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1.
Spectrochim Acta A Mol Biomol Spectrosc ; 324: 124992, 2025 Jan 05.
Artigo em Inglês | MEDLINE | ID: mdl-39163771

RESUMO

Curcumae Radix (CR) is a widely used traditional Chinese medicine with significant pharmaceutical importance, including enhancing blood circulation and addressing blood stasis. This study aims to establish an integrated and rapid quality assessment method for CR from various botanical origins, based on chemical components, antiplatelet aggregation effects, and Fourier transform near-infrared (FT-NIR) spectroscopy combined with multivariate algorithms. Firstly, ultra-performance liquid chromatography-photodiode array (UPLC-PDA) combined with chemometric analyses was used to examine variations in the chemical profiles of CR. Secondly, the activation effect on blood circulation of CR was assessed using an in vitro antiplatelet aggregation assay. The studies revealed significant variations in chemical profiles and antiplatelet aggregation effects among CR samples from different botanical origins, with constituents such as germacrone, ß-elemene, bisdemethoxycurcumin, demethoxycurcumin, and curcumin showing a positive correlation with antiplatelet aggregation biopotency. Thirdly, FT-NIR spectroscopy was integrated with various machine learning algorithms, including Artificial Neural Network (ANN), K-Nearest Neighbors (KNN), Logistic Regression (LR), Support Vector Machine (SVM), and Subspace K-Nearest Neighbors (Subspace KNN), to classify CR samples from four distinct sources. The result showed that FT-NIR combined with KNN and SVM classification algorithms after SNV and MSC preprocessing successfully distinguished CR samples from four plant sources with an accuracy of 100%. Finally, Quantitative models for active constituents and antiplatelet aggregation bioactivity were developed by optimizing the partial least squares (PLS) model with interval combination optimization (ICO) and competitive adaptive reweighted sampling (CARS) techniques. The CARS-PLS model achieved the best predictive performance across all five components. The coefficient of determination (R2p) and root mean square error (RMSEP) in the independent test sets were 0.9708 and 0.2098, 0.8744 and 0.2065, 0.9511 and 0.0034, 0.9803 and 0.0066, 0.9567 and 0.0172 for germacrone, ß-elemene, bisdemethoxycurcumin, demethoxycurcumin and curcumin, respectively. The ICO-PLS model demonstrated superior predictive capabilities for antiplatelet aggregation biotency, achieving an R2p of 0.9010, and an RMSEP of 0.5370. This study provides a valuable reference for the quality evaluation of CR in a more rapid and comprehensive manner.


Assuntos
Curcuma , Inibidores da Agregação Plaquetária , Agregação Plaquetária , Espectroscopia de Luz Próxima ao Infravermelho , Curcuma/química , Espectroscopia de Luz Próxima ao Infravermelho/métodos , Agregação Plaquetária/efeitos dos fármacos , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Inibidores da Agregação Plaquetária/análise , Inibidores da Agregação Plaquetária/química , Animais , Cromatografia Líquida de Alta Pressão/métodos , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Algoritmos , Extratos Vegetais/química
2.
Talanta ; 281: 126924, 2025 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-39326115

RESUMO

A large number of Chinese herbal medicines (CHMs) are included in daily recipes, but their pesticide residues have aroused more and more concerns. In this paper, an electrochemiluminescence aptasensor was constructed for the trace detection of acetamiprid (ACE) in Angelica sinensis and Lycium barbarum. Possessing a large specific surface area, UiO-66 was modified with amino groups to improve biocompatibility, and the addition of AuNPs allowed UiO-66-NH2 to catalyze the formation of excited states of luminescent molecules (TPrA⁎; Ru(bpy)32+⁎), and AuNPs@UiO-66-NH2 was used to bridge the aptamer (Au-S) and luminescent substrate (peptide bond). The conventional luminescent reagent Ru(bpy)32+ was doped with multi-walled carbon nanotubes (MWCNTs) to obtain a more powerful and stable light signal. After optimizing the experimental parameters, the aptasensor could give results in 10 min with a detection range from 1×10-2-1×104 nM and a lower limit of detection (LOD) of 0.8 pM. The LOD of the study was at least one order of magnitude lower than that of the fluorescence detection method. Furthermore, the accuracy of the aptasensor was validated for spiked recovery experiments.


