JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2025
·
IF 3.1
Xinyi Jiao,Rongrong Li,Simon Sani Ocholi,Haitao Wang,Tongcan Cui,Biying Chen,Liming Wang,Zhifei Fu,Erwei Liu,Fengchao Wang,Lifeng Han
Huanglian (HL) is a member of the Ranunculaceae family, including Coptis chinensis Franch., Coptis deltoidea C. Y. Cheng et Hsiao, or Coptis teeta Wall. The dried rhizomes are highly esteemed herbal medicine in Chinese pharmacopeia. However, the composition of HL is complex, and current identification technologies are insufficient for conducting a comprehensive analysis of HL, leading to major obstacles in quality control. Therefore, an in-depth exploration of the influence of species diversity and geographic provenance on the chemical profile of HL is imperative for its rational application and quality assurance. To comprehensively analyze compounds in HL samples from diverse geographical regions, this study employed an integrated approach combining offline two-dimensional ultra-high-performance liquid chromatography coupled with quadrupole-Orbitrap mass spectrometry (2D-LC-MS/MS) with online 2D-LC-MS/MS. This dual-platform strategy enabled detailed characterization of complex compound profiles. Additionally, the retention time prediction (RT-Ensemble Pred) models were utilized to predict and identify the retention times of unknown compounds, which particularly facilitated the differentiation of isomers. The comprehensive research resulted in the identification of 150 chemical constituents in HL, including 72 isomers. Furthermore, the compounds were analyzed and categorized according to mathematical classification models, allowing for distinction between various geographical origins. Based on unexposed data, the model demonstrated robust predictive capability, enabling the selection of 20 distinctive characteristic compounds with prominent features for use in geographical origin discrimination. Overall, this multidimensional investigation significantly enhanced our understanding of the chemical composition and inherent variability of HL plant resources, providing crucial technical underpinnings and methodological insights for the comprehensive exploitation and utilization of HL in biomedical and pharmaceutical applications.
研究领域:
中药学
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分析化学
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植物化学
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产品关联
DOI
PubMed
高影响因子
ANALYTICA CHIMICA ACTA
·
2020
·
IF 5.977
Ting Zhou,Min Fan,Ruiyun You,Yudong Lu,Luqiang Huang,Yunchao Xu,Shangyuan Feng,Yang Wu,Huiying Shen,Lanjin Zhu
We have successfully prepared a highly sensitive sandwich nanosensor combined Fe 3 O 4 and [email protected] @Ag nanorods for histamine detection based on surface-enhanced Raman spectroscopy (SERS). The Fe 3 O 4 beads with –COOH served as a capture part to enrich histamine. The [email protected] @Ag core-shell nanorods functionalized with Nalpha,Nalpha-Bis(carboxymethyl)- l -lysine (AB-NTA) were then used to connect with the imidazolyl group of histamine, simultaneously the internal standard 4-aminothiophenol (4-ATP) in the core-shell structure was used as the SERS signal. PLS regression model based on concentration range 10 −3 -10 −8 mol/L showed a linear trend with R 2 = 0.9907. Our new approach can quickly and reliably determine histamine in fish sample and RAW264.7 cell lysates. This protocol for histamine extraction and SERS analysis enables the development of ultra-sensitive method for histamine detection.
研究领域:
分析化学
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纳米技术
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食品科学
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生物化学
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产品关联
DOI
PubMed
高影响因子
FOOD CONTROL
·
2023
·
IF 6
Shang Wang,Silin Huang,Yuying Han,Jian Wu,Tianhui Jiao,Jie Wei,Xiaomei Chen,Qingmin Chen,Quansheng Chen
Total volatile basic nitrogen (TVB-N) content is one of the critical safety evaluation indexes in seafood . This study investigated the colorimetric sensing array (CSA) technique with two data collection blocks, imaging and visible near-infrared spectroscopy, for non-destructive prediction of TVB-N content in Fujian oysters. Three data fusion strategies coupled with variable selection approaches including variable combination population analysis (VCPA), ant colony optimization, and competitive adaptive reweighted sampling were applied to establish the partial least squares (PLS) model for predicting the TVB-N content of oysters. Better prediction performance was obtained using data fusion of two information blocks than using individual block data. The results showed that the high-level-VCPA strategy showed the best performance with the correlation coefficient of the prediction set (R p ) at 0.9128. This work demonstrates that the use of CSA has the potential for non-destructive monitoring of TVB-N content in Fujian oysters.
