Analytical Sciences最新文献

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Rapid spectrophotometric determination and extraction of platinum(IV) from pharmaceuticals assisted by 2-(2-(1-(thiophene-2-yl) ethylidene) hydrazinyl) benzoic acid (TEHBA) 用 2-(2-(1-(噻吩-2-基)亚乙基)肼基)苯甲酸 (TEHBA) 辅助快速分光光度法测定和萃取药物中的铂(IV)。
IF 1.8 4区 化学
Analytical Sciences Pub Date : 2024-06-17 DOI: 10.1007/s44211-024-00612-9
Amruta Murkute, Haribhau Aher, Somnath Bhumkar, Shashikant Kuchekar
{"title":"Rapid spectrophotometric determination and extraction of platinum(IV) from pharmaceuticals assisted by 2-(2-(1-(thiophene-2-yl) ethylidene) hydrazinyl) benzoic acid (TEHBA)","authors":"Amruta Murkute,&nbsp;Haribhau Aher,&nbsp;Somnath Bhumkar,&nbsp;Shashikant Kuchekar","doi":"10.1007/s44211-024-00612-9","DOIUrl":"10.1007/s44211-024-00612-9","url":null,"abstract":"<div><p>It has been suggested that the chelating agent 2-(2-(1-thiophene-2-yl) ethylidene) hydrazinyl) benzoic acid (TEHBA) be utilized to extract, separate and measure platinum(IV) by UV–visible spectrophotometry at the microgram level. Following 5 min of heating the reaction mixture in a water bath, Pt(IV)-TEHBA complex formed. This complex was formed in the presence of potassium iodide solution with a molar absorption coefficient 1.9 × 10<sup>3</sup> dm<sup>3</sup> mol<sup>−1</sup> cm<sup>−1</sup>. At 420 nm, the substance exhibited the greatest absorption. As Beer’s law described, the Pt(IV)-TEHBA complex for platinum(IV) has a beer’s range of 10–50 μg cm<sup>−3</sup>. It was determined that the proportion ratio of the Pt(IV)-TEHBA complex was 1:1 after its extraction. Despite the investigation of interference from various ions, it was ascertained that the method exhibited selectivity exclusively towards platinum(IV). The trace amounts of platinum(IV) were extracted and quantified from synthetic mixtures representing alloys, binaries and ternary synthetic mixtures. The process of extracting platinum(IV) from pharmaceutical samples involves the implementation of a specific method. Moreover, the procedure exhibits a progressive segregation of palladium(II), platinum(IV) and nickel(II) while also boasting its ease of operation.</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":"40 9","pages":"1765 - 1777"},"PeriodicalIF":1.8,"publicationDate":"2024-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141330312","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
Residue and dissipation kinetics of novel nematicide fluopyram in rice assessed by QuEChERS–liquid chromatography–tandem mass spectrometry 利用QuEChERS-液相色谱-串联质谱法评估新型杀线虫剂氟虫酰胺在水稻中的残留和消散动力学。
IF 1.8 4区 化学
Analytical Sciences Pub Date : 2024-06-17 DOI: 10.1007/s44211-024-00616-5
C. Selvi, K. Bhuvaneswari, A. Suganthi, P. Karthik, V. Muralitharan, P. Thangachamy
{"title":"Residue and dissipation kinetics of novel nematicide fluopyram in rice assessed by QuEChERS–liquid chromatography–tandem mass spectrometry","authors":"C. Selvi,&nbsp;K. Bhuvaneswari,&nbsp;A. Suganthi,&nbsp;P. Karthik,&nbsp;V. Muralitharan,&nbsp;P. Thangachamy","doi":"10.1007/s44211-024-00616-5","DOIUrl":"10.1007/s44211-024-00616-5","url":null,"abstract":"<div><p>Supervised field trial was conducted to study the dissipation pattern of fluopyram in rice plant after application of fluopyram 400 g/L SC(Velum Prime) as soil drenching at the time of sowing in nursery bed at X (500 g a.i. ha<sup>−1</sup>) and 1.25X (625.2 g a.i. ha<sup>−1</sup>) doses. Samples of rice plant were collected on 0, 1, 3, 7, 10, 15, and 20 days after transplanting. QuEChERS-based extraction method was validated and adopted to determine the residues of fluopyram in rice seedlings, whole rice grains (with husk), polished rice grain, husk, straw, and soil using LC–MS/MS (liquid chromatography–tandem mass spectrometry).The initial deposit of fluopyram in rice plant recorded were 0.27 and 0.41 mg kg<sup>−1</sup>in X and 1.25X doses, respectively. Fluopyram residues dissipated following first-order kinetics with half-life of 2.53 and 2.57 days at X and 1.25X doses, respectively. Residues were detected in seedlings up to 15 days after transplanting and were at below LOQ in whole rice grains (with husk), polished rice grain, husk, straw, and soil collected at harvest. Monitoring study revealed that application of novel nematicide fluopyram for the management of nematodes in rice does not pose any risks to consumers.</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":"40 10","pages":"1823 - 1832"},"PeriodicalIF":1.8,"publicationDate":"2024-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141330313","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
