Analytical Sciences最新文献_第6页

Temperature-responsive polymers for bioanalytical systems 用于生物分析系统的温度响应聚合物

IF 2 4区化学

Analytical Sciences Pub Date : 2026-05-25 DOI: 10.1007/s44211-026-00910-4

Hiroya Abe

引用次数: 0

Separation and determination of sugar alcohols in detergents using field desorption 用现场解吸法分离和测定洗涤剂中的糖醇。

IF 2 4区化学

Analytical Sciences Pub Date : 2026-05-25 DOI: 10.1007/s44211-026-00927-9

Tomoki Maede, Kaname Tsutsumiuchi

{"title":"Separation and determination of sugar alcohols in detergents using field desorption","authors":"Tomoki Maede, Kaname Tsutsumiuchi","doi":"10.1007/s44211-026-00927-9","DOIUrl":"10.1007/s44211-026-00927-9","url":null,"abstract":"<div><p>The field desorption (FD) method is a soft ionization technique that can analyze nonvolatile, thermally labile compounds with minimizing fragmentation. While advantageous for analyzing viscous materials like detergents, FD traditionally lacks chromatographic separation, making it challenging to distinguish stereoisomers such as D-sorbitol and D-mannitol, which have identical molecular masses. Additionally, FD has historically been limited to qualitative analysis due to manual sampling variability and volatilization under high vacuum. This study demonstrates a novel approach to overcome these limitations. Researchers synthesized deuterated D-sorbitol and D-mannitol to serve as internal standards for quantitative analysis. Using a ruthenium on activated carbon (Ru/C) catalyst in D<sub>2</sub>O, they achieved 98% deuterium content at 80 °C. These internal standards proved essential for achieving acceptable recovery rates (108–117%) in model detergents, particularly at higher concentrations. A significant breakthrough in this research is the first-ever demonstration of stereoisomer separation using the FD method alone. By reducing the emitter’s rising current rate from 51.2 mA/min to 3.2 mA/min, the researchers were able to separate sorbitol and mannitol based on their different retention times. This separation is attributed to differences in the compounds’ physicochemical properties, such as crystallinity and solubility, which influence their desorption energy from the emitter surface. Compared to electrospray ionization (ESI), which suffered from matrix effects and instability for sugar alcohol analysis, the FD method provided a more direct and reliable quantitative route. Although current FD instruments are not yet optimized for precise current control, this study establishes FD as a valuable tool for quality control in detergent production, offering both isomer separation and direct quantification without complex derivatization.</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":"42 8","pages":"795 - 803"},"PeriodicalIF":2.0,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148013162","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}

引用次数: 0

Uniform shear-induced platelet aggregation analysis via microfluidics fabricated from 3D-printed mold: a rapid platform for antiplatelet drug assessment 通过3d打印模具制造的微流体进行均匀剪切诱导血小板聚集分析：抗血小板药物评估的快速平台。

IF 2 4区化学

Analytical Sciences Pub Date : 2026-05-19 DOI: 10.1007/s44211-026-00926-w

Xuemei Gao, Ling Ding, Xuanrong Huan, Fangyu Zhou, Yonghua Mi, Yuan Li

{"title":"Uniform shear-induced platelet aggregation analysis via microfluidics fabricated from 3D-printed mold: a rapid platform for antiplatelet drug assessment","authors":"Xuemei Gao, Ling Ding, Xuanrong Huan, Fangyu Zhou, Yonghua Mi, Yuan Li","doi":"10.1007/s44211-026-00926-w","DOIUrl":"10.1007/s44211-026-00926-w","url":null,"abstract":"<div><p>Precise monitoring of platelet function is fundamental to the effective management of cardiovascular diseases, yet conventional testing methodologies often overlook the influence of physiological fluid dynamics. Herein, we introduce and evaluate a microfluidics fabricated from 3D-Printed mold-based technique enabling the dynamic visualization and quantitative analysis of platelet adhesion and aggregation under simulated in vitro flow conditions. Using our model, we demonstrate that platelet aggregation is highly dependent on shear rate, with higher flow velocities leading to significantly larger and denser aggregates. Furthermore, at a single, physiologically relevant flow rate, we assessed the efficacy of common antiplatelet drugs—tirofiban, ticagrelor, and aspirin—revealing distinct potency hierarchies in their ability to inhibit platelet aggregation. Our demonstration of shear-sensitive platelet responses underscores a critical requirement: the evaluation of antiplatelet drugs must be conducted within a physiologically relevant hemodynamic context. Therefore, this microfluidic model represents a rapid, efficient, and powerful tool, not only for fundamental studies of platelet function but also as a promising platform for the personalized analysis of drug efficacy under simulated flow conditions.</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":"42 8","pages":"701 - 710"},"PeriodicalIF":2.0,"publicationDate":"2026-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147969793","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}

