Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy最新文献

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A novel ratiometric fluorescent nanosensor based-on UiO-66-NH2 capped carbon dots for nitrite determination. 基于 UiO-66-NH2 封顶碳点的新型比率计荧光纳米传感器用于测定亚硝酸盐。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-02-15 Epub Date: 2024-11-10 DOI: 10.1016/j.saa.2024.125422
Ming-Qin He, Hong-Wei Li, Yuqing Wu
{"title":"A novel ratiometric fluorescent nanosensor based-on UiO-66-NH<sub>2</sub> capped carbon dots for nitrite determination.","authors":"Ming-Qin He, Hong-Wei Li, Yuqing Wu","doi":"10.1016/j.saa.2024.125422","DOIUrl":"10.1016/j.saa.2024.125422","url":null,"abstract":"<p><p>Nitrite is a commonly used food preservative and a water contaminant that has garnered significant attention due to its harmful effects on human health. Developing a simple and sensitive method for determining nitrite levels is crucial for safeguarding public health. In this paper, we present a novel ratiometric fluorescent nanosensor (CDs@UiO-66-NH<sub>2</sub>), created by combining orange-red-emitting CDs with blue-emitting UiO-66-NH<sub>2</sub>. This ratiometric probe detects nitrite ions (NO<sub>2</sub><sup>-</sup>) based on the diazotization reaction between the amino group in UiO-66-NH<sub>2</sub> and the target NO<sub>2</sub><sup>-</sup>, where the blue emission of UiO-66-NH<sub>2</sub> is quenched but the orange-red emission of CDs remains stable. The probe demonstrated a detection range of 0.5-20 μM with a limit of detection (LOD) of 0.157 μM for NO<sub>2</sub><sup>-</sup>. Due to the probe's distinct color changes in response to NO<sub>2</sub><sup>-</sup>, RGB values can be easily read using a smartphone, enabling ultrasensitive visual detection of NO<sub>2</sub><sup>-</sup> with an LOD of 0.76 μM. This sensor was successfully applied to detect NO<sub>2</sub><sup>-</sup> in environmental water samples. Finally, a smartphone-based RGB reading method using CDs@UiO-66-NH<sub>2</sub> for visual quantitative detection of NO<sub>2</sub><sup>-</sup> was proposed, broadening the application of CDs@UiO-66-NH<sub>2</sub> in environmental protection.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125422"},"PeriodicalIF":0.0,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142640513","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
An optimized spectral reconstruction method for shift excitation Raman differential spectroscopy. 移位激发拉曼差分光谱的优化光谱重构方法。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-02-15 Epub Date: 2024-11-08 DOI: 10.1016/j.saa.2024.125397
Ying Zhao, Xiao-Jia Li, Ji-Wen Chen
{"title":"An optimized spectral reconstruction method for shift excitation Raman differential spectroscopy.","authors":"Ying Zhao, Xiao-Jia Li, Ji-Wen Chen","doi":"10.1016/j.saa.2024.125397","DOIUrl":"10.1016/j.saa.2024.125397","url":null,"abstract":"<p><p>Raman spectroscopy is a powerful analytical method, but when the composition of the test sample is intricate, the original spectral data may contain noise and fluorescence background interference, making it more difficult to extract Raman spectral information from the original spectra. Especially the fluorescence background signal, which is typically several orders of magnitude stronger than the Raman signal, can even overwhelm or obscure the Raman signals, thereby impeding the qualitative or quantitative analysis of the Raman spectra. One effective method for removing the fluorescence background is shift excitation Raman differential spectroscopy (SERDS), which typically involves measuring two raw Raman spectra using slightly different excitation wavelengths, combined with reconstruction algorithms, to obtain Raman spectra free from fluorescence interference. For this purpose, a reconstruction method based on Tikhonov regularized least squares (TRLS) was developed in this study, which mitigated the oscillations caused by the direct unconstrained least squares (DULS) reconstruction method. The method was verified and optimized using four groups of artificial datasets with different characteristics. By selecting an appropriate value for parameter α, the relative standard deviation (RSD) of the reconstructed datasets was lower than that of the artificial datasets in most cases. Additionally, we evaluated the performance of the TRLS reconstruction algorithm based on a quantitative model of real Raman spectral datasets, assessing the algorithm's performance from three perspectives: the root mean square error (RMSE), the correlation coefficient (R), and the ratio of prediction to deviation (RPD). The quantitative results indicate that using the TRLS method for reconstruction enhances both prediction accuracy and practicality. In summary, findings from both simulated data and actual experiments demonstrate that the TRLS-based reconstruction method substantially improves the stability and reliability of differential Raman spectra reconstruction.