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DYES AND PIGMENTS · 2019 · IF 4.018

An AIE dye based smartphone and LDA integrated portable, intelligent and rapid detection system as trace water indicator and cyanide detector

Linfeng Chen,Xike Tian,Yong Li,Chao Yang,Liqiang Lu,Zhaoxin Zhou,Yulun Nie

Portable, rapid, accurate and on-site detection of analysis target has always been the goal of continuous efforts in the field of analysis. In this work, a novel intelligent and rapid detection system based on an AIE dye (TPA-DCV) was established for portable and on-site detection of trace water in organic solvents and CN − in water by integrating the smartphone and linear discriminant analysis (LDA). The TPA-DCV displayed remarkable solvatochromism effect and showed different fluorescence colors to different water contents of different solvents, with the minimum detection limit of 54 ppm. In addition, TPA-DCV also exhibited specific response to CN − , and showed significant fluorescence changes to different amounts of CN − . With the assist of this detection system, these different fluorescence color signals could be accurately classified in canonical score plot. What's more, the classification and distribution of fluorescence color in canonical score plot showed regular change with the target concentration, which could be used to quantify the trace water and CN − . The rationality and practicability of this detection system were preliminary verified by a large number of real sample analyses. This detection system greatly simplifies the analysis process, which is in the proof of intelligent and rapid detection just using a simple color analysis without any instrument test, which may be a big step forward.

研究领域: 分析化学 · 环境科学 · 生物医学工程
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY · 2014 · IF 3.107

Discrimination of Chinese Teas with Different Fermentation Degrees by Stepwise Linear Discriminant Analysis (S-LDA) of the Chemical Compounds

Quan-Jin Wu,Qing-Hua Dong,Wei-Jiang Sun,Yan Huang,Qiong-Qiong Wang,Wei-Long Zhou

This study aimed to construct objective and accurate analytical models of tea categories based on their polyphenols and caffeine. A total of 522 tea samples of 4 commonly consumed teas with different fermentation degrees (green tea, white tea, oolong tea, and black tea) were analyzed by high-performance liquid chromatography (HPLC) coupled with spectrophotometry, utilizing ISO 14502, as analytical tools. The content of polyphenols and caffeine varied significantly according to differently fermented teas, indicating that these active constituents may discriminate fermentation degrees effectively. By principal component analysis (PCA) and stepwise linear discriminant analysis (S-LDA), the vast majority of tea samples could be successfully differentiated according to their chemical markers. This study yielded three discriminant functions with the capacity to simultaneously discriminate the four tea categories with a 97.8% correct rate. In classification of oolong and other teas, there were one discriminant function and two equations with best discriminant capacity. Furthermore, the classification of different degrees of fermentation of oolong and external validation achieved the desired results. It is suggested that polyphenols and caffeine are the distinct variables to establish internationally recognized models of teas.

研究领域: 食品科学 · 分析化学 · 植物学
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Analytical Methods · 2025 · IF 2.6

An oxidase-like nanozyme-based sensor array for the specific detection and discrimination of catechins

Lijun Yang,Zhiyi Zhang,Tiantian Zhou,Wei Qi,Mengfan Wang

In this study, a nanozyme-based sensor array was developed to achieve the identification and discrimination of three catechins (catechin, epicatechin, and epigallocatechin). The Fc@ZIF-67 NC nanozyme was synthesized with oxidase-like activity through the high-temperature carbonization of ferrocene-encapsulated ZIF-67. Two Fc@ZIF-67 NC-involved oxidase-like reactions were designed to generate three detectable signals (including two colorimetric signals and one fluorescent signal), which constituted the fingerprints of the analytes. By combining with linear discriminant analysis (LDA), different kinds and concentrations of catechins can be discriminated with this sensor array. Besides, the sensor array was proved feasible in the identification of catechins in real samples. This method provides a promising methodology for the discrimination and identification of natural products in food.

研究领域: 食品科学 · 分析化学 · 生物技术
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JOURNAL OF FOOD QUALITY · 2020 · IF 1.763

Profiles of Sugar and Organic Acid of Fruit Juices: A Comparative Study and Implication for Authentication