引用次数: 0

Development of the simultaneous determination of anionic and cationic nutrients in hydroponic solutions using polymer-based zwitterionic exchanger with neutral eluent 中性洗液与聚合物基两性离子交换剂同时测定水培溶液中阴离子和阳离子营养成分的研究进展。

IF 2 4区化学

Analytical Sciences Pub Date : 2026-05-19 DOI: 10.1007/s44211-026-00922-0

Yuki Uga, Atsushi Hashigami, Haruki Tsuboi, Yamato Okada, Yuta Mitsui, Taku Fujiwara, Yuki Sago, Daisuke Kozaki

{"title":"Development of the simultaneous determination of anionic and cationic nutrients in hydroponic solutions using polymer-based zwitterionic exchanger with neutral eluent","authors":"Yuki Uga, Atsushi Hashigami, Haruki Tsuboi, Yamato Okada, Yuta Mitsui, Taku Fujiwara, Yuki Sago, Daisuke Kozaki","doi":"10.1007/s44211-026-00922-0","DOIUrl":"10.1007/s44211-026-00922-0","url":null,"abstract":"<div><p>In hydroponic cultivation, pH and electrical conductivity are currently widely used as indicators for nutrient management, whereas the concentrations and compositions of individual ions (NO<sub>3</sub><sup>‒</sup>, NO<sub>2</sub><sup>‒</sup>, NH<sub>4</sub><sup>+</sup>, H<sub>2</sub>PO<sub>4</sub><sup>‒</sup>/HPO<sub>4</sub><sup>2‒</sup>, K<sup>+</sup>) are not precisely monitored. To reduce the environmental load and nutrient costs in future hydroponics, individual fertilization management based on effective and detailed monitoring of nutrients is required, necessitating accurate evaluation of nutrient levels. In this study, we describe the development and application of ion exclusion/cation exchange chromatography (IEC/CEC) with a neutral eluent (40 mM sodium acetate, and 0.5 mM 18-crown-6, pH 7.71) for simultaneous separation of ionic nutrients in a hydroponic fertilizer solution. These problems of the degradation of the separation column due to the precipitation of metal ion species under alkaline elution condition and the oxidation of NO<sub>2</sub><sup>‒</sup> to NO<sub>3</sub><sup>‒</sup> encountered under acidic eluent used in previously reported chromatographic studies were avoided while ensuring the base gel stability by using a polymer-based zwitterionic exchanger with neutral eluent. In addition, the developed IEC/CEC method was successfully applied to monitor the temporal evolution of the amount of target ionic nutrients in hydroponic solutions.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><img></picture></div></div></figure></div></div>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":"42 8","pages":"735 - 743"},"PeriodicalIF":2.0,"publicationDate":"2026-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s44211-026-00922-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147969695","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}

引用次数: 0

Portable microfluidic titration using a cross-shaped microfluidic device and smartphone camera for on-site quantitative analysis 便携式微流控滴定，使用十字形微流控装置和智能手机摄像头进行现场定量分析。