Assuntos
Aptâmeros de Nucleotídeos , Medicamentos de Ervas Chinesas , Técnicas Eletroquímicas , Ouro , Medições Luminescentes , Nanopartículas Metálicas , Resíduos de Praguicidas , Aptâmeros de Nucleotídeos/química , Nanopartículas Metálicas/química , Ouro/química , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Técnicas Eletroquímicas/métodos , Medições Luminescentes/métodos , Resíduos de Praguicidas/análise , Lycium/química , Estruturas Metalorgânicas/química , Angelica sinensis/química , Técnicas Biossensoriais/métodos , Neonicotinoides/análise , Neonicotinoides/química , Limite de Detecção , Nanotubos de Carbono/química
3.
J Sep Sci ; 47(19): e202400363, 2024 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-39350647

RESUMO

A dispersive liquid-liquid microextraction based on hydrophobic deep eutectic solvent (hDES) was developed for the extraction and quantification of four cinnamic acid derivatives in traditional Chinese medicines coupled with high-performance liquid chromatography-ultraviolet detection. In this method, a hDES (tetrabutylammonium chloride-hexanoic acid, molar ratio of 1:2) was prepared as the extractant. It only took 15 s to handle multiple samples simultaneously by hand-assisted dispersion. The use of a narrow-bore tube reduced the amount of the hydrophobic extractant with easier recovery. The approach was influenced by several key parameters, including the composition and consumption of the DES, sample phase pH, salt amount, extraction time, and centrifugation time, all of which had been investigated and optimized. Moreover, the formation of the DES was characterized by Fourier-transform infrared spectroscopy and differential scanning calorimetry. Under the optimal conditions, enrichment factors of the target analytes ranged from 135 to 220. Satisfactory linearities (r ≥ 0.9977), detection limits (0.2-0.4 ng/mL), precision (<8.5%), and accuracy (recoveries: 90.0%-104.6%) were obtained. The method has been successfully applied to the simultaneous extraction and preconcentration of four cinnamic acid derivatives in Chinese medicinal samples with rapidness, high efficiency, and convenience.


Assuntos
Cinamatos , Medicamentos de Ervas Chinesas , Interações Hidrofóbicas e Hidrofílicas , Microextração em Fase Líquida , Cinamatos/química , Cinamatos/análise , Cinamatos/isolamento & purificação , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Medicamentos de Ervas Chinesas/isolamento & purificação , Cromatografia Líquida de Alta Pressão , Solventes Eutéticos Profundos/química , Medicina Tradicional Chinesa
4.
Sci Rep ; 14(1): 22762, 2024 10 01.
Artigo em Inglês | MEDLINE | ID: mdl-39354043