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125397"},"PeriodicalIF":0.0,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142669743","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Direct detection of melamine in milk via surface-enhanced Raman scattering using gold-silver anisotropic nanostructures. 利用金银各向异性纳米结构,通过表面增强拉曼散射直接检测牛奶中的三聚氰胺。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-02-15 Epub Date: 2024-11-08 DOI: 10.1016/j.saa.2024.125412
Mohamed Shameer, Kabali Vijai Anand, Javad B M Parambath, Soumya Columbus, Hussain Alawadhi
{"title":"Direct detection of melamine in milk via surface-enhanced Raman scattering using gold-silver anisotropic nanostructures.","authors":"Mohamed Shameer, Kabali Vijai Anand, Javad B M Parambath, Soumya Columbus, Hussain Alawadhi","doi":"10.1016/j.saa.2024.125412","DOIUrl":"10.1016/j.saa.2024.125412","url":null,"abstract":"<p><p>As the degree of anisotropy in nanoparticle morphology increases, the resulting electromagnetic enhancement can be significantly intensified. Herein, we have attempted to develop anisotropic gold-silver (a-AuAg) nanoparticles deposited on a titanium sheet (a-AuAg@Ti) as a highly efficient Surface-enhanced Raman Spectroscopy (SERS) sensor for rapid detection of health-hazardous milk adulterants like melamine. Hierarchical a-AuAg nanoparticles have been synthesized via a facile seed and growth-mediated method, followed by immobilization on a titanium sheet using a drop-casting technique. The structural, morphological, chemical, and optical properties of a-AuAg@Ti sensors have been systematically investigated and correlated with their respective SERS performance. Morphological analysis revealed the occurrence of triangular, hexagonal, and pentagonal-shaped nanoparticles with an average particle size of ∼ 23 to 26 nm. Preliminary SERS analysis using Rhodamine 6G (R6G) probe molecule revealed significantly higher SERS activity for a-AuAg nanoparticles compared to their spherical counterparts. This could be attributed to the lightning rod effect associated with the synthesized anisotropic nanostructures. An enhancement factor of 1.7 x 10<sup>8</sup> has been estimated for a-AuAg@Ti sensor with excellent signal reproducibility. Further, the efficacy of melamine detection has been investigated by spiking it into water and milk samples. The estimated lower detection limit (LDL) near picomolar and nanomolar concentrations have been obtained for melamine-spiked samples in water and milk, respectively. High-performance liquid chromatography analysis for melamine revealed an LDL of only 0.1 µM, indicating the higher sensitivity of a-AuAg@Ti SERS sensor. Moreover, we have also analyzed commercial milk products to verify the melamine contents, but none of them showed melamine-specific fingerprint bands. Our findings highlight the superior sensitivity of a-AuAg@Ti substrates for real-time melamine detection, making them excellent optical sensing tools for food safety analysis.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125412"},"PeriodicalIF":0.0,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635442","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Rapid qualitative and quantitative detection for adulteration of Atractylodis Rhizoma using hyperspectral imaging combined with chemometric methods. 利用高光谱成像结合化学计量学方法快速定性和定量检测白术掺假。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-02-15 Epub Date: 2024-11-10 DOI: 10.1016/j.saa.2024.125426
Siman Wang, Ruibin Bai, Wanjun Long, Xiufu Wan, Zihan Zhao, Haiyan Fu, Jian Yang