IF 2 4区化学

Analytical Sciences Pub Date : 2026-05-12 DOI: 10.1007/s44211-026-00902-4

Daina Numao, Nobuo Uehara, Arinori Inagawa

{"title":"Portable microfluidic titration using a cross-shaped microfluidic device and smartphone camera for on-site quantitative analysis","authors":"Daina Numao, Nobuo Uehara, Arinori Inagawa","doi":"10.1007/s44211-026-00902-4","DOIUrl":"10.1007/s44211-026-00902-4","url":null,"abstract":"<div><p>A portable microfluidic titration system using a smartphone camera was developed as a detector for onsite quantitative analysis. Two types of cross-shaped microfluidic devices with different channel geometries were designed and evaluated to improve the visual detectability of the equivalence point under limited spatial resolution. An expanding-channel device was found to promote molecular diffusion downstream, resulting in enhanced visibility of the equivalence point compared to a constant-width device. Using the optimized device, a strong acid–strong base system was subjected to acid–base titration using bromothymol blue as the indicator. The color images captured by the smartphone camera were analyzed by extracting the red channel intensity profiles and used to determine the distance corresponding to the equivalence point. A linear relationship was obtained between the measured distance and hydrochloric acid concentration in the range of 25–150 mM. The applicability of the proposed system was demonstrated by analyzing a real hot-spring water sample. The determined acid concentration was in good agreement with that obtained by conventional volumetric titration, with no statistically significant difference at the 95% confidence level. These results indicate that the proposed portable microfluidic titration system enables reliable quantitative analysis without the use of microscopes or specialized optical instruments, highlighting its potential for onsite analytical applications.</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":"42 8","pages":"805 - 813"},"PeriodicalIF":2.0,"publicationDate":"2026-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s44211-026-00902-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147873121","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}

引用次数: 0

A well-designed bridge probe with dual functions of recognition and transduction towards a universal LAMP system 一个设计良好的桥式探头，具有双重功能的识别和转导，适用于通用的LAMP系统。

IF 2 4区化学

Analytical Sciences Pub Date : 2026-05-08 DOI: 10.1007/s44211-026-00918-w

Luxi Peng, Jing Tan, Shengda Wang, Jing Liu, Kunxiao You, Xinglong Peng, Yushan Lin, Yan Yang, Huan Li

{"title":"A well-designed bridge probe with dual functions of recognition and transduction towards a universal LAMP system","authors":"Luxi Peng, Jing Tan, Shengda Wang, Jing Liu, Kunxiao You, Xinglong Peng, Yushan Lin, Yan Yang, Huan Li","doi":"10.1007/s44211-026-00918-w","DOIUrl":"10.1007/s44211-026-00918-w","url":null,"abstract":"<div><p>Loop-mediated isothermal amplification (LAMP) is a rapid, sensitive, and equipment-light method, making it well-suited for point-of-care testing. However, conventional LAMP often lacks universality in detecting diverse nucleic acid targets. To address this limitation, we designed a bridge probe with both recognition and transduction functions and introduced it into the LAMP system to establish a universal detection method, termed U-LAMP. This system uses a universal detection component to detect both DNA and miRNA, significantly enhancing universality and eliminating the need for repeated design of detection components, thereby reducing experimental complexity and cost. Experimental results demonstrate that U-LAMP achieves quantitative detection from fM to nM within one hour, with a detection limit at the fM level and a dynamic range covering eight orders of magnitude. Molecular beacon serves as the signal output, effectively suppressing non-specific signals and improving detection accuracy. With its advantages of universality, sensitivity, and ease of operation, U-LAMP has broad application prospects in resource-limited testing settings.</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":"42 8","pages":"711 - 718"},"PeriodicalIF":2.0,"publicationDate":"2026-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147832713","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}

引用次数: 0

Estimation of phosphorus and potassium as nutrient components in soil using magnetic-field-assisted laser-induced breakdown spectroscopy 利用磁场辅助激光诱导击穿光谱法估算土壤中磷和钾的营养成分。

IF 2 4区化学

Analytical Sciences Pub Date : 2026-05-08 DOI: 10.1007/s44211-026-00921-1

Naofumi Ohtsu, Eishi Hashiba, Yoshifumi Kitadate, Atsuto Yoshino, Madoka Tachibana, Mitsuhiro Hirano, Masayuki Uto