Molecular symmetry change of perfluoro-n-alkanes in ‘Phase I’ monitored by infrared spectroscopy 通过红外光谱监测全氟烷烃在 "第一阶段 "的分子对称性变化。
IF 1.8 4区 化学
Analytical Sciences Pub Date : 2024-06-14 DOI: 10.1007/s44211-024-00611-w
Taisuke Araki, Takayuki Oka, Nobutaka Shioya, Takeshi Hasegawa
{"title":"Molecular symmetry change of perfluoro-n-alkanes in ‘Phase I’ monitored by infrared spectroscopy","authors":"Taisuke Araki,&nbsp;Takayuki Oka,&nbsp;Nobutaka Shioya,&nbsp;Takeshi Hasegawa","doi":"10.1007/s44211-024-00611-w","DOIUrl":"10.1007/s44211-024-00611-w","url":null,"abstract":"<div><p>Phase diagram of polytetrafluoroethylene (PTFE) comprises four regions. Phases II and IV are characterized by twisted perfluoroalkyl (R<sub>f</sub>) chains having different twisting rate of 13/6 and 15/7, respectively, while Phase III is characterized by a planer trans-zigzag molecular skeleton like a normal alkyl chain. These are confirmed by X-ray and electron diffraction and have already been established. Unlike these, Phase I is left an unresolved matter. This phase is complicated indeed and is not symbolized by a single molecular structure. At an ambient pressure, Phase I is the temperature region above 30 ºC (303 K), and the helical molecular structure is supposed to be gradually untwisted with an elevating temperature. This untwisting image is roughly suggested by the diffraction, neutron scattering, and thermal expansion techniques, but the conventional approaches have all experimental limitations because the untwisting accompanies disorder (or defect) in the twist along the chain. To explore the transition between two different helical structures of the R<sub>f</sub> chain having disordered structures, vibrational spectroscopic techniques are expected to be an alternative approach. For infrared spectroscopy, for example, the twisting rate of the molecule is simply recognized as a degree of molecular symmetry. Here, we show that the band progression peaks of the CF<sub>2</sub> symmetric stretching vibration mode are quite sensitive and useful for pursuing the molecular symmetry change in Phase I for both peak intensity and position using perfluoro-n-alkanes having different chain length covering both even and odd number of the CF<sub>2</sub> groups.</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":"40 9","pages":"1723 - 1731"},"PeriodicalIF":1.8,"publicationDate":"2024-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11358247/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141316596","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
Advancing ethanol content determination in hydrogels: non-destructive and operational methods for health and criminal inspections 推进水凝胶中乙醇含量的测定:用于卫生和刑事检查的非破坏性操作方法。
IF 1.8 4区 化学
Analytical Sciences Pub Date : 2024-06-13 DOI: 10.1007/s44211-024-00617-4
Diego M. de Souza, Lívia de B. Salum, Robiedson R. Damasceno, Pedro J. de Moura Messias, Camila M. Silva, João V. de S. Cardoso, Pedro A. de O. Morais
{"title":"Advancing ethanol content determination in hydrogels: non-destructive and operational methods for health and criminal inspections","authors":"Diego M. de Souza,&nbsp;Lívia de B. Salum,&nbsp;Robiedson R. Damasceno,&nbsp;Pedro J. de Moura Messias,&nbsp;Camila M. Silva,&nbsp;João V. de S. Cardoso,&nbsp;Pedro A. de O. Morais","doi":"10.1007/s44211-024-00617-4","DOIUrl":"10.1007/s44211-024-00617-4","url":null,"abstract":"<div><p>The significance of accurate determination of ethanol content in hydrogel formulations was accentuated during COVID-19 pandemic coinciding with the heightened demand for sanitizing agents. The present article proposes three robust methodologies for this purpose: Fourier Transform Infrared Spectroscopy (FTIR), Raman spectroscopy, and Densitometry with matrix effect correction by Near-Infrared Spectroscopy (NIR). All three methods demonstrated outstanding linearity (<i>R</i><sup>2</sup> ≥ 0.99) and