{"title":"Rapid qualitative and quantitative detection for adulteration of Atractylodis Rhizoma using hyperspectral imaging combined with chemometric methods.","authors":"Siman Wang, Ruibin Bai, Wanjun Long, Xiufu Wan, Zihan Zhao, Haiyan Fu, Jian Yang","doi":"10.1016/j.saa.2024.125426","DOIUrl":"10.1016/j.saa.2024.125426","url":null,"abstract":"<p><p>In the field of traditional Chinese medicine, Atractylodis Rhizoma (AR) is commonly used for various diseases due to its excellent ability to dry dampness and strengthen the spleen, especially popular in East Asia. The aim of this study is to proposed Hyperspectral Imaging (HSI) in combination with chemometric methods for the rapid qualitative and quantitative detection of AR adulteration with other types of powder. Partial Least Squares Discriminant Analysis (PLS-DA) was used to construct the classification models the best, with the First-order Derivative (F-D) preprocessing method. The accuracy values of the test sets for classification models were above 99%. Furthermore, Partial Least Squares Regression (PLSR), Random Forest Regression (RFR), and BP Neural Network (BPNN) were used to quantitatively analyze the adulteration level. On the whole, the BPNN model has a relatively stable effect. The R-square (R<sup>2</sup>) values of different models were all greater than 0.97, the Root Mean Square Error (RMSE) values were all less than 0.0300, and the Relative Percentage Difference (RPD) values were over 6.00. After applying three characteristic wavelength selection algorithms, namely Iterative Retained Information Variable (IRIV), Successive Projections Algorithm (SPA), and Variable Iterative Space Shrinkage Approach (VISSA) algorithms, the classification accuracy values remained over 99.00% while the quantification models' RPD values were over 4.00. These results demonstrate the reliability of using hyperspectral imaging combined with chemometrics methods for the adulteration problems in AR.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125426"},"PeriodicalIF":0.0,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635476","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A glutathione-sensitive small molecule fluorescent probe for rapid and facile gut microbiota sensing. 一种对谷胱甘肽敏感的小分子荧光探针,用于快速简便地感知肠道微生物群。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-02-15 Epub Date: 2024-11-12 DOI: 10.1016/j.saa.2024.125408
Hongli Tan, Meizi Zeng, Cong Fang, Xiaohua Zhu, Meiling Liu, Ying Long, Haitao Li, Youyu Zhang, Shouzhuo Yao
{"title":"A glutathione-sensitive small molecule fluorescent probe for rapid and facile gut microbiota sensing.","authors":"Hongli Tan, Meizi Zeng, Cong Fang, Xiaohua Zhu, Meiling Liu, Ying Long, Haitao Li, Youyu Zhang, Shouzhuo Yao","doi":"10.1016/j.saa.2024.125408","DOIUrl":"10.1016/j.saa.2024.125408","url":null,"abstract":"<p><p>The human gut microbiota plays an integral role in the management of human health. Effective detection of gut-derived bacteria and their metabolites, as well as assessing antibiotic susceptibility, are crucial for the treatment of intestinal bacteria-related diseases. Herein, we designed and developed a dual-site (nitrophenyl sulfide group and aldehyde group) fluorescent probe DNO-HC, which could rapidly (∼1 min) respond to glutathione (GSH) with low background fluorescence, high selectivity, and low detection limits (45 nM). Moreover, the probe can be used to evaluate the metabolic levels (GSH) in different gut-derived bacteria and discriminate their Gram status. Remarkably, the assessment of antimicrobial susceptibility to a variety of antibiotics has been successfully accomplished utilizing this probe. It offers a promising strategy for the treatment of diseases associated with bacterial infections.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125408"},"PeriodicalIF":0.0,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142650038","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A boronic acid functionalized terbium metal-organic framework for fluorescence detection and adsorption of gallic acid. 用于没食子酸荧光检测和吸附的硼酸功能化铽金属有机框架。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-02-15 Epub Date: 2024-11-10 DOI: 10.1016/j.saa.2024.125425
Yulin Wang, Jixuan Chen, Kailian Zhou, Jinting Chen, Jiaqiuzi Zhang, Yongbiao Hua, Jiayao Chen, Huishi Guo, Xiuzhen Qiu