{"title":"Estimation of phosphorus and potassium as nutrient components in soil using magnetic-field-assisted laser-induced breakdown spectroscopy","authors":"Naofumi Ohtsu, Eishi Hashiba, Yoshifumi Kitadate, Atsuto Yoshino, Madoka Tachibana, Mitsuhiro Hirano, Masayuki Uto","doi":"10.1007/s44211-026-00921-1","DOIUrl":"10.1007/s44211-026-00921-1","url":null,"abstract":"<div><p>Estimating soil nutrient components is a key analytical methodology for creating fertilization maps for agricultural fields. To develop a compact laser-induced breakdown spectroscopy (LIBS) system for fertilizer map creation, this study examined the sensitivity enhancement of phosphorus (P) and potassium (K) in soil by adding magnetic field assistance using Halbach-arrayed neodymium magnets. The LIBS signal intensity was compared with the plant-available content determined by chemical analysis. The addition of a magnetic field (~ 0.5 T) increased the spectral intensity by ~ 1.3 times, owing to densification of the laser-induced plasma. Linearity in the calibration curve of P at 213.6 nm in soil was maintained up to ~ 0.5 wt%, whereas saturation occurred beyond ~ 1 wt%. In contrast, no linearity was observed in the calibration curve of K at 766.5 nm. The LIBS intensity correlated with the plant-available content; however, the magnetic-field-induced sensitivity enhancement contributed little to accuracy improvement. The spatial heterogeneity of actual soil leads to analytical errors, underscoring the importance of soil sample homogenization.</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":"42 8","pages":"727 - 733"},"PeriodicalIF":2.0,"publicationDate":"2026-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147832693","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}

引用次数: 0

WebPDF: a browser-based software application for calculating X-ray pair distribution function WebPDF：一个基于浏览器的软件应用程序，用于计算x射线对分布函数。

IF 2 4区化学

Analytical Sciences Pub Date : 2026-05-01 DOI: 10.1007/s44211-026-00917-x

Hiroki Yamada, Takuto Fukuoka, Kei Watanabe, Seiya Shimono, Yuki Sada, Kengo Nakada, Toshiyuki Matsunaga, Yoshiharu Uchimoto, Koji Ohara

{"title":"WebPDF: a browser-based software application for calculating X-ray pair distribution function","authors":"Hiroki Yamada, Takuto Fukuoka, Kei Watanabe, Seiya Shimono, Yuki Sada, Kengo Nakada, Toshiyuki Matsunaga, Yoshiharu Uchimoto, Koji Ohara","doi":"10.1007/s44211-026-00917-x","DOIUrl":"10.1007/s44211-026-00917-x","url":null,"abstract":"<div><p>Pair distribution function (PDF) analysis based on X-ray total scattering is a powerful technique for elucidating local and medium-range structure in crystalline, nanocrystalline, and amorphous materials. Several software packages—such as GudrunX, PDFgetX2, and PDFgetX3—along with facility-specific programs developed at synchrotron sites, are widely used for this purpose. However, these tools typically require installation and environment-dependent configuration, which can introduce compatibility issues across operating systems and create conflicts with pre-installed software. To overcome these limitations, we developed a browser-based PDF analysis application implemented using Pyodide and PyScript, allowing it to run entirely in modern web browsers without additional installation. The software provides key functionalities, including Fourier transformation from <i>S</i>(<i>Q</i>) to <i>G</i>(<i>r</i>), calculation of <i>g</i>(<i>r</i>), back-Fourier transformation with cutoff handling, and sequential data processing. Demonstrations on representative samples confirm consistency with established programs. The software supports both synchrotron data and laboratory-based measurements using Ag radiation sources, underscoring its broad applicability. This tool enables environment-independent and consistent analyses, significantly enhancing the accessibility of X-ray total-scattering and PDF techniques.</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":"42 8","pages":"719 - 726"},"PeriodicalIF":2.0,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s44211-026-00917-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147809405","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}

引用次数: 0

Copying a soft lithography master mold using an inexpensive, hobby-use UV-curable resin 复制软光刻主模具使用便宜的，业余爱好者使用的uv固化树脂。