RESUMO

Like many traditional Chinese herbal medicines, preparations from Radix Dipsaci are at risk of contamination by harmful mycotoxins; however, there have been no reports of actual contamination. In this study, we developed an analytical method to simultaneously detect eight mycotoxins in Radix Dipsaci and estimate the exposure risk for consumers. We have developed an analytical method utilizing ultra-high performance liquid chromatography and tandem mass spectrometry to accurately determine the levels of AFB1, AFB2, AFG1, AFG2, OTA, ZEN, T-2 and ST mycotoxins in 45 batches of Radix Dipsaci sourced from major medicinal herb markets across five regions in China. We also analyzed migration of mycotoxins from the raw herbs into water decoction. Based on these results and data on human consumption of the herbal medicine, we estimated risk of exposure and acceptable exposure limits to mycotoxins in the Radix Dipsaci using the "margin of exposure (MOE)" method. Of the 45 batches of Radix Dipsaci, 48.89% contained at least one of the eight mycotoxins, 24.44% contained one, 17.78% contained two and 6.67% contained three. The most frequent mycotoxins were aflatoxin B1, present in 35.56% of batches (at 0.25-34.84 µg/kg); aflatoxin G1, 15.56% (1.99-44.05 µg/kg); and ochratoxin A, 22.22% (16.11-143.38 µg/kg). These three mycotoxins transferred from the raw herb into water decoction at respective rates of 20.20%, 29.14%, and 24.80%. The 95th percentile values of the MOE risk factors for health effects of AFB1 were below 10,000 at high doses but above 10,000 at low doses of Radix Dipsaci long-term treatment. With the reduction in duration of exposure years, the MOE values of AFB1 and AFG1 gradually reverted to within the acceptable range. The mean, 50th, and 95th percentile values of the MOE risk factors for health effects of OTA exceeded 10,000 regardless of whether consumers received a low or high dose of Radix Dipsaci treatment for durations ranging from 1 to lifetime. Based on this exposure and a typical human diet, we have estimated the respective 20-year exposure limits for Radix Dipsaci to be 5.821 µg/kg, 4.035 µg/kg, and 56.073 µg/kg for the three mycotoxins under consideration. Contamination with multiple mycotoxins is frequently observed in Radix Dipsaci, and the three most prevalent contaminants have been found to leach into water decoctions, thereby posing a potential health hazard for individuals consuming this herbal preparation. This work highlights the need to monitor herbal medicines for mycotoxin contamination in order to protect consumers.


Assuntos
Medicamentos de Ervas Chinesas , Micotoxinas , Micotoxinas/análise , Humanos , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Cromatografia Líquida de Alta Pressão/métodos , Espectrometria de Massas em Tandem/métodos , China , Contaminação de Medicamentos , Medição de Risco
5.
Phytochem Anal ; 35(7): 1659-1673, 2024 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-39353880

RESUMO

INTRODUCTION: Ginkgo Folium tablet (GFT) is a patented traditional Chinese medicine prepared from Ginkgo biloba leaves extract (GBE). However, the current quality indicators for GFT or GBE as designated by the Chinese Pharmacopoeia are insufficient in preventing counterfeit events. OBJECTIVE: This study aimed to putatively identify compounds in GFT and to further develop a quality marker (Q-marker) system for GFT. METHODS: A novel strategy utilizing database-aided ultrahigh-performance liquid chromatography-quadrupole-orbitrap mass spectrometry was employed to analyze the lyophilized aqueous powder of GFT. Subsequently, the identified compounds underwent quantum chemical calculations, network pharmacology, and molecular simulations through in silico approaches to evaluate the Q-marker principles of traceability, specificity, and efficiency-relevance. RESULTS: The results revealed the putative identification of a total of 66 compounds, including 36 flavonoids, 7 phenolic acids and derivatives, 5 terpene lactones, 4 fatty acids and derivatives, 3 alkaloids, 1 amino acid, and 10 other compounds. Particularly, 16 compounds were unexpectedly observed, and seven compounds met the Q-marker principles. CONCLUSION: This study recommends the seven compounds, namely, (-)-gallocatechin, matrine, (-)-epicatechin, ginkgolide C, ginkgolide A, ginkgolide B, and curdione, as the anti-counterfeiting pharmacopoeia Q-markers for GFT. The reconstruction of the Q-marker system for GFT not only enhances the understanding of the compounds in GFT and other GBE-based preparations but also provides valuable recommendations for the Pharmacopoeia Commission.


