Article
Chemistry, Analytical
Bai Xue, Glenn Cloud, Sergey Vishnyakov, Zubin Mehta, Evan Ramer, Feng Jin, Meiping Song, Chein- Chang
Summary: A novel method for NIR spectroscopy spectra standardization is proposed in this paper. Most existing methods for standardization require spectral data sets from both primary and secondary instruments for validation, which limits their usage. This paper investigates the issue of spectrum data order and develops a different approach based on statistical signal processing. The developed method compensates for distortion and transfers the second order statistic from the primal spectra to the secondary spectra, allowing estimation regardless of the sample statistic order. Application-driven experiments and a comparison to PDS are conducted to demonstrate the extended usage of the method in NIR spectra standardization.
ANALYTICA CHIMICA ACTA
(2023)
Article
Biochemistry & Molecular Biology
Hui Zhang, Haining Tan, Boran Lin, Xiangchun Yang, Zhongyu Sun, Liang Zhong, Lele Gao, Lian Li, Qin Dong, Lei Nie, Hengchang Zang
Summary: Given the labor-consuming nature of model establishment, model transfer has become a considerable topic in the study of near-infrared (NIR) spectroscopy. To expand model applicability, a new methodology based on improved principal component analysis (IPCA) is proposed for calibration transfer between different types of spectrometers. The proposed method enables improvements in prediction ability rather than the degradation of the models built with original micro spectra.
Article
Chemistry, Analytical
Xiting Sun, Peng Zhang, Ziwei Shen, Hongfu Yuan, Chunfeng Song, Xiaolin Han, Yuan Xiu, Zhi Lv, Aiqin Hu
Summary: A novel approach for spectral standardization by piecewise cosine spectra (cosSSM) was proposed to address the issue of inter-channel spectral differences in an online multi-channel spectrometer. The cosSSM effectively eliminated the adverse effect of spectral variation on the channel-specific PLS model, showing comparable performance to the well-established PDS method and easy implementation in practical application.
VIBRATIONAL SPECTROSCOPY
(2021)
Article
Chemistry, Analytical
Dengshan Li, Lina Li
Summary: This study proposes a novel hybrid calibration transfer method, named DS-AE, which combines direct standardization (DS) and autoencoder (AE) for nonlinear dimensionality reduction, to correct the spectral differences measured on different near-infrared (NIR) instruments. DS is used to eliminate the preliminary spectral difference between the master and slave instruments, and AE is used to extract spectral features for constructing the partial least squares (PLS) calibration model. Compared with linear dimensionality reduction methods, AE learns more latent features that can better reflect the chemical information of the samples.
ANALYTICAL LETTERS
(2023)
Article
Agronomy
Lisha Li, Bin Li, Xiaogang Jiang, Yande Liu
Summary: This study proposes a new strategy for standard-free calibration transfer based on near-infrared spectroscopy, which utilizes wavelength selection and transfer learning algorithms to transfer models between different instruments. The results show that the MEDA-REA model achieves higher prediction accuracy, and the REA method has the potential to filter wavebands and simplify the model.
Article
Plant Sciences
Zheyu Zhang, Yaoxiang Li, Ying Li
Summary: In this study, a new deep transfer learning method was proposed for predicting wood density with different moisture contents. The method achieved good results in sample transfer and feature extraction by considering the complex external factors in actual production.
FRONTIERS IN PLANT SCIENCE
(2022)
Article
Automation & Control Systems
Lakshmi Alagappan, Jia En Chu, Joanna Huixin Chua, Jia Wen Ding, Ronghui Xiao, Zhe Yu, Kun Pan, Untzizu Elejalde, Kevin Junliang Lim, Limsoon Wong
Summary: In this study, a new classification and correction technique called CSCAC is proposed, which can simultaneously correct batch effects, perform multi-class classification, and detect new classes. The effectiveness of the method is demonstrated through classification experiments on different types of oils.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2023)
Article
Agriculture, Multidisciplinary
Lisha Li, Xiaogang Jang, Bin Li, Yande Liu
Summary: This study proposed a new relative-error-analysis (REA) wavelength selection method based on relative errors to improve the model's robustness by eliminating bands with large deviations, aiming to simplify the model and enhance prediction accuracy.