{"title":"A boronic acid functionalized terbium metal-organic framework for fluorescence detection and adsorption of gallic acid.","authors":"Yulin Wang, Jixuan Chen, Kailian Zhou, Jinting Chen, Jiaqiuzi Zhang, Yongbiao Hua, Jiayao Chen, Huishi Guo, Xiuzhen Qiu","doi":"10.1016/j.saa.2024.125425","DOIUrl":"10.1016/j.saa.2024.125425","url":null,"abstract":"<p><p>Gallic acid (GA) is widely applied as an antioxidant in foods and pharmaceuticals. In this study, a boronic acid functionalized metal-organic framework (Tb-MOF) is developed for fluorescence detection and adsorption of GA. Tb-MOF is constructed by coordination polymerization of terbium ions (Tb<sup>3+</sup>) with 3,5-dicarboxyphenylboronic acid (BBDC). The resulted Tb-MOF exhibits green fluorescence emission at 546 nm under an excitation of 280 nm. However, the green emission of Tb-MOF decreases in the presence of GA due to the formation of borate esters between phenolic hydroxyl groups of GA and hydroxyl groups of Tb-MOF. Under optimized conditions (40 mmol·L<sup>-1</sup> Tris-HCl buffer solution of pH = 6.2 and reaction time of 25 min), the sensor shows a wide detection range of 5 ∼ 200 μmol·L<sup>-1</sup> with a correlation coefficient (R<sup>2</sup>) of 0.9950. Meanwhile, Tb-MOF shows good selectivity and sensitivity to GA (the limit of detection (LOD) is 0.44 μmol·L<sup>-1</sup>). Additionally, Tb-MOF is used to investigate GA adsorption. The corresponding adsorption data can be suitably described by Langmuir isotherm and pseudo-second-order models with a maximum adsorption capacity of 6.03 mg·g<sup>-1</sup>. The above results demonstrate the potential of prepared Tb-MOF in integrating GA detection and adsorption in water samples.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125425"},"PeriodicalIF":0.0,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635366","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
How symmetry helps to improve the estimation of the hyperfine splitting of torsional levels due to tunneling. The case of the HSSSH molecule. 对称性如何有助于改进对隧道效应引起的扭转水平超频分裂的估计。以 HSSSH 分子为例。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-02-15 Epub Date: 2024-10-22 DOI: 10.1016/j.saa.2024.125307
George A Pitsevich, Alex E Malevich, Alexander A Kamnev
{"title":"How symmetry helps to improve the estimation of the hyperfine splitting of torsional levels due to tunneling. The case of the HSSSH molecule.","authors":"George A Pitsevich, Alex E Malevich, Alexander A Kamnev","doi":"10.1016/j.saa.2024.125307","DOIUrl":"10.1016/j.saa.2024.125307","url":null,"abstract":"<p><p>In this study, we analyze a series of molecules belonging to the C<sub>2V</sub>(M) molecular symmetry group which are characterized by several conformers. The use of molecular symmetry at each stage of calculating the energy of stationary torsional states is demonstrated. In particular, the importance is shown of preliminary symmetrization of physical characteristics of the molecules obtained by quantum chemical calculations. For the first time, symmetry-adapted basis functions for the diagonal kinetic coefficients are presented, which for the analyzed molecules do not satisfy all symmetry operations of the C<sub>2V</sub>(M) group. Using the HSSSH molecule as an example, it is shown how the full or partial accounting for molecular symmetry influences the calculated values of ultra-small tunneling splittings of the ground torsional states of the trans- and cis-conformers. It has also been established that the Hamiltonian matrix is characterized by symmetry which, when taken into account, makes it possible to halve the time of calculation of its elements.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125307"},"PeriodicalIF":0.0,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Smartphone-based colorimetric paper chip sensor using single-atom nanozyme for the detection of carbofuran pesticide residues in vegetables. 利用单原子纳米酶的智能手机比色纸片传感器检测蔬菜中的呋喃丹农药残留。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-02-15 Epub Date: 2024-11-13 DOI: 10.1016/j.saa.2024.125415
Lifan Zhang, Ziyue Lang, Bozhi Lu, Tinglan Yang, Xinyi Zhang, Muxue Wang, Xiaomei Zhang, Hongmei Cao, Daixin Ye
{"title":"Smartphone-based colorimetric paper chip sensor using single-atom nanozyme for the detection of carbofuran pesticide residues in vegetables.","authors":"Lifan Zhang, Ziyue Lang, Bozhi Lu, Tinglan Yang, Xinyi Zhang, Muxue Wang, Xiaomei Zhang, Hongmei Cao, Daixin Ye","doi":"10.1016/j.saa.2024.125415","DOIUrl":"10.1016/j.saa.2024.125415","url":null,"abstract":"<p><p>Carbofuran (CBF), which exhibit high toxicity, persistent residues, ease of accumulation, and resistance to degradation, pose serious threats to human health and harm the ecological environment. Therefore, there is an urgent need to develop a rapid and accurate method for detecting CBF. In this work, a low-cost, portable, and easy-to-use paper chip biosensor was