Assuntos
Ginkgo biloba , Ginkgo biloba/química , Cromatografia Líquida de Alta Pressão/métodos , Comprimidos , Farmacologia em Rede , Extratos Vegetais/química , Flavonoides/análise , Flavonoides/química , Espectrometria de Massas/métodos , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Folhas de Planta/química , Alcaloides/análise , Alcaloides/química , Extrato de Ginkgo
6.
Molecules ; 29(19)2024 Sep 27.
Artigo em Inglês | MEDLINE | ID: mdl-39407530

RESUMO

As a traditional Chinese medicine (TCM), Allii Macrostemonis Bulbus (AMB) is a key herb for the treatment of thoracic paralytic cardiac pain, but its quality evaluation method has not yet been fully clarified. In this study, chromatographic fingerprints of AMB were developed using solid-phase extraction-high-performance liquid chromatography-evaporative light scattering detection (SPE-HPLC-ELSD) to evaluate the quality of AMB from various origins and processing methods. This was achieved by employing chemical pattern recognition techniques and verifying the feasibility and applicability of the quality evaluation of AMB through the quantitative analysis of multi-components via a single-marker (QAMS) method. Through the analysis of the fingerprints of 18 batches of AMB, 30 common peaks were screened, and 6 components (adenosine, syringin, macrostemonoside T, macrostemonoside A, macrostemonoside U, and macrostemonoside V) were identified. Moreover, three differential markers (macrostemonoside A, macrostemonoside T, and macrostemonoside U) were screened out using chemometrics techniques, including principal component analysis (PCA), hierarchical cluster analysis (HCA), and orthogonal partial least squares discriminant analysis (OPLS-DA). Subsequently, a QAMS method was established for macrostemonoside T and macrostemonoside U using macrostemonoside A as an internal reference. The results demonstrate the method's accuracy, reproducibility, and stability, rendering it suitable for the quality evaluation of AMB. This study provides a theoretical basis for drug quality control and the discovery of quality markers for AMB.


Assuntos
Medicamentos de Ervas Chinesas , Extração em Fase Sólida , Cromatografia Líquida de Alta Pressão/métodos , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Extração em Fase Sólida/métodos , Quimiometria/métodos , Controle de Qualidade , Análise de Componente Principal , Luz
7.
J Sep Sci ; 47(17): e2400507, 2024 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-39233475

RESUMO

Given the limited specificity and accuracy observed in the current official colorimetric quantification of polysaccharide in Lycium barbarum, our study aims to establish a novel, specific, accurate, and economic pre-column derivatization ultra-high-performance liquid chromatography (UHPLC) method for determining the monosaccharide and polysaccharide content in L. barbarum. The optimization of extraction, hydrolysis, and derivatization (using 1-phenyl-3-methyl-5-pyrazolone) processes for polysaccharide from L. barbarum was conducted initially, followed by separation of nine monosaccharides within 20 min using UHPLC with a C18 column. Subsequently, a novel method known as quantitative analysis of multiple components by single marker was developed, utilizing either additive 2-deoxy-D-ribose or any monosaccharide present in the sample as a single reference standard to simultaneously detect the contents of polysaccharide and nine monosaccharides in L. barbarum. To validate the accuracy of the established method, the quantitative results of our approach were compared to both external and internal standard method methods. The minimal relative errors in the quantitative determination of monosaccharides among the three methods confirmed the dependability of the method. By analyzing 20 batches of L. barbarum samples, D-galacturonic acid exhibited the highest content and the polysaccharide levels ranged from 3.02 to 13.04 mg/g. All data implied the specificity and accuracy of the method.


Assuntos
Lycium , Monossacarídeos , Polissacarídeos , Cromatografia Líquida de Alta Pressão/métodos , Lycium/química , Monossacarídeos/análise , Monossacarídeos/química , Polissacarídeos/análise , Polissacarídeos/química , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise
8.
Artigo em Inglês | MEDLINE | ID: mdl-39244957