Jiaxiu Li,Chunling Zhang,Hui Liu,Jiechao Liu,Zhonggao Jiao

A comparison of sugar and organic acid profiles among different fruit juices (including apple, pear, peach, grape, sweet cherry, strawberry, and blueberry with various varieties) was performed to assess the possibility for authentication coupled with chemometrics. It was found that the distribution of each sugar and organic acid in juices showed some specific characteristics related to fruit species, despite the fact that great differences in the content existed among different varieties. Sucrose was the most abundant sugar in peach juice, accounting for 58.26–77.11% of the total sugar content. However, in grape, blueberry, and sweet cherry juice, glucose and fructose were the predominant sugars. Pear juice contained the highest level of sorbitol, which contributed to 15.02–43.07% of the total sugar content. Tartaric acid was detected only in grape juice among the seven species of fruit juice, with a proportion of 57.95–89.68% in the total acid content. Malic acid was the predominant organic acid in apple and sweet cherry juice, accounting for 69.92–88.30% and 97.51–98.73% of the total acid content of each species. Citric acid was the predominant organic acid in strawberry and blueberry juice, which contributed to 62.39–83.73% and 73.36–89.56% of the total acid content of each species. With the aid of principal component analysis and linear discriminant analysis (LDA), the juice samples could be successfully classified according to fruit species by using the sugar and/or organic acid composition as analytical data. Combination of sugar and organic acid composition gave the best differentiation of these seven species of juices, with a 100% correct classification rate for both the original and the cross-validation method in LDA. Adding malic/citric into the dataset of the organic acid content may also improve the differentiation effect. Furthermore, the adulteration of sweet cherry juice, blueberry juice, raspberry juice, and grape juice with apple juice, pear juice, or peach juice could also be distinguished from their corresponding pure juices based on sugar and organic acid composition by LDA.

CAS / MDL: 23411-34-9
研究领域: 食品科学 · 化学计量学
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Food Analytical Methods · 2023 ·Vol. 17 ·期 2 ·309-321 · IF 2.9

Rapid Discrimination of Pork Contaminated with Different Pathogens by Using SERS

Chen Yahui,Peng Yankun,Guo Qinghui,Zhuang Qibin,Zuo Jiewen,Zhao Xinlong

Escherichia coli , Salmonella , and Listeria monocytogenes are three of the most common foodborne pathogens found in pork. SERS technology enables the rapid acquisition of molecular information by harnessing the synergistic effect of Raman scattering and enhanced substrate surface plasmonics. However, because of the similar chemical composition between bacteria and between pathogens and pork, it is difficult to discriminate pork contaminated with different pathogens. In view of this problem, Raman spectra of three bacteria, bacteria mixtures, and fresh pork contaminated with three pathogens were obtained by using Au @Ag NPs as the enhancement substrate. After data pretreatment, Raman characteristics of pathogens were analyzed by the PCA. PLS-DA and SVM-DA classifiers were employed to discriminate the feature data. To reduce the impact of sample variations on the modeling results, the influence of three data standardization methods, SNV, max-normalization, and area-normalization, on the predictive ability of the models was discussed. The predicted results demonstrated that SVM-DA, combining with SNV, achieved superior discrimination for bacteria mixtures. The sensitivity, specificity, and accuracy of prediction validation were all above 0.93. When PLS-DA was combined with normalization techniques, better results were obtained for discriminating pork contaminated with different bacteria. In the predictive discriminant analysis, the classification accuracy reached 0.85. This work not only achieved rapid discrimination of biological cells in complex environments but also improved the accuracy of the classification model, providing a feasible idea for the analysis of pork contaminated with microorganism based on SERS by incorporating stoichiometric methods.

研究领域: 食品安全 · 分析化学 · 光谱学 · 微生物学 · 化学计量学
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JOURNAL OF FLUORESCENCE · 2025 · IF 3.1

Development of RhB@CdMOF-based Fluorescent Sensor Array for Discrimination of BTEX

Guo Zongning,Zeng Shaohan,Zhang Hui,Zhang Xiaolin,Wang Shouhui,Hu Jiwan,Huang Xuelin,Yang Li,Jiao Zhe

Benzene, toluene ethylbenzene and xylene (BTEX), known for their high toxicity and volatility, are key targets for air quality monitoring. Fluorescent probes based on the luminescence intensity of one transition is not efficient for probing BTEX. In this work, we have synthesized a luminescent RhB@MOF sensor array to realize the probing of different BETX by excellent fingerprint correlation between the BTEX and emission peak-height ratio of ligand to dye moieties. Three kinds of RhB@MOF were synthesized simultaneously by varying concentrations of Rhodamine B (RhB) in the solvothermal reaction of (E)-4-(2-carboxyvinyl)benzoic acid (H 2 L) and Cd(NO 3 ) 2 ·4H 2 O (RhB@MOF1, RhB@MOF2, RhB@MOF3). These sensors exhibited two characteristic emission peaks at 430 nm for the host CdMOF and 570 nm for guest RhB, and the emission peak height ratio I 430 /I 570 were constant for each RhB@MOF. Upon reaction with BTEX, due to gap-gap reaction between ligand and different BETX as well as the different swelling effect of BTEX on RhB, the two emission peaks height ratio of three kinds of RhB@MOF showed specific change to different BTEX. The sensor array exhibited a unique pattern of fluorescence variations of BTEX. Principal component analysis (PCA) was applied and achieved complete separation of BTEX. Linear discriminant analysis (LDA) was then applied to discriminate between individual, binary, ternary, and quaternary mixtures of BTEX, resulting in a 100% accuracy rate. Further study also indicated that concentration gradients did not affect the clustering outcomes of BTEX. Compared to traditional methods, the developed fluorescent sensor array offered a more efficient and economical strategy for the identification of BTEX.