COMPUTERS AND ELECTRONICS IN AGRICULTURE
(2021)
Article
Chemistry, Multidisciplinary
Cheng Guo, Jin Zhang, Wensheng Cai, Xueguang Shao
Summary: This study investigates the transferability of NIR models between different fruits using two case studies. A model for predicting strawberry soluble solids content (SSC) was established with acceptable accuracy, but directly applying this model to grape and apple spectra led to degraded performance. Spectral preprocessing improved predictions, but bias remained. Calibration transfer using SS-PFCE and PLS correction was found to effectively improve the prediction of grape and apple spectra. Therefore, calibration transfer may be a feasible way to improve the transferability of NIR models for multiple fruits.
APPLIED SCIENCES-BASEL
(2023)
Article
Automation & Control Systems
Xien Yin Yap, Kim Seng Chia, Nur Aisyah Syafinaz Suarin
Summary: The study evaluated the feasibility of an adaptive ANN in transferring the ANN model from primary to secondary instruments, showing that the AANN significantly reduces the computation cost of calibration models.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2022)
Article
Spectroscopy
Jin Zhang, Xu Zhou, Boyan Li
Summary: The updated version of the parameter free calibration enhancement (PFCE) framework, PFCE2, is proposed to address the challenges in calibration transfer, maintenance, and enhancement in near-infrared spectroscopy. The new L2 and L1 constraints introduced in PFCE2 result in more accurate and robust predictions compared to the Corr constraint, especially with a small standard sample size. Moreover, the multitask PFCE (MT-PFCE) method improves model performance by refining all models in the involved scenarios at once.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Analytical
Wen Xiao-Yan, Xu Yan-Yan, Li Mao-Gang, Zhang Tian-Long, Tang Hong-Sheng, Li Hua
Summary: The study investigated the transfer performance of NIR spectrometry quantitative analysis model for methanol gasoline based on the PDS algorithm. The results showed that the PDS-PLS model had a significant improvement in prediction performance compared to other PLS models, indicating it is a simple and efficient model transfer method for NIR quantitative analysis of methanol gasoline.
CHINESE JOURNAL OF ANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Analytical
Mark Schoot, Martin Alewijn, Yannick Weesepoel, Judith Mueller-Maatsch, Christiaan Kapper, Geert Postma, Lutgarde Buydens, Jeroen Jansen
Summary: Many industries are shifting towards using handheld spectroscopic devices for on-site analysis. This study presents a novel chemometric method to estimate the prediction performance of handheld NIR hardware and applies it to evaluate the performance of two commercially available handheld NIR technologies in predicting protein content in pig feed. The results show that adjusting benchtop data to the handheld device's wavelength range and resolution can lead to overly optimistic estimates of the handheld performances.
ANALYTICA CHIMICA ACTA
(2022)
Article
Instruments & Instrumentation
Zhuopin Xu, Pengfei Zhang, Qi Wang, Shuang Fan, Weimin Cheng, Jie Liu, Haiping Wang, Binmei Liu, Yuejin Wu
Summary: The calibration transfer of qualitative models is crucial for the application and popularization of near-infrared spectroscopy (NIRS) in agriculture. This study evaluated and compared the performances of various wavelength selection methods in the transfer of qualitative models under different pretreatment conditions and transfer algorithms. The results showed that the correlation analysis-based wavelength selection (CAWS) method exhibited the best transfer efficiency among the compared methods.