研究领域:
食品科学
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光谱学
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传感器技术
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水产养殖
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产品关联
DOI
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
·
2022
·
IF 6.056
Xia Yin,Jian'an Huang,Jing Huang,Wenliang Wu,Tong Tong,Shujuan Liu,Lingyun Zhou,Zhonghua Liu,Shuguang Zhang
Hunan black tea is well-known for its floral-honey aroma, but the volatile components responsible for the fragrance have not been elucidated yet. In this study, the volatile compounds in Hunan black tea were identified and quantified by the headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry (HS-SPME-GC-MS). The results showed that 88 compounds were extracted and determined in Hunan black tea, including the dominant components Geraniol, phenethyl alcohol, phenylacetaldehyde, linalool, nonanal and other 5 aromatic compounds. Furthermore, the aroma-active compounds were identified by odor activity value (OAV). It was found that 24 aroma compounds, including geraniol with an OAV≥1 were regarded as the primary active aromatic compounds in Hunan black tea. Finally, partial least squares (PLS) regression analysis was employed and results revealed that Nonanal, trans -nerolidol, benzyl alcohol, and phenylethanol exhibit a positive correlation with the intensity of floral and sweet honey aromas. Overall, this study identified the volatile compounds responsible for the dominant floral-honey aroma in Hunan black tea.
研究领域:
食品科学
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分析化学
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农学
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产品关联
DOI
高影响因子
SCIENTIA HORTICULTURAE
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2024
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IF 3.9
Yanhua Pan,Yini Ma,Jiadong He,Lu Zhang,Rong Huang,Ling Tang,Jiaxuan Ren,Weicheng Wang,Muriel Quinet,Yu Meng
This study addresses the identification and comparison of volatile organic compounds (VOCs) in different peony varieties to elucidate their distinct aroma profiles and the common VOCs that constitute the unique fragrance of peony flowers, laying a foundation for breeding high-quality peony varieties and developing related products. Headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) combined with principal component analysis (PCA), partial least squares discriminant analysis (PLS-DA) was employed to analyze and differentiate the VOCs of eight peony varieties: TAOXI, ZIHELIAN, BAITIANE, YAOHUANG, DAFUGUI, DAOJIN, HONGXIUQIU, and MANAOPAN. The study identified 87 VOCs, revealing significant differences in VOC compositions among the samples. Notably, BAITIANE displayed distinct differences in both color and VOC composition compared to the other seven varieties. It exhibited uniquely high levels of butanoic acid-M, butanoic acid-D, hexanal-D, ethanol-D, and ethyl acetate. Twelve key differential VOCs were identified as having significant impacts: ethanol-D, hexanal-D, (e)-2-hexenal-D, (e)-2-hexenal-M, hexanal-M, butanoic acid-M, acetic acid-D, acetic acid-M, butanoic acid-D, ethyl acetate, thiophene, and dimethyl sulfide. KEGG pathway analysis highlighted the roles of xenobiotics biodegradation, terpenoid metabolism, and amino acid metabolism in VOC biosynthesis. The findings are significant for the breeding of fragrant peony varieties and the development of floral-based products. The findings provide theoretical support for breeding new horticultural flower varieties and developing commercial peony products, enhancing the understanding of floral scent chemistry, and offering valuable information for the perfumery, floral food processing, and related industries.
