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FOOD RESEARCH INTERNATIONAL · 2024 · IF 7

Analysis of flavor substances changes during fermentation of Chinese spicy cabbage based on GC-IMS and PCA

Wenkui Guo,Meiru Cheng,Xuemei Dong,Chuan Liu,Yu Miao,Peng Du,Hong Chu,Chun Li,Libo Liu

This study employed a combination of principal component analysis (PCA) and gas chromatography-ion mobility spectrometry (GC-IMS) to examine the distinctive taste mixtures produced by Chinese spicy cabbage (CSC) fermented at varying temperatures. As the fermentation progressed, the pH gradually decreased and stabilized after the 11 days of fermentation, and the total content of organic acids and short-chain fatty acids increased. A total of 49 volatile mixtures were detected during CSC fermentation and storage for 21 days. These included 7 aldehydes, 6 alcohols, 7 esters, 6 ketones, 5 pyrazines, 4 sulfides, 4 phenols, 2 ethers, 2 olefins, and 1 acid. With time, the content of most volatile flavor substances decreased. PCA of the signal intensities of the volatile chemicals in the samples showed significant differences in the flavor of CSC fermented at different temperatures; consequently, the samples fermented at different temperatures were effectively separated in relatively independent regions of CSC. Therefore, low-temperature fermentation and storage at 4 °C were more suitable for CSC. Based on the identified volatile chemicals, HS-GC-IMS and PCA could effectively construct the flavour fingerprints of CSC samples. This study provided a theoretical basis for improving the fermentation quality of CSC.

研究领域: 食品科学 · 分析化学
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2021 · IF 4.539

Adsorption and depression mechanism of an eco-friendly depressant PCA onto chalcopyrite and pyrite for the efficiency flotation separation

Xun Wang,Jie Liu,Yimin Zhu,Yuexin Han

At present, it is still a difficulty to separate chalcopyrite from pyrite due to the similar electrochemical properties of the two minerals, which would dilute the grade of copper concentrates and affect the follow process. In this paper, polypropylene carboxylic acid (PCA) was used as an environmentally friendly depressant to efficiently separate pyrite from chalcopyrite, and the separation performance was evaluated by micro-flotation experiments. The results of the flotation experiments showed that PCA could selectively depress the flotation of pyrite rather than that of chalcopyrite when using SBX as the collector, and the optimum separation performance was realized at the reagent scheme of 60 mg/L PCA and 15 mg/L SBX when pH was 8.16. Meanwhile, the selective depression mechanism of PCA on the two minerals was also investigated via a series of surface analyses. The analyzed results indicated that PCA could be chemisorbed on pyrite surface via the Fe sites and impede the further adsorption of SBX, which would intensively enhance the hydrophilicity of pyrite and make it sink into the tailing products even in the presence of SBX. However, the adsorption of PCA on chalcopyrite surface was very weak and SBX could still be chemisorbed on chalcopyrite surface even the chalcopyrite was pre-conditioned with PCA. Therefore, PCA could be selected as the potential depressant for the efficient separation of chalcopyrite from pyrite.

CAS / MDL: 9003-05-8
研究领域: 矿物加工工程 · 环境科学
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JOURNAL OF FOOD PROCESSING AND PRESERVATION · 2022 ·Vol. 46 ·期 5 ·e16550 · IF 2.609

Analysis of volatile organic compounds in black garlic made of garlic bulbs after harvesting blanched garlic leaves at different growth periods based on PCA and headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS)

