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ANALYTICAL LETTERS · 2019 · IF 1.248

Quality Control of Gastrodia elata by High-Performance Liquid Chromatography with Fluorescence Detection (HPLC–FLD) and Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA)

Bocheng Yu,Zhen Li,Jinyi Wu,Jiamin Ying,Yuqing Tang,Bingchu Wu,Chunlan Tang,Jinyan Xu

A high-performance liquid chromatography with fluorescence detection (HPLC–FLD) and principal component analysis (PCA) and hierarchical cluster analysis (HCA) were developed for the quality control of Gastrodia elata. The developed protocols were successfully applied to the analysis and evaluation of 47 batches of this material from eight regions. A standard fluorescence fingerprint for G. elata was established based on 12 common peaks measured in all samples and the similarities between sample fingerprints and standard fingerprint were almost greater than 0.85. The results of PCA and HCA analysis showed that the samples from the eight regions could be classified into three groups. The correlation between the fingerprints and antioxidant activities was investigated by a stepwise regression model and Pearson correlation analysis. Gastrodigenin and parishin E were screened and validated as potential antioxidant markers of G. elata. This study provides a valuable reference for the evaluation of G. elata and other herbal medicines or their related foods.

CAS / MDL: 64-18-6
研究领域: 中药学 · 分析化学
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SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY · 2024 · IF 4.3

Rapid detection of thiram on apple surfaces using a flexible and sticky SERS substrate coupled with chemometric methods

Sasa Peng,Zhilong Zhang,Jialin Guo,Tianchen Ma,Dongli Liu

In this paper, we developed a simple, rapid and sensitive method for detection of thiram on apple surfaces by surface enhance Raman spectroscopy (SERS) combined with chemometric methods. Ag NCs (Ag nanocubes) were firstly prepared by a sulfide-mediated polyol method. Then the flexible and adhesive Ag NCs@PDMS substrates were obtained by combining Ag NCs self-assembled films with PDMS films. Thiram residues on apple surfaces were transferred to the substrate using adhesion properties of Ag NCs@PDMS. And the SERS spectra were obtained by Raman microscopy and analyzed with chemometric methods. The results were analyzed by principal component analysis (PCA), for the limit of detection (LOD) of thriam on apple surfaces was 0.01 ppm. Principal component regression (PCR) and partial least squares regression (PLSR) were explored to develop quantitative models. Both models represented higher correlation coefficients (close to 1), but PLSR models exhibited better predictive performance, with the correlation coefficient was 0.99282 with a low root mean squared error of calibration (RMSEC = 0.438) and root mean squared error of validation (RMSECV = 0.597). The developed SERS method based on Ag NCs@PDMS substrate provide a simpler and more sensitive way to monitor thiram on apple surfaces.

研究领域: 分析化学 · 食品科学 · 农残检测
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2024 · IF 7.7

Bacterial cellulose/gelatin-based pH-responsive functional film for food freshness monitoring

Shuo Yang,Qijun Ding,You Li,Wenjia Han

Food safety is related to public health and environmental safety. Therefore, it is necessary to develop accurate and effective detection methods to assess food quality and safety. In this study, a pH-responsive functional film (BC/GA/FITC/PCA) was generated for the real-time and visual monitoring of shrimp freshness. Bacterial cellulose /Gelatin (BC/GA) was used as a film-forming matrix, and fluorescein isothiocyanate (FITC) and red cabbage (PCA) were used as the response signals. The addition of FITC and PCA increased the shading capacity (< 30 %) and antioxidant properties (22.8 %) of the films. WCA (82.73 ± 0.95°), WVP (1.48 × 10 −11  g·cm/cm 2 ·s·Pa) and OTR (2.42 × 10 −15  cm 3 ·cm/cm 2 ·s·Pa) indicated that the film possessed water resistance and oxygen barrier properties. When exposed to daylight, the film underwent a color transition from purple to green as the ammonia concentration increased. In addition, the blue-green fluorescence of the films gradually increased and the detection limit was low (170 ppb). In particular, the change in film color caused by shrimp spoilage corresponded to the TVBN value. This study work provides a new strategy for controlling and monitoring food safety and has a wide range of applications in the fields of food-active packaging and smart packaging.