研究领域:
植物学
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香味化学
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植物育种
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香料工业
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食品加工
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产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2020
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IF 6.306
Tian-Qin Peng,Xiao-Li Yin,Hui-Wen Gu,Weiqing Sun,Baomiao Ding,Xian-Chun Hu,Li-An Ma,Shu-Dong Wei,Zhi Liu,Shi-Yi Ye
Laoshan green teas plucked in summer and autumn were measured by high performance liquid chromatography-diode array detector (HPLC-DAD). After baseline correction, the fingerprints data were resolved by multivariate curve resolution-alternating least squares (MCR-ALS) and a total of 57 components were acquired. Relative concentrations of these components were afterwards applied to distinguish plucking seasons using principal component analysis (PCA), support vector machines (SVM) and partial least squares-discriminant analysis (PLS-DA). For both SVM and PLS-DA models, the total recognition rates of training set, cross-validation and testing set were 100%, 91.3% and 100%, respectively. Besides, three variable selection methods were employed to determine characteristic components for the authentication of summer and autumn teas. Results showed that PLS-DA model based on three characteristic components selected by VIP possesses identical predictive ability as the original model. This study demonstrated that our proposed strategy is competent for the authentication of plucking seasons of Laoshan green tea.
研究领域:
分析化学
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食品科学
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化学计量学
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产品关联
DOI
PubMed
高影响因子
Food Bioscience
·
2024
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IF 4.8
Mingtao Ma,Ziqiang Chen,Bing Huang,Xingguang Chen,Hua Liu,Zhengcong Peng,Peilin Dong,Jian Lu,Dianhui Wu
The origin of malt is a crucial factor influencing malt flavor. In this study, the volatile compounds of barley malt from four different producing areas were comprehensively characterized by gas chromatography electronic nose (GC-E-Nose), gas chromatography-mass spectrometry (GC-MS), and gas chromatography ion mobility spectrometry (GC-IMS). GC-E-Nose analysis revealed significant differences in volatile flavor compounds among malt samples from different origins. GC-MS identified 71 volatile compounds, with aldehydes being the most abundant in all four samples. GC-IMS identified 50 volatile compounds, and obtained the most abundant aldehydes included butyraldehyde, 3-methyl-2-butyraldehyde. etc not detected by GC-MS. The combination of GC-MS data with odor activity value (OAV) analysis identified 24 flavor compounds as key aroma compounds (OAV ≥1). Partial least squares discriminant analysis (PLS-DA) model combined with one-way analysis of variance (ANOVA) was used to screen out seven volatile markers: 1-penten-3-ol, decanal, ethyl butyrate, ethyl acetate, ethyl isovalerate, isoamyl acetate, and dimethyl sulfide. The integration of these techniques provided a better characterization of flavor compounds and their differences in malt from different origins. The results provided theoretical guidance for the factory to improve malt flavor quality.
研究领域:
食品科学
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分析化学
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农学
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产品关联
DOI
高影响因子
MICROCHEMICAL JOURNAL
·
2024
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IF 4.9
Lixin Ma,Qian Xu,Limei Yin,Caixia Zou,Wei Wu,Chen Wang,Ruiyun Zhou,Zhiming Guo,Jianrong Cai
Fruits are susceptible to fungal infection and propagation during storage and transportation, and carry toxic metabolites of fungi. Patulin (PAT) is a primary mycotoxin contaminant in fruits and their products, with neurotoxicity, teratogenicity and carcinogenicity. The current chromatographic methods have limitations such as time-consuming, high-cost and the need for professional training. For rapid and sensitive detection of PAT, a surface-enhanced Raman scattering (SERS) method based on nucleophilic addition reaction was described in this paper. 4-aminothiophenol (4-ATP), silver ion, and cysteine (Cys) were successively attached to the surface of the Au-core-Ag-shell nanoparticles to form SERS sensors. PAT reacted with Cys to form a complex covering the surface of the sensor, attenuating the Raman signal from 4-ATP. Combined with the chemometrics algorithms, the hidden spectral information can be extracted effectively. Among these algorithms, the ant colony optimization partial least squares (ACO-PLS) model demonstrated the best predictive performance (R c = 0.9985, RMSEC = 0.0494). The recovery rate of PAT was 96.58 ∼ 101.74 % with the RSD ≤ 1.42 %. HPLC was used to verify the applicability of this SERS method, and the results indicated that the SERS method was consistent with the HPLC method ( p = 0.283 > 0.05). Furthermore, the SERS sensor was not subject to interference from ochratoxins A, alternariol, and the PAT structural analogues. Consequently, the proposed SERS sensor can realize rapid and highly selective detection of PAT, providing a new strategy for the rational design of SERS sensor based on chemical reaction for indirect detection of harmful substances.