Zhen Liu,Da-Cheng Kang,Xin-Rui Li,Ling-Xiao Liu,Yun-Guo Liu

In this study, garlic bulbs after harvesting blanched garlic leaves at four different growth periods were used as the main experimental objects, and black garlic was prepared by solid-state fermentation at variable temperatures. The volatile organic compounds and flavor fingerprints of black garlic were analyzed by headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS), and the differences of volatile organic compounds in black garlic were compared by principal component analysis (PCA). The physical and chemical indexes of black garlic changed slightly. As the Maillard reaction went on more thoroughly, the content of 5- HMF in black garlic increased. GC-IMS provided information on the characteristics and intensity of 55 volatile organic compounds (monomers and dimers). The results showed that the relative content of organosulfur compounds in black garlic decreased gradually with the extension of the garlic bulb growth period, which was due to the inherent instability of the organosulfur compounds and more complex compounds being formed as precursors in further reactions. The results by PCA showed that BG0 samples can be well distinguished from BG20 samples. Novelty impact statement In this study, garlic bulbs after harvesting blanched garlic leaves at four different growth periods were used as the main experimental objects, and black garlic was prepared by solid-state fermentation at variable temperatures. The volatile organic compounds and flavor fingerprints of black garlic were analyzed by headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS), and the differences of volatile organic compounds in black garlic were compared by principal component analysis (PCA).

CAS / MDL: 67-56-1
研究领域: 食品科学 · 分析化学 · 农业科学
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JOURNAL OF CULTURAL HERITAGE · 2025 · IF 3.3

Rapid and non-destructive identification of the leather artifacts using FTIR-PCA

Mingrui Zhang,Zonghuan Ba,Jie Liu,Yong Lei,Mǎdǎlina Georgiana Albu Kaya,Keyong Tang

Due to the variations in deterioration and the diversity of tanning processes, the identification of leather artifacts is a challenge. In the present work, a non-destructive and rapid identification method is provided by combining Fourier transform infrared spectroscopy (FTIR) with principal component analysis (PCA). By analyzing a total of 4 types, encompassing with 30 model sets, this method has been proven effective in eliminating interference related to the deterioration and overcoming key obstacles in identifying the leather manufacturing process of the leather artifacts. Two pieces of leather artifacts representing different periods, regions, and animal types were studied using the proposed method. Further high-performance liquid chromatography (HPLC) was performed to verify the identification results and method accuracy. In addition, by evaluating against the models, the alkaline treated sample showed higher reliability compared to the acid treated one. This method effectively addressed the challenges in accurately identifying the leather tanning processes and demonstrated the importance of analyzing and conserving a wider range collagen-based artifacts.

CAS / MDL: 1310-73-2
研究领域: 文物保护 · 化学分析 · 材料科学
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ACS Omega · 2026 · IF 5.2

SERS Combined with PCA-SVM-Based Identification Study of Different Brands of Levetiracetam

Hong Zhang,Nan Li,Wuliji Hasi,Wenjuan Liu

This study addresses critical concerns in epilepsy management regarding generic drug substitution and the bioequivalence risks associated with switching antiepileptic drugs (AEDs). For patients undergoing long-term treatment, precise brand identification of levetiracetam (LEV) holds significant clinical value to ensure therapeutic consistency and safety. To meet this need, we developed a qualitative brand discrimination method based on surface-enhanced Raman spectroscopy (SERS) combined with machine learning. Silver sol was used as the SERS substrate, with potassium iodide as an aggregating agent and Rhodamine 6G (R6G) as an optimized probe. After validating LEV's characteristic Raman peaks through integrated theoretical and experimental approaches, spectra from three commercial LEV brands were analyzed using principal component analysis (PCA) and support vector machine (SVM) classification. The model achieved 100% accuracy, precision, and sensitivity in 10-fold stratified cross-validation, demonstrating robust brand-discrimination capability. Unlike conventional quantitative assays that verify API content but cannot distinguish between different manufacturers, this SERS-based approach detects formulation-specific differencessuch as variations in crystal form and preparation processthrough unique spectral fingerprints. It thus provides a rapid, label-independent tool for brand authentication, batch consistency evaluation, and on-site pharmaceutical screening, effectively complementing pharmacopeial methods. This work supports medication safety and offers a reliable strategy for drug quality control and market surveillance, particularly in preventing counterfeit drugs and ensuring formulation stability in long-term epilepsy therapy.