RESUMO

BACKGROUND: The Atractylodes chinensis (DC.) Koidz (A. chinensis) Chinese herb possesses numerous therapeutic properties and is extensively utilized in the pharmaceutical industry. Its quality is closely associated with the harvest periods. However, the optimal quality and harvest periods of A. chinensis remain elusive. METHODS: The bioactive compounds of perennial A. chinensis were detected by ultra-high-performance liquid chromatography coupled with quadrupole Orbitrap mass spectrometry (UHPLC-Q-Orbitrap/MS) metabolomics, and differentially abundant compounds were selected by multivariate statistical analysis. Then, variations in the content of differential compounds in samples harvested at different periods were analyzed, while correlation analysis was carried out on the differential compounds to determine the suitable harvest period for distinct components. RESULTS: A total of 61 bioactive compounds were detected in all samples, grouped into 9 known classes. The results revealed that the chemical compositions of A. chinensis at different harvest periods were significantly different. The volatile oil content in the four-year-old and five-year-old samples was relatively high, at 31.92 mg/g and 32.42 mg/g, respectively. There were also significant differences in the content of the six active ingredients, for example, the five-year-old sample had the highest content of atractylodin (4.38 mg/g). Indeed, the harvest period was correlated with the abundance of most bioactive compounds. Specifically, quinquennial samples were significantly negatively correlated with the abundance of organic acids and aliphatics while moderately positively correlated with the abundance of other classes of bioactive compounds. CONCLUSIONS: According to the results, the ideal harvest time for atractylenolide Ⅲ was 3 years. Regarding organic acids, the optimal harvest time was around 2-3 years. Taken together, these results offer valuable insights to producers for optimizing the harvest period for A. chinensis.


Assuntos
Atractylodes , Atractylodes/química , Cromatografia Líquida de Alta Pressão/métodos , Análise Multivariada , Sesquiterpenos/análise , Lactonas/análise , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Óleos Voláteis/análise , Óleos Voláteis/química , Espectrometria de Massas/métodos , Metabolômica/métodos
9.
Molecules ; 29(18)2024 Sep 14.
Artigo em Inglês | MEDLINE | ID: mdl-39339369

RESUMO

Lonicerae japonicae flos (LJF) and Lonicerae flos (LF) are traditional Chinese herbs that are commonly used and widely known for their medicinal properties and edibility. Although they may have a similar appearance and vary slightly in chemical composition, their effectiveness as medicine and their use in clinical settings vary significantly, making them unsuitable for substitution. In this study, a novel 2 × 3 six-channel fluorescent sensor array is proposed that uses machine learning algorithms in combination with the indicator displacement assay (IDA) method to quickly identify LJF and LF. This array comprises two coumarin-based fluorescent indicators (ES and MS) and three diboronic acid-substituted 4,4'-bipyridinium cation quenchers (Q1-Q3), forming six dynamic complexes (C1-C6). When these complexes react with the ortho-dihydroxy groups of phenolic acid compounds in LJF and LF, they release different fluorescent indicators, which in turn causes distinct fluorescence recovery. By optimizing eight machine learning algorithms, the model achieved 100% and 98.21% accuracy rates in the testing set and the cross-validation predictions, respectively, in distinguishing between LJF and LF using Linear Discriminant Analysis (LDA). The integration of machine learning with this fluorescent sensor array shows great potential in analyzing and detecting foods and pharmaceuticals that contain polyphenols.


Assuntos
Lonicera , Lonicera/química , Corantes Fluorescentes/química , Espectrometria de Fluorescência/métodos , Aprendizado de Máquina , Cumarínicos/química , Cumarínicos/análise , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Extratos Vegetais/química , Extratos Vegetais/análise
10.
Biomed Chromatogr ; 38(11): e6014, 2024 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-39299923

RESUMO

Xiao-Jian-Zhong-Tang (XJZT) has the effect of warming the middle and tonifying the deficiency, easing the urgency and relieving pain according to the theory of traditional Chinese medicine (TCM), and is able to treat spleen deficiency type chronic atrophic gastritis (CAG). Metabolites of TCM in cecum contents are common metabolites of intestinal bacteria and hosts, which can reflect the metabolic status in disease states. The present work was performed to study the effect of XJZT against CAG coupled with the cecal metabolites analysis and bioinformatics. A total of nine prototypical components and 144 metabolites were firstly identified in the cecum metabolites of XJZT using ultra-high performance liquid chromatography added to the quadrupole-time of flight mass spectrometry (UHPLC-Q-TOF/MS), which underwent the metabolism of oxidation, reduction, methylation, and glucuronic acid reaction Furthermore, different prototypical compounds might metabolize into identical metabolites in the presence of intestinal flora. Bioinformatics was further used to correlate these metabolites with the disease and intestinal flora. Components and targets were screened by Cytoscape, and molecular docking of key targets and core components showed good binding ability. This study provided important information for exploring the mechanism of TCM formulae.