研究领域: 化学传感 · 环境监测 · 材料科学
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SENSORS AND ACTUATORS B-CHEMICAL · 2020 · IF 7.1

Cataluminescence strategy for rapid identification of sunscreen cosmetics based on its characteristic composition served as catalyst

Yanhui Zhong,Zhaoxia Shi,Taoxiao Wen,Xiaohua Xiao,Gongke Li,Yufei Hu

In this work, a novel cataluminescence(CTL) strategy was developed for fast differentiation of sunscreen cosmetics. The CTL reactions occurring on the surface of sunscreen cosmetics whose characteristic composition served as catalyst. Normalization methodology was utilized to process sensor array signals, we developed a dimensionless quantity called “relative signal ( S kr )” to characterize the sensor response. Firstly, aldehydes are eligible for triggering CTL reactions on the surface of TiO 2 , so they served as probe in the CTL sensor. Then, with four aldehydes as sensor elements, the obtained four S kr of a catalytic material constitute as digital code for rapid screening of nanomaterials. Further, the CTL S kr of different brands and colors of sunscreen cosmetics were obtained. The CTL S kr functioned as digital code which can be used to distinguish sunscreen cosmetics. Intersecting, the CTL signals of the array could be applied to normalize, and identify sunscreen cosmetics of different brands and colors through linear discrimination analysis (LDA). It provides a rapid and convenience platform for distinguishing sunscreen cosmetics, and avoid cumbersome sample preparation. The strategy is a new idea for rapid distinguishing the complex samples based on its special ingredient.

研究领域: 分析化学 · 材料科学
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ACS Omega · 2021 · IF 3.512

“Turn-Off” Supramolecular Fluorescence Array Sensor for Heavy Metal Ion Identification

Qin Wang,Kai-Ni Wei,Shu-Zhen Huang,Qing Tang,Zhu Tao,Ying Huang

A “turn-off” supramolecular fluorescence array sensor based on the host–guest complexes between fluorescence dyes and cucurbit[n]urils for sensing metal ions was developed. Three fluorescent probes (RhB@Q[7], H33342@2Q[7], and BRE@Q[7]) were used as the sensing units to construct a supramolecular fluorescence array sensor. The binding ability of the metal ions and cucurbituril-dye probes varied; therefore, the probes and metal ions produced different fluorescence responses. When combined with linear discriminant analysis (LDA), the qualitative and quantitative detection of seven metal ions was achieved. In analytical samples, the supramolecular fluorescence array sensor recognized and distinguish seven metal ions. These results provided new research ideas for the rapid analysis and real-time monitoring of different heavy metal ions.

研究领域: 分析化学 · 环境科学
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ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH · 2022 ·Vol. 30 ·期 9 ·24470-24478 · IF 5.19

Source and composition analysis of petroleum hydrocarbons in the refinery circulating water

Ma Ge,Xiao Han,Wei Xinming,Xiao Anshan,Sun Xiaoying,Gao Xiang

Oil leakage from water coolers in refinery circulating water occurs from time to time, which affects the long-term and stable operation of refinery units. So far, workers in the refineries still adopt manual check methods, opening water coolers one by one and checking the water’s smell and color to find out the spilled water coolers. In this study, a more rapid method of source appointment of oil spill in the circulating water by combining chemical fingerprinting with model recognition was developed. Firstly, chemical fingerprints including benzene/naphthalene series, and light hydrocarbon (C 3 -C 5 ) in oil samples from all water coolers in the refinery fluid catalytic cracking (FCC) unit were analyzed by gas chromatography-mass spectrometry (GC/MS). Gasoline, diesel, and poor oil could be distinguished in terms of benzene and naphthalene distribution. The three similar types of gasolines could be distinguished by the volatile hydrocarbons especially C 3 -C 4 . The classification model for the spill of gasoline, diesel, and poor oil in circulating water was constructed by the partial least squares discriminant analysis algorithm with a 100% correct classification rate at the concentration more than 10 ppm. The gasoline spills in the circulating backwater of the refinery were successfully recognized by the classification model. This method enables the rapid prediction of oil spill type in refinery circulating water, and a similar method by installing online instrument and software potentially can be used for monitoring the circulating water in real time.