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International Journal of Analytical Chemistry · 2015 · IF 1

Comparative Analysis of Amino Acids, Nucleosides, and Nucleobases in Thais clavigera from Different Distribution Regions by Using Hydrophilic Interaction Ultra-Performance Liquid Chromatography Coupled with Triple Quadrupole Tandem Mass Spectrometry

Yahui Ge,Yuping Tang,Sheng Guo,Xin Liu,Zhenhua Zhu,Pei Liu,Jin-ao Duan

Thais clavigera, as function food, is distributed widely along the coasts of China. To compare and tap its potentially nutritional and functional values, hydrophilic interaction ultra-performance liquid chromatography coupled with triplequadrupole tandem mass spectrometry (HILIC-UPLC-TQ-MS/MS) was used for simultaneous identification and quantification of amino acids, nucleosides, and nucleobases in the extracts of T. clavigera from 19 sea areas in China, and a PCA was further performed for comparing their content variation in different distribution regions. The total contents of amino acids varied from 116.74 mg/g to 298.58 mg/g being higher than contents of nucleosides and nucleobases that varied from 2.65 mg/g and 20.49 mg/g. Among the habitats, Hainan province had content advantages on others. By PCA, samples collected from different regions were classified into three groups. For specific constituents, lysine accounted for large part of essential amino acids; glycine and taurine also play important roles in the delicate taste and health care function of it. Inosine takes up most of total contents of nucleosides and nucleobases. These results provided good data for establishing quality standard of T. clavigera related products and their further development and utilization.

CAS / MDL: 52-90-4
研究领域: 海洋生物学 · 营养学 · 分析化学
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American Journal of Cancer Research · 2026 ·Vol. 16 ·期 8 ·3433 · IF 3.1

Aryl hydrocarbon receptor-dependent lipid droplet accumulation supports redox homeostasis in hypoxia-induced PCa cells

Yuan Yao,Shanshan Liang,Tianji He,Chenjun Ma,Guotong Gong,Xiang Chen,Jingsong Yu

Tumor cells in hypoxic environments generate large amounts of reactive oxygen species (ROS), and lipid droplets (LDs) play an essential role in maintaining redox homeostasis under these harsh conditions. The aryl hydrocarbon receptor (AhR) is a member of the basic helix-loop-helix (bHLH) transcription factor superfamily that is closely associated with malignant tumor phenotypes. AhR has been shown to drive prostate cancer (PCa) cell growth, but the specific mechanistic basis for this effect remains unclear. In this study, we used a hypoxia-induced PC-3M cell model to explore the molecular pathways through which AhR promotes PCa progression. Significant LD accumulation was observed in hypoxia-induced PC-3M cells, and AhR knockdown inhibited LD formation, supporting a potential role for AhR in this process. AhR-dependent LD formation enhanced the ability of PC-3M cells to adapt to oxidative stress, as evidenced by reduced ROS production and a decreased NADP/NADPH ratio. AhR-dependent LD formation also alleviated mitochondrial dysfunction, as evidenced by increased membrane potential, reduced cell apoptosis, and decreased levels of active caspase-3. Treatment with the LD inhibitor PF-06424439 reversed these protective effects, as did DGAT2 knockdown. Mechanistically, AhR was found to activate the PI3K/AKT pathway through RAB3D, thereby promoting LD formation. Co-immunoprecipitation (Co-IP) experiments demonstrated that CYLD inhibits AhR activity by eliminating the K63-linked ubiquitination of AhR. In summary, under hypoxic conditions, these results indicate that AhR protects PCa cells from ROS-associated toxicity through the induction of LD formation.