Assuntos
Biologia Computacional , Medicamentos de Ervas Chinesas , Gastrite Atrófica , Ratos Sprague-Dawley , Animais , Gastrite Atrófica/metabolismo , Gastrite Atrófica/microbiologia , Gastrite Atrófica/tratamento farmacológico , Medicamentos de Ervas Chinesas/metabolismo , Medicamentos de Ervas Chinesas/farmacologia , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Ratos , Biologia Computacional/métodos , Cromatografia Líquida de Alta Pressão/métodos , Masculino , Simulação de Acoplamento Molecular , Espectrometria de Massas/métodos , Metaboloma/efeitos dos fármacos , Metaboloma/fisiologia , Metabolômica/métodos
11.
Mikrochim Acta ; 191(10): 607, 2024 09 18.
Artigo em Inglês | MEDLINE | ID: mdl-39289224

RESUMO

A functional material was developed with specific recognition properties for aflatoxins for pre-processing enrichment and separation in the detection of aflatoxins in Chinese herbal medicines. In the experiment, ethyl coumarin-3-carboxylate, which has a highly similar structure to the oxonaphthalene o-ketone of aflatoxin, was selected as a pseudo-template, zinc acrylate, neutral red derivative, and methacrylic acid, which have complementary functions, were selected as co-monomers to prepare a pseudo-template multifunctional monomer molecularly imprinted polymer (MIP). The MIP obtained under the optimal preparation conditions has a maximum adsorption capacity of 0.036 mg/mg and an imprinting factor of 3.67. The physical property evaluation of the polymers by Fourier infrared spectrometer, scanning electron microscopy, pore size analyzer, thermogravimetric analyzer, and diffuse reflectance spectroscopy showed that the MIP were successfully prepared and porous spherical-like particles were obtained. The synthesized polymer was used as a solid-phase extraction agent for the separation of aflatoxins from the extract of spina date seed. The linear range of the developed method was 10-1000 ng/mL, the limit of detection was 0.36 ng/mL, the limit of quantification was 1.19 ng/mL, and the recoveries of the extracts at the concentration level of 0.2 µg/mL were in the range 88.0-93.4%, with relative standard deviations (RSDs) of 1.97% (n). The results showed that the preparation of MIPs using ethyl coumarin-3-carboxylate as a template was simple, economical, and convenient. It is expected to become a promising functional material for the enrichment and separation aflatoxins from complex matrices.


Assuntos
Aflatoxinas , Polímeros Molecularmente Impressos , Extração em Fase Sólida , Aflatoxinas/análise , Polímeros Molecularmente Impressos/química , Extração em Fase Sólida/métodos , Adsorção , Impressão Molecular , Limite de Detecção , Acrilatos/química , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Metacrilatos/química , Polímeros/química
12.
Zhongguo Zhong Yao Za Zhi ; 49(16): 4427-4436, 2024 Aug.
Artigo em Chinês | MEDLINE | ID: mdl-39307779