CAS / MDL: 3326-32-7
研究领域: 食品科学 · 生物材料学
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2026 · IF 8.7

Cryogenic 3D-printed gelatin-chondroitin sulfate scaffold embedded with PCA/Cu2+/ε-polylysine-functionalized chitosan microspheres for simultaneous antibacterial, anti-inflammatory, angiogenic, and osteogenic bone regeneration

Jialing Zhuang,Shunyu Chen,Xiufeng Xiao

3D-printed gelatin scaffolds are widely explored for bone regeneration due to their excellent biocompatibility and biodegradability, yet their clinical translation is severely hindered by several inherent defects, including weak mechanical stability, fast in vivo biodegradation, limited osteogenic capability, and the absence of anti-infective functions. Globally, it remains a key challenge in bone tissue engineering to develop integrated scaffold systems that simultaneously satisfy mechanical matching, long-term biological activity, and anti-pathogenic requirements. To address this challenge, a multifunctional CHm/PCA/Cu 2+ /ε-PL@Gel-OCS scaffold with enhanced mechanical properties, outstanding antibacterial, anti-inflammatory, pro-vascularization and osteogenic activities was developed via cryogenic 3D printing of a gelatin (Gel)/oxidized chondroitin sulfate (OCS) composite ink loaded with chitosan microspheres surface-functionalized by protocatechuic aldehyde (PCA), copper ions (Cu 2+ ) and ε-polylysine (ε-PL). Scanning electron microscopy and energy-dispersive X-ray analysis confirmed uniform dispersion of the microspheres and sustained release of therapeutic agents as the scaffold degraded. Rheological and mechanical testing demonstrated excellent print fidelity, interconnected porosity (161 ± 37 μm pores), and compressive strengths (100–200 MPa) suitable for cortical bone repair. Such porous structure and mechanical performance are highly compatible with human cortical bone microenvironment, which facilitates cell infiltration, nutrient exchange and mechanical load bearing. In vitro release studies revealed a sequential sustained release profile (OCS > Cu 2+  > ε-PL), ensuring a sustainable osteogenic, angiogenic, anti-inflammatory and antibacterial activity. The scaffold achieved 100% bactericidal efficiency against both Staphylococcus aureus and Escherichia coli , suppressed protein denaturation (anti-inflammation), and promoted neovascularization in a chick chorioallantoic membrane assay. Biocompatibility assays using MC3T3-E1 osteoblasts showed enhanced cell adhesion, proliferation, and live/dead viability over 5 days. Osteogenic potential was significantly elevated on the multifunctional scaffold, as evidenced by time-dependent increases in ALP activity, mineral deposition (Alizarin Red S), and upregulated expression of ALP, RUNX2, OPN, and OCN genes compared with Gel and Gel–OCS controls. Taken together, our cryogenic 3D-printed Gel-OCS scaffold incorporating PCA/Cu 2+ /ε-PL-functionalized chitosan microspheres provides a single-step, customizable platform that combines robust mechanical properties with multi-modal therapeutic functionalities. Different from conventional single-function bone scaffolds reported in most international studies, this multi-component synergistic design successfully realizes the integration of mechanical reinforcement, antibacterial, anti-inflammatory, vascularization and osteogenesis functions in one system. These promising preclinical results highlight a novel therapeutic strategy for bone defect regeneration, it solves the common bottlenecks of traditional gelatin-based bone scaffolds, provides a feasible and universal fabrication strategy for high-performance multifunctional bone repair materials, and offers new insights for the global development and clinical translation of 3D-printed bone tissue engineering scaffolds.

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mAbs · 2018 · IF 5.165

N-terminal α-amino group modification of antibodies using a site-selective click chemistry method

De-zhi Li,Bing-nan Han,Rui Wei,Gui-yang Yao,Zhizhen Chen,Jie Liu,Terence C.W. Poon,Wu Su,Zhongyu Zhu,Dimiter S. Dimitrov,Qi Zhao

Site-specific conjugation of small molecules to antibody molecules is a promising strategy for generation of antibody-drug conjugates. In this report, we describe the successful synthesis of a novel bifunctional molecule, 6-(azidomethyl)-2-pyridinecarboxyaldehyde (6-AM-2-PCA), which was used for conjugation of small molecules to peptides and antibodies. We demonstrated that 6-AM-2-PCA selectively reacted with N-terminal amino groups of peptides and antibodies. In addition, the azide group of 6-AM-2-PCA enabled copper-free click chemistry coupling with dibenzocyclooctyne-containing reagents. Bifunctional 6-AM-2-PCA mediated site-specific conjugation without requiring genetic engineering of peptides or antibodies. A key advantage of 6-AM-2-PCA as a conjugation reagent is its ability to modify proteins in a single step under physiological conditions that are sufficiently moderate to retain protein function. Therefore, this new click chemistry-based method could be a useful complement to other conjugation methods.