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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2026 · IF 5.4

Green and recyclable PCA nanocomposite hydrogel with superior adsorption capacity for cationic dyes in wastewater treatment

Jingxuan Zhao,Huiliang Zhang,Junjia Bian,Zhixin Zhang,Heran Zhao,Mingyu Wang,Yan Zhao,Hongwei Pan

Based on polyacrylic acid (PAA), a novel nanocomposite hydrogel (PCA) was developed by incorporating carboxymethyl cellulose sodium (CMC-Na) and attapulgite (ATP) to synergistically enhance dye adsorption performance. The innovative design leveraged CMC-Na to inhibit ATP aggregation via hydrogen bonding and electrostatic interactions, while improving both dispersion stability and hydrogel hydrophilicity. This modification resulted in a well-defined porous structure, increased specific surface area, enhanced swelling behavior, and superior mechanical integrity. The optimized PCA-4 hydrogel exhibited exceptional adsorption capacities for cationic dyes—486 mg/g for methylene blue (MeB), 442 mg/g for auramine O (AO), 460 mg/g for malachite green (MG), and 450 mg/g for rhodamine B (RB), which significantly outperforming many reported adsorbents. Furthermore, the hydrogel maintained over 80 % removal efficiency after five adsorption-desorption cycles, demonstrating excellent reusability. Its adsorption behavior followed pseudo-first-order kinetics and the Langmuir isotherm model, indicating a physical adsorption-dominated process. This work presents a sustainable, high-performance adsorbent with promising potential for efficient cationic dye removal from wastewater.

CAS / MDL: 9004-32-4 79-10-7
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POLYHEDRON · 2025 · IF 2.6

Design and evaluation of photothermal and chemical multimodal antibacterial agents based on ZIF-8

Jiaojiao Luo,Yifan Liang,Jian-Ying Lin,Huiling Fan

Bacterial infections pose a significant threat to global public health, and the presence of bacterial biofilms complicates the treatment of these infections. Therefore, the development of materials with both antibacterial and antibiofilm properties is crucial. In this study, we designed a composite material that combines chemical and photothermal antibacterial functions using a zeolitic imidazolate framework (ZIF-8) and protocatechuic acid (PCA). PCA-ZIF was synthesized by immersing ZIF-8 in a PCA solution, followed by surface encapsulation with polydopamine (PDA) through dopamine polymerization to enhance its photothermal therapy potential. This process yielded PCA-ZIF@PDA, which can generate localized hyperthermia and gradually release PCA to achieve multimodal antibacterial activity. The structure of the composite was characterized using XRD, FTIR, SEM, and BET, and its photothermal performance under 808 nm laser irradiation, drug release profile, and in vitro antibacterial efficacy were also evaluated. The results indicated that the immersion of PCA did not alter the crystal structure of ZIF-8, however, the polydopamine (PDA) coating significantly reduced its crystallinity. The PCA loading capacities were measured at 253.7 mg⋅g −1 for PCA-ZIF and 209.2 mg⋅g −1 for PCA-ZIF@PDA. The photothermal conversion efficiency of the 1 mg⋅mL −1 sample under 808 nm irradiation was found to be 61.4 %. Under near-infrared irradiation and acidic conditions (pH 5.0), the cumulative drug release from PCA-ZIF@PDA reached 91 % after 12 h. Antibacterial experiments demonstrated that PCA-ZIF@PDA effectively killed E. coli and S. aureus , inhibited their growth, and significantly prevented biofilm formation.

研究领域: 材料科学 · 微生物学 · 药理学
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NEW JOURNAL OF CHEMISTRY · 2019 ·Vol. 43 ·期 36 ·14368-14376 · IF 3.069

A simple and sensitive electrochemical sensor with A-PCA film modified electrode for the determination of metanephrine