IF 2 4区化学

Analytical Sciences Pub Date : 2026-04-30 DOI: 10.1007/s44211-026-00920-2

Kazuo Hosokawa, Hiroshi Kasuga, Hitoshi Ohmori

{"title":"Copying a soft lithography master mold using an inexpensive, hobby-use UV-curable resin","authors":"Kazuo Hosokawa, Hiroshi Kasuga, Hitoshi Ohmori","doi":"10.1007/s44211-026-00920-2","DOIUrl":"10.1007/s44211-026-00920-2","url":null,"abstract":"<div><p>Poly(dimethylsiloxane) (PDMS) is the most widely used material for microfluidic chips because of its advantageous properties including easy fabrication through soft lithography, which means pattern transfer technique from microfabricated master molds. However, most of the master molds are made of a silicon wafer and a photoresist layer, and have two major disadvantages: (1) the fabrication process is complicated and requires specialized facilities, and (2) the fabricated master molds are fragile. Here, we describe a simple fabrication technique to produce a robust master mold by pattern transfer from an existing PDMS chip to an inexpensive, hobby-use UV-curable resin (UV resin). The process requires no specialized facilities or hazardous chemicals. The test pattern consisted of microchannels with a cross-section of 100 µm × 25 µm and a total area of 30 mm × 30 mm. This pattern was faithfully transferred from the PDMS surface to the UV resin. The inaccuracy of the solidified UV resin was evaluated to be smaller than the measurement error (< 0.2%). The UV resin mold was subsequently tested for the soft lithography of a next-generation PDMS chip. For successful soft lithography, the UV resin mold required heat treatment at 60 °C for at least 48 h prior to use. Without this treatment, substantial damage was observed on both the PDMS and the UV resin surfaces. This problem was probably caused by the inhibition of PDMS curing due to unreacted components of the UV resin remaining on the surface. The technique presented here provides a simple and low-cost route for the repetitive fabrication of identical PDMS microfluidic chips for various research 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":"42 8","pages":"787 - 793"},"PeriodicalIF":2.0,"publicationDate":"2026-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s44211-026-00920-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147760078","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}

引用次数: 0

Application of a Hopfield neural network to extract essential spectral patterns from ToF–SIMS spectra of peptides 应用Hopfield神经网络从多肽的ToF-SIMS光谱中提取基本光谱模式。

IF 2 4区化学

Analytical Sciences Pub Date : 2026-04-27 DOI: 10.1007/s44211-026-00916-y

Satoka Aoyagi, Hiromi Kato, Shun Shibayama

{"title":"Application of a Hopfield neural network to extract essential spectral patterns from ToF–SIMS spectra of peptides","authors":"Satoka Aoyagi, Hiromi Kato, Shun Shibayama","doi":"10.1007/s44211-026-00916-y","DOIUrl":"10.1007/s44211-026-00916-y","url":null,"abstract":"<div><p>A recurrent neural network (RNN) system based on a Hopfield neural network (HNN) was developed to extract essential spectral patterns from the time-of-flight secondary ion mass spectrometry (ToF–SIMS) spectra of peptide samples. Because ToF–SIMS produces various fragment ions from organic molecules, the interpretation of ToF–SIMS spectra is generally complicated. ToF–SIMS is useful for peptide analysis because it detects specific amino acid fragment ions from peptides that indicate peptide information. However, the ToF–SIMS spectra also contain fragment ions that do not preserve the main structures of the original molecules, which makes them difficult to interpret. Therefore, it is crucial to extract essential spectral patterns from the ToF–SIMS spectra of organic materials. Peptides were selected as the target organic materials for this study due to their systematic chemical structures. A modified HNN was trained on the ToF–SIMS spectra of each peptide, and the trained HNNs were then used to recall patterns for various peptide ToF–SIMS spectra. The results show that the modified HNN recall essential spectra containing specific ions, including the protonated molecular ions and amino acid fragment ions of target peptides. Furthermore, the HNN results revealed differences and similarities between peptides with similar and different amino acid sequences. Thus, this study demonstrates the effectiveness of the HNN in interpreting complex spectra and its potential for preprocessing data for further analysis.</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":"42 7","pages":"589 - 598"},"PeriodicalIF":2.0,"publicationDate":"2026-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147760112","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}

引用次数: 0