INFRARED PHYSICS & TECHNOLOGY
(2022)
Review
Chemistry, Analytical
Puneet Mishra, Ramin Nikzad-Langerodi, Federico Marini, Jean Michel Roger, Alessandra Biancolillo, Douglas N. Rutledge, Santosh Lohumi
Summary: Calibration transfer (CT) involves chemometric techniques for transferring calibration models between spectrometers. Recent advancements have introduced new concepts for standard-free CT, showing potential for enhancing the sharing of calibration models between analytical devices.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Analytical
Yujia Ying, Huilin Li
Summary: Enzymes play a crucial role as biological catalysts in accelerating biochemical reactions in living organisms. This study proposes a convenient method for monitoring enzymatic catalytic processes using native top-down mass spectrometry. By exploring the heterogeneity of the chymotrypsin sample and using tandem mass spectrometry, the researchers were able to monitor covalent and noncovalent enzymatic complexes, substrates, and products during catalysis. The results demonstrate that this method has the potential to be a promising tool for characterizing biocatalysts.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Kang Yang, Shuaibo Shi, Jinyu Wu, Shaolong Han, Shengdi Tai, Shishen Zhang, Kun Zhang
Summary: H2O and D2O are important analogues closely related to various industries and monitoring fields. This study successfully distinguishes and detects H2O and D2O by designing a novel eu(III)-macrocycle with dual emitters, Eu-2a, and conducting fluorescence titration experiments.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Julia Kuligowski, Alvaro Perez-Rubio, Marta Moreno-Torres, Polina Soluyanova, Judith Perez-Rojas, Ivan Rienda, David Perez-Guaita, Eugenia Pareja, Ramon Trullenque-Juan, Jose Castell, Marcha Verheijen, Florian Caiment, Ramiro Jover, Guillermo Quintas
Summary: This study introduces a novel variable selection approach called cluster PLS (c-PLS) to assess the joint impact of variable groups selected based on biological characteristics on the predictive performance of a multivariate model. The usefulness of c-PLS is shown using miRNomic and metabolomic datasets obtained from the analysis of liver tissue biopsies.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Meixue Lai, Lijie Zhong, Siyi Liu, Yitian Tang, Tingting Han, Huali Deng, Yu Bao, Yingming Ma, Wei Wang, Li Niu, Shiyu Gan
Summary: This study presents a method for constructing wearable sweat electrolyte sensors using carbon fiber-based solid-contact ion-selective electrodes (SC-ISEs). By using carbon fibers extracted from commercial cloth as electrode material, the cost and reproducibility issues of flexible SC-ISEs were addressed. The results showed that the carbon fiber-based SC-ISEs exhibited reversible voltammetric and stable impedance performances, and had high reproducibility of standard potentials between normal and bending states.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Ke Yang, Ying Liu, Min Deng, Peipei Wang, Dan Cheng, Songjiao Li, Longwei He
Summary: A near-infrared fluorescent probe has been developed to accurately measure the levels of peroxynitrite (ONOO-) in the endoplasmic reticulum (ER) in acute lung injury (ALI). The probe demonstrated rapid response, high selectivity, good sensitivity, and enhanced fluorescence intensity in response to ONOO-. It was successfully used to detect changes in ONOO- levels and showed significant increases in an ALI cell model and an ALI mouse model.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Yanping Wang, Yuemei Chen, Kejun Li, Jinrong Zhou, Xin Yuan, Mei Zhang, Ke Huang
Summary: In this work, a portable analytical system based on point discharge chemical vapor generation atomic emission spectrometry (PD-CVG-AES) coupling with gold filament enrichment was designed. The highly sensitive analysis of Hg2+ indirectly realized the detection of ascorbic acid (AA). The measurement is based on the fact that Ag+ can decrease the concentration of Hg2+ by forming Ag-Hg amalgam in the presence of the reductant SnCl2, while AA can pre-reduce Ag+ to Ag0, leading to the generation of silver nanoparticles (Ag NPs). The developed novel analytical strategy broadens the application of microplasma-based AES and offers a higher level of sensitivity compared to current AA detection techniques.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Yundi Huang, Bo Song, Kaiwen Chen, Deshu Kong, Jingli Yuan