developed, integrating smartphones for the detection of CBF pesticide residues. This biosensor facilitates rapid on-site testing, meeting the needs for immediate analysis. CBF has the ability to inhibit acetylcholinesterase (AChE) activity. In the presence of AChE, acetylthiocholine (ATCh) is hydrolyzed to produce thiocholine (TCh). TCh, in turn, can inhibit the catalytic activity of Ni-N-C single-atom nanozymes (SAzyme) synthesized using Ni(OH)<sub>2</sub> nanochip as a metal precursor, which possess high peroxidase activity. Consequently, the concentration of CBF can be determined by observing the resultant color changes. The results showed that this sensor had a good linear response in the range of CBF concentration from 10 to 500 ng/mL, and the LOD was as low as 8.79 ng/mL. In testing three actual samples-Chinese cabbage, cabbage, and lettuce-the recoveries ranged from 81.09% to 125.27%. This demonstrated that the proposed smartphone-based colorimetric paper chip sensor, utilizing Ni-N-C SAzyme, offers an immediate, convenient, and rapid new strategy for detecting CBF.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125415"},"PeriodicalIF":0.0,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142669746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Inversion of nitrogen and phosphorus contents in cotton leaves based on the Gaussian mixture model and differences in hyperspectral features of UAV. 基于高斯混合物模型和无人机高光谱特征差异的棉叶氮磷含量反演。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-02-15 Epub Date: 2024-11-10 DOI: 10.1016/j.saa.2024.125419
Lei Peng, Hui-Nan Xin, Cai-Xia Lv, Na Li, Yong-Fu Li, Qing-Long Geng, Shu-Huang Chen, Ning Lai
{"title":"Inversion of nitrogen and phosphorus contents in cotton leaves based on the Gaussian mixture model and differences in hyperspectral features of UAV.","authors":"Lei Peng, Hui-Nan Xin, Cai-Xia Lv, Na Li, Yong-Fu Li, Qing-Long Geng, Shu-Huang Chen, Ning Lai","doi":"10.1016/j.saa.2024.125419","DOIUrl":"10.1016/j.saa.2024.125419","url":null,"abstract":"<p><p>The nitrogen (N) and phosphorus (P) contents in cotton leaves can directly reflect growth conditions. Rapid and nondestructive acquisition of the N and P content in cotton leaves at the field scale is essential for rational fertilization strategies and precision agriculture. However, traditional direct destructive sampling in the field is performed at the sample point scale, which cannot rapidly obtain cotton leaf N and P content from the entire field. In this study, we propose that post-classification modeling based on differences in spectral features is beneficial for improving the prediction of N and P contents in cotton leaves. To test this hypothesis, we first used principal component analysis to downscale the hyperspectral data and then used Gaussian mixture modeling (GMM) to segment the hyperspectral data for spectral differences. The in-situ measured data was then combined with the random forest model to establish N and P prediction models for cotton leaves with spectral differences and full samples. Finally, the predictive model was utilized for leaf N and P spatial mapping of cotton in the field using UAV hyperspectral images as the input data. The results demonstrate that the spectral reflectance features of the different clusters classified by the GMM differ significantly in intensity and shape. The accuracy of the cotton leaf N and P prediction model based on the spectral differences was attributed to the full sample. The results validate the existence of spectral differences between crop leaf content by UAV hyperspectroscopy, and modeling based on spectral differences can improve the accuracy of predicting the spatial distribution of nitrogen and phosphorus in cotton leaves in the field.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125419"},"PeriodicalIF":0.0,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142640519","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Aggregation induced emission "Turn on" ultra-low detection of anti-inflammatory drug flufenamic acid in human urine samples by carbon dots derived from bamboo stem waste. 利用竹茎废料提取的碳点聚合诱导发射 "开启 "超低检测人体尿样中的消炎药氟芬那酸。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-02-05 Epub Date: 2024-10-11 DOI: 10.1016/j.saa.2024.125278
Subitha Adaikalapandi, T Daniel Thangadurai, S Sivakumar, D Nataraj, Alex Schechter, Nandakumar Kalarikkal, Sabu Thomas
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