研究领域:
分析化学
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食品安全
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光谱学
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纳米技术
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毒理学
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产品关联
DOI
高影响因子
MOLECULES
·
2019
·Vol. 24
·期 7
·1440
·
IF 3.06
Huang-qin Zhang,Pei Liu,Jin-ao Duan,Ling Dong,Er-xin Shang,Da-wei Qian,Zhen-hua Zhu,Hui-wei Li,Wei-wen Li
Trichosanthes kirilowiiMaxim. is one of the original plants for traditional Chinese medicines Trichosanthis Fructus, Trichosanthis Semen, Trichosanthis Pericarpium and Trichosanthis Radix. Amino acids, nucleosides and carbohydrates are usually considered to have nutritional value and health-care efficacy. In this study, methods involving high-performance liquid chromatography coupled with evaporative light scattering detector (HPLC-ELSD), UV-visible spectrophotometry and ultra-high-performance liquid chromatography coupled with tandem mass spectrometry (UHPLC-MS/MS) were established for quantifying carbohydrates (fructose, glucose, stachyose, raffinose and polysaccharide), fourteen nucleosides and twenty one amino acids. Moreover, sixty-three samples from nine different parts, including pericarp, seed, fruit pulp, stem, leaf, main root, main root bark, lateral root and lateral root bark ofT. kirilowiifrom different cultivated varieties were examined. The established methods were validated with good linearity, precision, repeatability, stability, and recovery. The results showed that the average content of total amino acids in roots (15.39 mg/g) and root barks (16.38 mg/g) were relatively higher than for others. Contents of nucleosides in all parts ofT. kirilowiiwere below 1.5 mg/g. For carbohydrates, fruit pulp has a higher content than others for glucose (22.91%), fructose (20.63%) and polysaccharides (27.29%). By using partial least-squared discriminate analysis (PLS-DA), Variable importance in the projection (VIP) plots and analysis of variance (ANOVA) analysis, the characteristic components of the different organs (fruit, stems and leaves, roots) were found. This analysis suggested there were potential medicinal and nutritive health care values in various parts of theT. kirilowii, which provided valuable information for the development and utilization ofT. kirilowii.Keywords:Trichosanthes kirilowiiMaxim;different parts;carbohydrate;nucleosides;amino acids;resource utilization
研究领域:
生药学
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分析化学
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中药学
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产品关联
DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2024
·
IF 7
Xueli Chen,Haoyue Liu,Cong Li,Yujuan Xu,Baocai Xu
To clarify the characteristic aroma compounds and flavor discrepancies of five Chinese typical pig species, headspace-solid phase microextraction gas chromatography–olfactometry-mass spectrometry (HS-SPME/GC-O-MS), electronic nose (E-nose), aroma recombination and omission experiments were used to analyze the characteristic aroma and boundary of five boiled pork. A total of 38 volatile compounds were identified, of which 14 were identified as important odorants with odor-activity values (OAVs) greater than 1. Aroma recombination and omission experiments revealed 8 key characteristic aroma compounds, which significantly contributed to the overall aroma. Sensory evaluation of the recombination model with the 8 aroma compounds scored 3.0 to 4.0 out of 5 points. 12 potential markers were identified to distinguish by principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA), including (E)-2-octenal, 3-ethyl-2-methyl-1,3-hexadiene, (E)-2-heptenal, 2-pentylfuran, cyclooctanol, 1-heptanol, sec -butylamine, D-limonene, N-vinylformamide, 2,3-octanedione, 2-ethylfuran and 3-pentanamine. Alongside benzaldehyde and pentanal, the combinations and fluctuations of these 14 aroma markers were proposed to constitute the aroma boundaries of different pork breeds. The aroma-active substances were able to effectively differentiate different breeds.