CAS / MDL: 76-05-1
研究领域: 化学 · 生物化学 · 药学
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Arabian Journal of Chemistry · 2022 · IF 6.212

An integrated strategy of secondary metabolomics and glycomics to investigate multi-component variations in wine-processing of medicinal herbs and functional foods: A case study on Fructus Corni

Xin Liu,Hao Cai,Minjie Niu,Hui Yu,Mengqing Wang,Hui Zhu,Gang Cao,Ke Pei,Yu Duan,Jiantao Song

Fructus Corni (FC), as a promising Chinese medicinal herb, has aroused considerable interest. Generally, FC needs to be processed according to the limited standard policy in China before clinical application, while the investigations on the specific processing methods (such as wine steaming or high-pressure wine steaming) are unclear. A comprehensive metabolomics strategy based on integrated non-targeted metabolomics and targeted glycomics in this paper was implemented to investigate the influences of the different processing technologies such as steaming, wine steaming, high-pressure steaming, high-pressure wine steaming, wine immersion, and wine stir-frying on FC, respectively. UHPLC-Q-TOF-MS/MS was employed for identifying and distinguishing the secondary metabolites. A total of 85 components were identified in all groups. The results of PCA score plots showed that the crude and processed samples had a complete separation, and wine steamed and high-pressure wine steamed samples could be a category, indicating that the two processed products had a similar quality. Multiple chromatography including HPLC (C 18 )-PDA, HPLC (NH 2 )-ELSD, and HPGPC-ELSD was used for determining the molecular weight distributions, the monosaccharide compositions of polysaccharides, and the contents of free monosaccharides and oligosaccharides. The results indicated that the content and composition of saccharides were different in crude and different processed FC. The polysaccharides were composed of fucose, arabinose, galactose, glucose, galacturonic acid, mannose and rhamnose, and the free monosaccharides were composed of fucose, arabinose, galactose, glucose, mannose, rhamnose and fructose in all FC samples. The PCA score plots of the glycomics indicated that the crude and high-pressure wine steamed FC could be a category, showing that the two groups had similar chemical compositions. Ultimately, the simulation processing experiments indicated that the transformation of morroniside, polysaccharides, oligosaccharides, fructose, and glucose to 5-HMF through the reactions of dehydration and deglycosylation was the potential mechanism of enhancing the effects by processing. Conclusionly, the saccharides should be investigated as thoroughly as the secondary metabolites, and the high-pressure wine steamed FC could be an alternative to wine steamed FC.

CAS / MDL: 1336-21-6 512-69-6
研究领域: 药用植物学 · 代谢组学 · 食品科学 · 中医药
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PLoS One · 2015 ·Vol. 10 ·期 11 ·e0143567 · IF 3.234

The Effect of CmLOXs on the Production of Volatile Organic Compounds in Four Aroma Types of Melon (Cucumis melo)

Yufan Tang,Chong Zhang,Songxiao Cao,Xiao Wang,Hongyan Qi

Lipoxygenases (LOXs) play important role in the synthesis of volatile organic compounds (VOCs), which influence the aroma of fruit. In this study, we elucidate that there is a positive relationship between LOXs activity and VOC production in melon ( Cucumis melo ), and CmLOX genes are involved in fruit aroma generation in melon. To this end, we tested four aroma types of melon that feature a thin pericarp: two aromatic cultivars of the oriental melons ( C . melo var. makuwa Makino), ‘Yu Meiren’ (YMR) and ‘Cui Bao’ (CB); a non-aromatic oriental pickling melon ( C . melo var. conomon), ‘Shao Gua’ (SHAO); and a non-aromatic snake melon ( C . melo L . var . flexuosus Naud) , ‘Cai Gua’ (CAI). A principal component analysis (PCA) revealed that the aromas of SHAO and CAI are similar in nature because their ester contents are lower than those of YMR and CB. Ethyl acetate, benzyl acetate, ( E , Z )-2, 6-nonadienal and menthol are four principal volatile compounds that affect the aromatic characteristics of these four types of melons. The LOX activity and total ester content in YMR were the highest among the examined melon varieties. The expression patterns of 18 CmLOX genes were found to vary based on the aromatic nature of the melon. Four of them were highly expressed in YMR. Moreover, we treated the fruit disks of YMR with LOX substrates (linoleic acid and linolenic acid) and LOX inhibitors ( n -propyl gallate and nordihydroguariaretic acid). Substrate application promoted LOX activity and induced accumulation of hexanal, (2 E )-nonenal and straight-chain esters, such as ethyl acetate. In contrast, LOX inhibitors decreased the levels of these compounds. The effect of CmLOX s in the biosynthesis of esters in melons are discussed.