Summary: This study developed two lysosome-targetable background-free TGL probes for efficient and accurate detection of 1O2, which can be used for monitoring endogenous 1O2 concentrations in lysosomes and discriminating variability induced by different photosensitizers. Furthermore, a smart luminescent sensor film was successfully prepared for on-site 1O2 production detection during PDT processes, offering a promising clinical monitoring tool for skin diseases.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Wei Lang, Jia-Mei Qin, Qian-Yong Cao
Summary: A novel polymer-based probe P1 was successfully synthesized for fluorescently ratiometric sensing of H2S with high selectivity and sensitivity. A smartphone sensing platform was constructed to conduct visual quantitative detection of H2S. P1 can be employed in evaluating the level fluctuations of H2S in living cells, testing water samples/wine samples, and monitoring food freshness.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Yuanyuan Qin, Shuda Liu, Shuyun Meng, Dong Liu, Tianyan You
Summary: The study developed a split aptamer-based sandwich-type ratiometric biosensor for the detection of 17 beta-estradiol (E2) using photoelectrochemical and electrochemical assays. The biosensor utilized split aptamer fragments to recognize E2 and trigger a hybridization chain reaction, resulting in the production of double-stranded DNA labeled with CdTe quantum dots. This DNA complex was able to sensitize CdTe quantum dots and generate response signals for E2 detection. The developed biosensor demonstrated high sensitivity and accuracy with two linear ranges and low detection limits.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Siriwan Teepoo, Jongjit Jantra, Khaunnapa Panapong, David Taiwo Ajayi
Summary: A novel immunochromatographic assay based on hyperbranched Au plasmonic blackbodies with a smartphone readout was developed for rapid and sensitive detection of leucomalachite green residues in fish and shrimp products.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Andrea L. Larraga-Urdaz, Borja Moreira-Alvarez, Jorge Ruiz Encinar, Jose M. Costa-Fernandez, Maria Luisa Fernandez-Sanchez
Summary: A major challenge in the 21st century is the development of point-of-care diagnostic tools. In this study, a highly sensitive and simple bioassay using AuNPs and MNAzymes was developed for rapid detection and quantification of miRNA-4739. The proposed strategy shows potential for breast cancer diagnosis.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Xiaohan Zhao, Anyu Wang, Lingzi Zhai, Jiuhe Gao, Sizhe Lyu, Yingshan Jiang, Tian Zhong, Ying Xiao, Xi Yu
Summary: A novel method using polystyrene-coated magnetic nanoparticles for extracting monohydroxy polycyclic aromatic hydrocarbons from urine samples was investigated. The proposed method is simple, sensitive, and efficient, with desirable sensitivity for analyzing low-abundance metabolites in large volumes of complex urine samples.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Ke Quan, Yuqing Zeng, Wenke Zhang, Fengfeng Li, Mengjiao Li, Zhihe Qing, Linlin Wu
Summary: In this study, a visual and reusable biosensor was developed for detecting substrates that are closely associated with human physiological health. The immobilized oxidase showed higher stability and sensitivity under harsh conditions, enabling reliable detection of substrates in complex fluids.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Dongjuan Wang, Xiuqian Ding, Jinling Xie, Juan Wang, Guanhao Li, Xin Zhou
Summary: In this study, a three-in-one sensor was developed for real-time detection of biogenic amines (BAs) with high sensitivity and selectivity. The sensor showed multimodal responses and could be used to fabricate portable devices for on-site non-destructive assessment of food spoilage indicators.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Jinting Meng, Zihao Xu, Shasha Zheng, Hongqun Yang, Tianfu Wang, Hong Wang, Yingwei Zhang
Summary: This study demonstrates the development of a cascade signal amplification system using a multi-pedal DNA walker and strand displacement reactions for the electrochemical detection of miRNA-155. The biosensor exhibited high sensitivity, selectivity, and the potential for clinical applications.
ANALYTICA CHIMICA ACTA
(2024)