minimal errors (&lt; 1.7%), offering simplicity and operational efficiency. FTIR and Raman, being non-destructive and requiring minimal preparation, enable practical on-site analysis capabilities, underscoring the potential of the spectroscopic methods to expedite health investigations and inspections, empowering on-site ethanol determination, and relieving the burden on official laboratories. Additionally, the densitometry with NIR-based approach showcased superior accuracy and precision compared to spectroscopic methods, meeting validation criteria while offering operational advantages over the costly official distillation-based method. Therefore, it stands as a reliable and reproducible technique for comprehensive health and criminal compliance assessments, making it a compelling alternative for both industry and official laboratories.</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":"40 10","pages":"1833 - 1841"},"PeriodicalIF":1.8,"publicationDate":"2024-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141316595","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
Tritium concentration in the modern commercial D2O reagents 现代商用 D2O 试剂中的氚浓度。
IF 1.8 4区 化学
Analytical Sciences Pub Date : 2024-06-11 DOI: 10.1007/s44211-024-00615-6
Tomoko Ohta, Satoshi Fukutani, Takumi Kubota, Yasunori Mahara
{"title":"Tritium concentration in the modern commercial D2O reagents","authors":"Tomoko Ohta,&nbsp;Satoshi Fukutani,&nbsp;Takumi Kubota,&nbsp;Yasunori Mahara","doi":"10.1007/s44211-024-00615-6","DOIUrl":"10.1007/s44211-024-00615-6","url":null,"abstract":"<div><p>We investigated the tritium concentration in commercial modern D<sub>2</sub>O reagents frequently used in nuclear magnetic resonance analysis for analytical chemistry and in environmental tracer testing. The concentration of tritium in 11 D<sub>2</sub>O and 1 H<sub>2</sub><sup>18</sup>O reagents ranged from 61 Bq/L (5 × 10<sup>2</sup> TU) to 2.5 × 10<sup>3</sup> Bq/L (2 × 10<sup>4</sup> TU) in order of magnitude. The tritium concentration in the D<sub>2</sub>O reagents have increased with the increasing purity of D<sub>2</sub>O. The tritium concentration in all reagents was an order of magnitude greater than that in the surface waters at the Fukushima off-site of the Fukushima Daiichi Nuclear Power Plant after the accident in 2011 and in precipitation during the nuclear test era. However, the concentration of the tritium was lower than the regulatory limit for the concentration of tritium in drinking water accepted by the World Health Organization guidelines. The internal exposure effects from drinking the tritium water, which is contaminated by the tritium condensed in the reagent production processes, were negligible, even if the reagent was used in the environmental tracer test.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><img></picture></div></div></figure></div></div>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":"40 10","pages":"1927 - 1930"},"PeriodicalIF":1.8,"publicationDate":"2024-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141305202","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
Selection of structure-induced aptamer targeting small molecule based on capillary sieving electrophoresis 基于毛细管筛分电泳的结构诱导型适配体靶向小分子筛选。
IF 1.8 4区 化学
Analytical Sciences Pub Date : 2024-06-11 DOI: 10.1007/s44211-024-00588-6
Masahide Wada, Tatsuro Endo, Hideaki Hisamoto, Kenji Sueyoshi
{"title":"Selection of structure-induced aptamer targeting small molecule based on capillary sieving electrophoresis","authors":"Masahide Wada,&nbsp;Tatsuro Endo,&nbsp;Hideaki Hisamoto,&nbsp;Kenji Sueyoshi","doi":"10.1007/s44211-024-00588-6","DOIUrl":"10.1007/s44211-024-00588-6","url":null,"abstract":"<div><p>In this study, a structure-induced aptamer targeting small molecules was selected using capillary sieving electrophoresis (CSE). CSE was conducted using a capillary filled with a background solution containing hydroxypropyl cellulose as a sieving matrix to separate the aptamer candidates by changing their structures via complexation. Before aptamer selection, the original random-sequence DNA library was used to create structure-not-preorganized DNA sub-library containing straight-chain-like structures using CSE. Next, a structure-induced aptamer targeting <span>l</span>-tyrosinamide was selected from the prepared sub-library. Six aptamer candidates were selected, one of which showed a binding ability comparable to that of the reported <span>l</span>-tyrosinamide aptamer and selectivity toward the analogs. These results indicated that the proposed method can be applied to select structure-induced aptamers that target small molecules.</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":"40 8","pages":"1499 - 1508"},"PeriodicalIF":1.8,"publicationDate":"2024-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141299840","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