CAS / MDL: 111-87-5
研究领域: 植物科学 · 生物化学 · 分子生物学 · 农学
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CRYSTAL RESEARCH AND TECHNOLOGY · 2021 ·Vol. 56 ·期 4 ·2000187 · IF 1.639

Formation and Phase Selection of CaCO3 in the Intervention of Lignin Monomer Model Compounds

Huifeng Hu,Fugen Liang,Haidong Zhu,Xiumei Zhang,Kecong Cui,Hridam Deb,Yong Zhang

The single crystal form and uncontrollable topography of CaCO 3 in nature severely restrict its product grade and application. Meanwhile, lignin is still not utilized efficiently. In order to improve this, three types of lignin monomer model compounds as p -coumaric acid (PCA), ferulic acid (FA), and sinapic acid (SA) are employed to induce the growth of CaCO 3 to investigate the relationship between lignin structure and CaCO 3 crystallization. The synthesized PCA and CaCO 3 composite crystals (PC-ACCs), FA and CaCO 3 composite crystals (F-ACCs), and SA and CaCO 3 composite crystals (S-ACCs) are characterized by field emission scanning electron microscope (FESEM), X-ray diffraction (XRD), and Fourier transmission infrared spectroscopy (FTIR) to ascertain their molecular structures and crystal information. The growth rule of the acid and CaCO 3 composite crystals (ACCs) induced by the three units is also explored. The results show that the vaterite and calcite of ACCs can be formed selectively. In the presence of PCA, FA, and SA, pH is the key factor on the phase selection of ACCs. The temperature and organic acid type also play important roles on the formation of CaCO 3 . The ACCs present distinguishing surface topographies at different temperatures. The number of methoxyl in the PCA, FA, and SA decides the phase ratio of vaterite and calcite in the ACCs.

研究领域: 材料科学 · 化学 · 环境科学
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Biosensors-Basel · 2025 ·Vol. 15 ·期 8 ·477 · IF 5.6

Quantitative Detection of Pyrene in Edible Oil via Plasmonic TLC-SERS Combined with Machine Learning Analysis

Jiahui Tian,Xianhe Jiao,Jiaqi Guo,Qian Yu,Shuqin Zhang,Guizhou Gu,Kundan Sivashanmugan,Xianming Kong

The presence of polycyclic aromatic hydrocarbons (PAHs) in edible oil has a serious effect on human health and may potentially induce cancer. This study combined thin-layer chromatography and surface-enhanced Raman spectroscopy (TLC-SERS) to rapidly and quantitatively detect PAHs in culinary oil. Machine learning using the principle component analysis-back propagation neural network (PCA-BP) was integrated with TLC-SERS for the detection of PAHs. Ag nanoparticles on diatomite (diatomite/Ag) TLC-SERS substrate were prepared via an in situ growth process and employed as a stationary phase in the TLC channel. The analyte sample was dropped onto the TLC channel for separation and detection. The diatomite/Ag TLC channel demonstrated excellent separation capability and superior SERS performance and successfully detected PAHs from edible oil at a sensitivity of 0.1 ppm. The PCA-BP quantitative analysis model demonstrated outstanding prediction performance. This work demonstrates that the combination of TLC-SERS technology with PCA-BP is an efficient and accurate method for quantitatively detecting PAHs in edible oil, which can effectively improve the quality of food.

研究领域: 食品安全 · 分析化学 · 光谱学 · 纳米技术 · 机器学习
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ENVIRONMENTAL SCIENCE & TECHNOLOGY · 2020 · IF 7.864

Novel Pathway for Chloramphenicol Catabolism in the Activated Sludge Bacterial Isolate Sphingobium sp. CAP-1

Xiaodan Ma,Bin Liang,Mengyuan Qi,Hui Yun,Ke Shi,Zhiling Li,Yuanqiang Guo,Peisheng Yan,Shuang-Jiang Liu,Aijie Wang