研究领域: 环境科学 · 石油化工
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2023 · IF 3.4

Multidimensional isotope analysis of carbon, hydrogen, and oxygen as a tool for traceability of lactose in drug products

Yu-ye Wang,Fan Yang,Jian Chen,Ying-jian Li,Jia Zhou,Xia Qing,Dong Yan,Xin Lu,Peng Zhou,Li Zhang

Lactose is one of the most commonly used pharmaceutical excipients . Depending on manufactures, the properties of lactose are very different, which could impact the pharmacokinetic behavior of drug products. Therefore, it is very important to trace the origin of pharmaceutical lactose in drug products which is valuable for prescription analysis. In this study, the carbon, hydrogen and oxygen isotope ratios ( δ 13 C, δ 2 H and δ 18 O) of thirty-four lactose from seven manufacturers were analyzed by elemental analysis-stable isotope ratio mass spectrometry (EA-IRMS). One-way analysis of variance (ANOVA) and Duncan's test indicated significant differences in isotope ratios of lactose from different origins. To identify the lactose manufacturer, a discrimination model was generated through linear discriminant analysis (LDA). Based on this model, the manufacturers of lactose used in three drug products were successfully identified. Our results suggested that the multidimensional analysis of δ 13 C, δ 2 H and δ 18 O of lactose provided a fast and effective method to trace the lactose manufacturer. In conclusion, this method can be used to analyze the prescription of the drug product quickly, which could speed up the development of generic drug product.

CAS / MDL: 64-17-5
研究领域: 药学 · 分析化学
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MICROCHIMICA ACTA · 2021 ·Vol. 188 ·期 4 ·1-9 · IF 5.833

Visual detection of multiple antioxidants based on three chloroauric acid/Au-Ag nanocubes

Li Li,Li Siqun,Yu Xinjie,Chen Zhengbo

A colorimetric sensing method is described for discrimination of multiple antioxidants based on core-shell Au@Ag nanocubes (NCs). In order to extract data-rich colorimetric responses from the sensor array, three different concentrations of chloroaurate acid (HAuCl 4 ) were employed as sensing elements. Interestingly, Au 3+ ions can be reduced to different valence states (i.e., Au(0) and Au(I)) by different antioxidants, and thus effectively inhibit the oxidation etching process of Au@Ag NCs by Au(III) ions to varying extents, generating diverse colorimetric responses (color and absorbance). This enables identification of the six antioxidants at 10 nM via linear discriminant analysis (LDA) with relative standard deviation (RSD) of 2.52% ( n  = 3). The discrimination ability of the sensor array was further evaluated in antioxidant binary and multicomponent mixtures. Remarkably, identification of these six antioxidants spiked in urine was realized with 100% of accuracy. Graphical abstract Schematic presentation of colorimetric assay for antioxidants based on three chloroauric acid/Au-Ag nanocubes.

研究领域: 分析化学 · 纳米技术 · 生物医学工程
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JOURNAL OF MOLECULAR RECOGNITION · 2021 ·Vol. 34 ·期 11 ·e2919 · IF 2.137

Gold nanoparticles-mediated fluorescent chemical nose sensor for pathogenic diagnosis and phenotype

Yuanyuan Shen,Feifei Lei,Tian Meng,Chaoyang Li,Zhiqing Yang,Jiaomei Huang,Fengge Song,Yi Wan

Pathogens are one of the important factors affecting national economic construction. An ideal detection system for pathogen control with excellent sensitivity, high specificity, and time-saving is needed. Here, we reported a method for bacterial detection using gold nanoparticles-mediated fluorescent “chemical nose” sensors (GFCEs). The technique consists of gold nanoparticles-coated magnetic particle using benzaldehyde, octyl aldehyde, and pyrimidine-4-formaldehyde modified, respectively. And these positively charged nanocompound interacting with three different fluorescent proteins (FPs) to form three kinds of GFCEs, respectively, named GFCE1, GFCE2, and GFCE3. Upon binding with pathogenic cells, functionalized gold nanoparticles could identify patches on hydrophobic/functional surfaces of microorganisms, and self-assemble with living bacteria by complementary electrostatic interactions. The binding ability between GFCEs and bacteria determines the change of fluorescence response of three FPs from GFCEs. These feature fluorescent level are pathogen-specific, highly repeatable, and can be analyzed by Linear Discriminant Analysis (LDA). The combination of GFCE1 and GFCE2 has the best performance when detecting pathogens with concentrations of 10 6 cfu mL −1 . The first discriminant within 15 minutes is 93.8%, which could be used for subsequent identification of unknown samples. The commonly applicable system provides a simple way for the rapid bacterial detection without preprocessing procedures.

研究领域: 微生物学 · 生物传感技术 · 医学诊断
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