Photostability evaluation of manidipine tablets and structural determination of its photoproducts 马尼地平片剂的光稳定性评价及其光生成物的结构测定。
IF 1.8 4区 化学
Analytical Sciences Pub Date : 2024-06-11 DOI: 10.1007/s44211-024-00613-8
Kohei Kawabata, Kyoka Hirai, Shiori Akimoto, Masanori Inagaki, Hiroyuki Nishi
{"title":"Photostability evaluation of manidipine tablets and structural determination of its photoproducts","authors":"Kohei Kawabata,&nbsp;Kyoka Hirai,&nbsp;Shiori Akimoto,&nbsp;Masanori Inagaki,&nbsp;Hiroyuki Nishi","doi":"10.1007/s44211-024-00613-8","DOIUrl":"10.1007/s44211-024-00613-8","url":null,"abstract":"<div><p>Manidipine (MP) is a dihydropyridine drug, which is treated for the reduction of high blood pressure. The aim of this study is to clarify the photochemical behavior of MP in the case of ultraviolet light (UV) irradiation for MP tablets (Calslot<sup>®</sup> tablets). The tablets and its altered forms (powders and suspensions) were UV-irradiated using a black light, and residual amounts of active pharmaceutical ingredients (APIs) were monitored by high-performance liquid chromatography (HPLC). Due to the photoproducts of MP were detected in HPLC chromatograms, the elucidation of their chemical structures was carried out utilizing electrospray ionization tandem mass spectrometry (LC–ESI–MS/MS). As a result, APIs in Calslot<sup>®</sup> tablets were almost completely photodegraded in the case that Calslot<sup>®</sup> tablets were suspended in an aqueous media along with the generation of some MP photoproducts. LC–ESI–MS/MS analysis clarified the chemical structures of three MP photoproducts, indicating that they were a pyridine analogue, benzophenone and a hydrolysate. Benzophenone was a main MP photoproduct. It was possible that MP might be firstly oxidized to form its pyridine analogue, followed by the oxidation of a dimethyl methylene moiety. This moiety seemed to be eliminated as a benzophenone, and the cleavage of an ester bond of the residual moiety resulted in the generation of a hydrolysate. Finally, toxicological potencies of MP and its photoproducts were predicted in silico toxicity evaluation, suggesting some of biological effects of the photoproducts might be altered compared with MP.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><img></picture></div></div></figure></div></div>","PeriodicalId":7802,"journal":{"name":"Analytical Sciences","volume":"40 9","pages":"1733 - 1747"},"PeriodicalIF":1.8,"publicationDate":"2024-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141299839","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
Contamination, speciation, and health risk assessment of arsenic in leafy vegetables in Ambagarh Chowki (India) Ambagarh Chowki(印度)叶菜中砷的污染、种类和健康风险评估。
IF 1.8 4区 化学
Analytical Sciences Pub Date : 2024-06-07 DOI: 10.1007/s44211-024-00579-7
Madhuri Khute, Saroj Sharma, Khageshwar Singh Patel, Piyush Kant Pandey, Jasmina Allen, Warren Corns, Nelina Georgieva, Elena Bozhanina, Borislav Blazhev, Milosz Huber, Simge Varol, Pablo Martín-Ramos, Yanbei Zhu