The chlorinated nitroaromatic antibiotic chloramphenicol (CAP) is a refractory contaminant that is widely present in various environments. However, few CAP-mineralizing bacteria have been documented, and a complete CAP catabolism pathway has yet to be identified. In this study, the bacterial strain Sphingobium sp. CAP-1 was isolated from an activated sludge sample and was shown to be capable of aerobically subsisting on CAP as the sole carbon, nitrogen, and energy source while simultaneously and efficiently degrading CAP. p-Nitrobenzoic acid (PNBA), p-nitrobenzaldehyde (PNBD), protocatechuate (PCA), and the novel side chain C3-hydroxy-oxygenated product of CAP (O-CAP) were identified during CAP degradation. Strain CAP-1 was able to convert O-CAP to intermediate product PNBA. The putative functional genes associated with PNBA catabolism into the tricarboxylic acid cycle via PCA and floc formation were also identified by genome sequencing and comparative proteome analysis. A complete pathway for CAP catabolism was proposed. The discovery of a novel CAP oxidation/detoxification process and a complete pathway for CAP catabolism enriches the fundamental understanding of the bacterial catabolism of antibiotics, providing new insights into the microbial-mediated fate, transformation, and resistance risk of CAP in the environment. The molecular basis of CAP catabolism and floc formation in strain CAP-1 also offers theoretical guidance for the enhanced bioremediation of CAP-containing environments.

研究领域: 环境微生物学 · 生物降解 · 基因组学 · 抗生素污染
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FOOD RESEARCH INTERNATIONAL · 2023 · IF 8.1

Identification of glucosinolates and volatile odor compounds in microwaved radish (Raphanus sativus L.) seeds and the corresponding oils by UPLC-IMS-QTOF-MS and GC × GC-qMS analysis

Xiao Jia,Pei Yu,Qi An,Jingnan Ren,Gang Fan,Zelan Wei,Xixiang Li,Siyi Pan

The effect of microwave treatment on the content of glucosinolates (GSL) in radish seeds and volatile odor compounds in the microwaved radish seed oils (MRSO) is still unclear. In this study, a total of 13 GSL were identified and quantified in five radish seed varieties by UPLC-IMS-QTOF-MS, among which glucoraphenin, glucoraphasatin, glucoerucin accounting for up to 90 %. Total GSL decreased by 47.39–67.88% after microwave processing. Moreover, 58 odor compounds were identified in MRSO, including 6 sulfides, 12 nitriles, 2 isothiocyanates, 10 alcohols, 12 aldehydes, 5 ketones, 6 acids, and 5 others. The major odor compounds were (methyldisulfanyl)methane, dimethyltrisulfane, (methylsulfinyl)methane, 3-(methylsulfanyl)-1-propanol, methyl thiocyanate, hexanenitrile, 5-(methylsulfanyl)pentanenitrile, and 4-isothiocyanato-1-butene with odor activity value (OAV) higher than 1. The principal components analysis (PCA) results can distinguish MRSO from five different radish seed varieties, three of which (H20-18, H20-19 and H20-28) were in one group and other two (H20-23 and H20-26) were in another group. In addition, aliphatic GSL showed positive correlations with sulfides, isothiocyanates, and nitriles, while negative correlations with alcohols. This work provides a new insight into the odor contribution of GSL degradation products.

研究领域: 食品科学 · 分析化学 · 植物生物化学
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POLYMER DEGRADATION AND STABILITY · 2025 · IF 7.4

Synthesis of a Phosphorylated Bio-Derivative for Multifunctional Polyamide 6 via a Self-Polymerization Strategy

Wen-Jie Jin,Bao-Ping Dong,Xian-Wei Cheng,Jin-Ping Guan,Shu-Sheng Xiong

A highly efficient and reactive flame retardant (FR) agent was developed and in situ self-polymerized on polyamide 6 (PA6) fabrics, yielding a durable and multifunctional textile. The FR agent, designated DOPO-pCA, was synthesized using bio-based p-coumaric acid and DOPO. The treated PA6 exhibited outstanding flame retardancy and anti-dripping performance, with a limiting oxygen index of 31.0% and a reduced damaged length of 12.3 cm. Cone calorimetry confirmed significant fire-safety improvements, with the peak heat release rate and total heat release reduced by 30.7% and 23.8%, respectively. The superior fire resistance should be attributed to the enhanced quenching effect of phenoxy and phosphoroxy radicals. Owing to its self-polymerization and reactivity, DOPO-pCA imparted durable FR functionality, with only slight deterioration observed after 30 laundering cycles. Moreover, the treated PA6 fabrics exhibited excellent resistance to UV resistance and antibacterial activity against S. aureus . The PA6 fabrics treated with 40 g/L DOPO-pCA achieved a high UV protection factor (UPF) of 52.4 and an antibacterial rate of 92.3%. Here, this work proposes a cleaner and novel strategy for developing durable and multifunctional PA6 fabrics.

CAS / MDL: 127-19-5 7681-53-0
研究领域: 高分子科学 · 材料工程 · 消防安全 · 纺织化学 · 生物基化学品
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