研究领域:
食品科学
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分析化学
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农学
·
感官科学
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产品关联
DOI
PubMed
高影响因子
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY
·
2021
·
IF 6.291
Rui Tao,Hanjie Zhang,Xiuping Gu,Baowei Hu,Jun Li,Guixin Chu
Phthalic acid esters (PAEs) pollution has become an increasing issue worldwide, but little is known about its effects on ammonia-oxidizers and nitrous oxide (N 2 O) in the soil environment. Here, a 50-day soil microcosm experiment was conducted using low and high doses bis (2-Ethylhexyl) phthalate (DEHP) to estimate the effect of DEHP exposure on soil N 2 O emissions and the nitrifying community in calcareous soil. The results showed that DEHP exposure at 10 and 100 mg kg -1 doses significantly reduced N 2 O by 67.5% and 73.6%, respectively, relative to the DEHP absent treatment. The microbial biomass carbon and nitrogen (MBC and MBN) were consistently and significantly decreased with DEHP exposure at 5, 22, and 50 days after incubation, especially with high-dose. The bipartite association networks showed that DEHP exposure changed the compositions of both ammonia-oxidizing archaea (AOA) and ammonia-oxidizing bacteria (AOB) communities. Moreover, the AOA and AOB amoA gene abundances were significantly decreased by DEHP addition to the soil ( P < 0.05). Random forest modeling showed that the AOB Shannon index and pH were the most important biotic and abiotic factors affecting N 2 O emissions in the soil with DEHP exposure, respectively. Partial least squares path modeling (PLS-PM) demonstrated that the reduction of N 2 O emissions due to DEHP exposure was mainly ascribed to the changes of the AOB community. The results from this study highlight the toxicity of DEHP on the ammonia oxidizers, and its mitigating effect on N 2 O emissions in the soil where ammonia-oxidation is largely driven by AOB.
研究领域:
环境科学
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土壤微生物学
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生态毒理学
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产品关联
DOI
PubMed
高影响因子
ACS Agricultural Science & Technology
·
2021
·
IF 0
Mi Li,Xiaoyu Xiao,Zhangsong Jiang,Haihui Tang,Lingling Rong,Tiao Zhang,Taijia Li,Cui Hu,Ligui Wu,Xiaoming Zou
Antibiotic resistance genes (ARGs) are emerging environmental pollutants, and the effect of both abiotic (e.g., anthropogenic pollutants such as sulfonamides (SAs)) and biotic (e.g., microbial community (taxonomy), mobile genetic elements (MGEs)) factors on the antibiotic resistome (collection of ARGs) has received much attention recently. In addition, function (e.g., CAZy, eggNOG and KEGG) is also an important biotic factor; however, how function correlates to ARGs and thus contributes to the antibiotic resistome remains ambiguous. This work explores the effect of sulfonamides (SAs) on ARGs and MGEs by a metagenomic analysis, a principal component analysis (PCA), and a nonmetric multidimensional scaling analysis (NMDS). Then, the work establishes a correlation between ARGs and function with a co-occurrence network and reveals the contribution and positive (negative)/direct (indirect) effect of taxonomy, MGEs, and function to the antibiotic resistome by variation partitioning analysis (VPA) and partial least-squares-path modeling (PLS-PM). The results show that the soil has diverse ARGs and several MGEs and SAs impose significant effects on them. Further, CAZy, eggNOG, and KEGG (including pathway and orthology) show strong and significant correlation with ARGs on the basis of the co-occurrence network; however, in our system it seems that only the KEGG pathway promotes the interpretation of ARGs and should be regarded as the priority function on considering the role of function in structuring the antibiotic resistome. This work reveals the importance and necessity of function as a biotic factor in shaping the antibiotic resistome in diverse resistome-related fields.
研究领域:
环境科学
·
微生物学
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基因组学
·
生态学
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产品关联
DOI
危险品化学品经营许可证（带存储）