{"title":"Contamination, speciation, and health risk assessment of arsenic in leafy vegetables in Ambagarh Chowki (India)","authors":"Madhuri Khute,&nbsp;Saroj Sharma,&nbsp;Khageshwar Singh Patel,&nbsp;Piyush Kant Pandey,&nbsp;Jasmina Allen,&nbsp;Warren Corns,&nbsp;Nelina Georgieva,&nbsp;Elena Bozhanina,&nbsp;Borislav Blazhev,&nbsp;Milosz Huber,&nbsp;Simge Varol,&nbsp;Pablo Martín-Ramos,&nbsp;Yanbei Zhu","doi":"10.1007/s44211-024-00579-7","DOIUrl":"10.1007/s44211-024-00579-7","url":null,"abstract":"<div><p>Green leafy vegetables are essential for a balanced diet, providing vital nutrients for overall well-being. However, concerns arise due to contamination with toxic substances, such as arsenic, posing risks to food safety and human health. This study analyzes inorganic (iAs), monomethyl (MMA), and dimethyl arsenic (DMA) in specific leafy vegetables (<i>Amaranthus tricolor</i> L., <i>Corchorus olitorius</i> L., <i>Cordia myxa</i> L., <i>Hibiscus sabdariffa</i> L., <i>Ipomoea batatas</i> (L.) Lam., <i>Moringa oleifera</i> Lam., and <i>Spinacia oleracea</i> L.) grown in the heavily polluted Ambagarh Chouki region, Chhattisgarh, India. Concentrations of DMA, MMA, and iAs ranged from 0 to 155, 0 to 7, and 131 to 3579 mg·kg<sup>−1</sup>, respectively. The health quotient (HQ) for iAs ranged between 0.37 and 3.78, with an average value of 2.58 ± 1.08.</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":"40 8","pages":"1553 - 1560"},"PeriodicalIF":1.8,"publicationDate":"2024-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141282781","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
Rapid quantitative analysis of coal composition using laser-induced breakdown spectroscopy coupled with random forest algorithm 利用激光诱导击穿光谱和随机森林算法快速定量分析煤的成分。
IF 1.8 4区 化学
Analytical Sciences Pub Date : 2024-06-05 DOI: 10.1007/s44211-024-00610-x
Hongkun Du, Shaoying Ke, Wei Zhang, Dongfeng Qi, Tengfei Sun
{"title":"Rapid quantitative analysis of coal composition using laser-induced breakdown spectroscopy coupled with random forest algorithm","authors":"Hongkun Du,&nbsp;Shaoying Ke,&nbsp;Wei Zhang,&nbsp;Dongfeng Qi,&nbsp;Tengfei Sun","doi":"10.1007/s44211-024-00610-x","DOIUrl":"10.1007/s44211-024-00610-x","url":null,"abstract":"<div><p>Coal is the primary energy source in China, widely used in energy production, industrial processes, and chemical engineering. Due to the complexity and diversity of coal quality, there is an urgent need for new technologies to achieve rapid and accurate detection and analysis of coal, aiming to improve coal resource utilization and reduce pollutant emissions. This study proposes a rapid quantitative analysis of coal using laser-induced breakdown spectroscopy combined with the random forest algorithm. Firstly, a Q-switched Nd: YAG laser at 1064 nm was employed to ablate coal samples, generating plasma, and spectral data were collected using a spectrometer. Secondly, the study explores the impact of different parameters in the preprocessing method (wavelet transform) on the predictive performance of the random forest model. It identifies elements related to coal ash content and calorific value along with their spectral information. Subsequently, to further validate the predictive performance of the model, a comparison is made with models established using support vector machine, artificial neural network, and partial least squares. Finally, under optimal parameters for spectral information preprocessing (wavelet transform with Db4 as the base function and 3 decomposition levels), a model combining wavelet transform with Random Forest is established to predict and analyze the ash content and calorific value of coal. The results demonstrate that the Wavelet Transform-Random Forest model exhibits excellent predictive performance (coal ash content: <i>R</i><sup>2</sup> = 0.9470, RMSECV = 4.8594, RMSEP = 4.8450; coal calorific value: <i>R</i><sup>2</sup> = 0.9485, RMSECV = 1.5996, RMSEP = 1.5949). Therefore, laser-induced breakdown spectroscopy combined with the random forest algorithm is an effective method for rapid and accurate detection and analysis of coal. The predicted coal composition values show high accuracy, providing insights and methods for coal composition monitoring and analysis.</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":"40 9","pages":"1709 - 1722"},"PeriodicalIF":1.8,"publicationDate":"2024-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141247305","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
Label-free colorimetric analysis strategies based on adsorption-responsive surface-enhanced photochromic phenomena of tungsten(VI) oxide nanoparticles for amino acids 基于纳米氧化钨(VI)吸附响应表面增强光致变色现象的氨基酸无标记比色分析策略。
IF 1.8 4区 化学
Analytical Sciences Pub Date : 2024-06-05 DOI: 10.1007/s44211-024-00607-6
Shohei Tanaka, Kenta Adachi
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