Jianfeng Zhou,Ping Wei,Jianbin Pan,Qinghua Mei,Yanli Tong,Haiyun Zhai

A new electrochemical sensor was fabricated for the sensitive and selective detection of metanephrine (MN), based on a glassy carbon electrode (GCE) acidified by sulphuric acid and using an electrodeposition method to form poly caffeic acid (PCA) films. Adding the electrochemical pretreatment to acidify the GCE was conducive to an increase of surface concentrations of C–O functional groups and generation of a rough surface on the modified electrode. Furthermore, the PCA films developed on the GCE surface were advantageous to the significant increase in the electrode surface and more active sites, thus improving the electrocatalytic activity. The proposed electrochemical sensor exhibited high sensitivity, stability and selectivity towards MN. The surface morphology of the acidified poly(caffeic acid) modified GCE (A-PCA/GCE) was characterized by scanning electron microscopy (SEM) showing that the surface of the electrode possesses a rod like structure. Under optimal conditions, the sensor showed a liner proportional response to MN in a wide determination range from 0.5 to 40.0 μM with a detection limit (S/N = 3) of 0.17 μM. Finally, the fabricated sensor was also successfully applied to detect MN in human serum samples, and satisfactory recoveries were obtained.

CAS / MDL: 331-39-5 7439-96-5
研究领域: 分析化学 · 医学检测 · 生物传感
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Analytical Methods · 2016 ·Vol. 9 ·期 1 ·141-148 · IF 1.915

A minimalist Chinese liquor identification system based on a colorimetric sensor array with multiple applications

Li Jia-wei,Hou Chang-jun,Huo Dan-qun,Yang Mei,Zhang Su-yi,Ma Yi,Lin Yang

The components of Chinese liquor are influenced by geographical origins and raw materials. Currently, Chinese liquor identification systems are limited and have a single application that can distinguish only one nature of flavor type and production area. Four chemical reagents were successfully used to build this 3 × 1 simple colorimetric sensor array. This is the first time that a highly accurate colorimetric Chinese liquor sensor array was fabricated using only a few array points. It could distinguish four types of Chinese base liquors from Luzhou Laojiao, nine types of Chinese liquors with different flavor types, and seven types of Chinese liquors from different geographical origins. In order to ensure the accuracy, seven parallel samples were analyzed with water used as a control. PCA proved this sensor array to be effective. In LDA and HCA, every group was clearly classified. The “leave-one-out” cross-validation method was applied with 100% prediction ability in the three experiments. According to the results of the PCA, HCA, LDA, and the “leave-one-out” method, we can deduce that this colorimetric sensor array with multiple applications has great performance in discriminating Chinese liquors.

CAS / MDL: 115-39-9
研究领域: 分析化学 · 食品科学
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ENERGY · 2026 · IF 10.1

Tuning lignin fast pyrolysis with CO2: PCA-guided synchronized fabrication of phenol-rich bio-oil and porous biochar

Yao Tong,Tianhua Yang,Jian Wang,Yingmei Zhai,Shuang Cui,Bingshuo Li,Xingping Kai,Rundong Li

Decoding the decisive role of CO 2 -mediated pyrolysis mechanism is essential for achieving directional biomass conversion and precise product regulation. This study strategically employs CO 2 as a dynamic reaction medium to drive fast pyrolysis of lignin, simultaneously producing phenol-enriched bio-oil and functionalized biochar. CO 2 's multifunctional mechanism during lignin pyrolysis was investigated through multimodal characterization combined with response surface methodology (RSM), principal component analysis (PCA) and t-distributed Stochastic Neighbor Embedding (t-SNE). Results demonstrate that CO 2 participates in radical reactions, catalyses the key demethoxylation step, and triggers the Boudouard reaction, simultaneously achieving enrichment of phenolic compounds in bio-oil (reaching 62.07% phenolic content under optimal conditions) and significant development of biochar pore structure (with specific surface area increasing up to 3.6-fold). Under conditions of 537 °C, 97 s, and 40% CO 2 , bio-oil yield reached 12.8 wt%, oxygen content decreased by 38%, and the yield of the high-value-added product 4-vinylphenol exceeded 18%. This study quantitatively revealed for the first time through PCA the non-linear regulatory effect of CO 2 concentration on pyrolysis reaction pathways, constructing a reaction network involving CO 2 . This provides theoretical basis and process references for directed pyrolysis of lignin and high-value utilisation of CO 2 . Furthermore, self-derived biochar was engineered into a bifunctional catalyst, further expanding the valorization strategy.

CAS / MDL: 75-09-2
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