun Ma, Yan Xu","doi":"10.1007/s44211-025-00801-0","DOIUrl":"https://doi.org/10.1007/s44211-025-00801-0","url":null,"abstract":"<p><p>Single-molecule studies are increasingly critical across diverse scientific disciplines. While nanofluidics research has significantly advanced in the past decade, translating nanofluidic device fabrication into practical single-molecule analytical applications remains a significant challenge. This review explores the burgeoning field of single-molecule analytical chemistry utilizing nanofluidic devices. We delve into the fundamental mechanisms and technologies enabling single-molecule sampling, isolation, manipulation, detection as well as single-molecule analysis within well-defined nanofluidic channels, highlighting the unique advantages of ultrasmall confined spaces and resulting unusual effects of nanofluidic devices. Despite remarkable progress, critical challenges and promising opportunities abound in this emerging field. This review also discusses future directions for this promising area of single-molecule analytical chemistry based on nanofluidic devices.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144274033","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":"Bio-electroanalytical Chemistry = Research Footprint and the Future =.","authors":"Isao Taniguchi","doi":"10.1007/s44211-025-00765-1","DOIUrl":"https://doi.org/10.1007/s44211-025-00765-1","url":null,"abstract":"<p><p>During the past 40 years, bioelectrochemistry and bio-electroanalytical chemistry have developed. Especially, after the 1970s and 80s, protein electrochemistry has changed dramatically, because direct rapid electron-transfer reactions of metalloproteins were found to be observed on simple solid modified electrodes. The surface structures of such functional modified electrodes have also been studied at the atomic and/or molecular level using STM images on the single crystal surfaces to understand the roles of the surface structures. Since then, various electroanalytical techniques have been used to apply to analyze electrochemical behavior of important metalloproteins (i.e., cytochrome c, myoglobin, and ferredoxin) to understand the fundamental origins of their biological functions. In this short review, some of the achievements at the early stage of recent bioelectrochemistry of biologically important metalloproteins to analyze functions of biomolecules and their promising applications to prepare some biological devices, such as sensors and bio-fuel cells, are introduced based on research activities so far done in our group together with brief prospects.</p>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144265128","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}