RESUMO

The volatile components of Atractylodis Rhizoma have obvious pharmacological effects and are considered to be the main dry components of Atractylodis Rhizoma. The differences of different processed products of Atractylodis Rhizoma were analyzed from the perspective of volatile oil changes to explain the reasons for dryness reduction and efficacy increase of Atractylodis Rhizoma after processing. HS-GC-MS technology was used to obtain the volatile components of raw Atractylodis Rhizoma, bran-fried Atractylodis Rhizoma, roasted Atractylodis Rhizoma, and rice-water processed Atractylodis Rhizoma under four different processes, and then SIMCA software was used to analyze the volatile oil components of Atractylodis Rhizoma and its different processed products. A total of 87 volatile components were identified in the HS-GC-MS results. A total of 76 volatile components were identified in raw products; 79 volatile components were identified in bran-fried Atractylodis Rhizoma; 70 volatile components were identified in Zhangbang rice-water processed Atractylodis Rhizoma; 81 volatile components were identified in roasted Atractylodis Rhizoma; 78 volatile components were identified in Hunan rice-water processed Atractylodis Rhizoma; 73 volatile components were identified in Jilin rice-water processed Atractylodis Rhizoma, and 77 volatile components were identified in Shanghai rice-water processed Atractylodis Rhizoma. Through multivariate statistical analysis, it was found that there were significant differences between the processed products of Atractylodis Rhizoma. Then, a total of 28 significant differential components between the symbiotic products and the six processed products were established by the OPLS-DA model. Among them, 11 volatile components that generally increased significantly after processing were α-pinene, phellandrene,(1S)-(+)-3-carene, o-isopropyltoluene, D-limonene, α-ocimene, α-isoterpinene, silphiperfol-5-ene,silphinene, γ-alkenyl, and germacrene B, which may be related to their synergistic effect. Five volatile components that generally decreased significantly after processing were ß-elemene, 1-methyl-4-(6-methylhept-5-en-2-yl) cyclohexa-1, 3-diene, ß-selinene,ß-sesquiphellandrene, and atractylon, which may be related to their dryness.


Assuntos
Atractylodes , Medicamentos de Ervas Chinesas , Cromatografia Gasosa-Espectrometria de Massas , Óleos Voláteis , Rizoma , Atractylodes/química , Cromatografia Gasosa-Espectrometria de Massas/métodos , Rizoma/química , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Óleos Voláteis/química , Óleos Voláteis/análise , Compostos Orgânicos Voláteis/análise , Compostos Orgânicos Voláteis/química
13.
Zhongguo Zhong Yao Za Zhi ; 49(16): 4477-4487, 2024 Aug.
Artigo em Chinês | MEDLINE | ID: mdl-39307784

RESUMO

Aurantii Fructus Immaturus(AFI) is a traditional Chinese herbal medicine with multiple origins from Citrus aurantium and its legally cultivated variants. With advancements in agricultural biotechnology, many new cultivated varieties have sprung up,leading to an abundance of AFI adulterants and chaos in the herbal medicine markets. This study developed a specific identification method for AFI and its closely related adulterants by examining the appearance trait, content of extract, and multiple ingredients,involving indicators such as the ratio of pulp capsule to cross section diameter(Pc/Cs ratio), the content of extract, and the profile of 11 ingredients. The research finds that:(1) Pc/Cs ratio can conveniently identify adulterants such as Poncirus trifoliata, Ju, and Babagan from the genuine AFI.(2) The extract content can be used to identify adulterants originated from C. wilsonii with C. aurantium.(3) The contents of synephrine in all the samples were in accordance with the Chinese Pharmacopoeia except for the adulterants from P. trifoliata, C. wilsonii, C. aurantium 'Changshanhuyou' and orah mandarins. The synephrine content was high as 1. 40% in some C. sinensis varieties. The mass fraction of hesperidin was over 10. 00% in C. sinensis, while it was below 2. 50% in C. aurantium. C. aurantium contained high levels of naringin(3. 96%-15. 21%) and neo-hesperidin(9. 38%-21. 93%).(4) The compositions of adulterants from P. trifoliata and C. wilsonii were more similar to that of C. aurantium 'Daidai', but with significantly lower neo-hesperidin content(0. 03%-0. 14%) than that in C. aurantium, and they lacked hesperetin and tangeretin. C. maxima(originating from C. maxima) showed closer composition to Choucheng and hybrid originated from Citrus aurantium × Poncirus trifoliata, but had higher hesperidin content(3. 13%) than that in C. aurantium. Ju was closely related to C. sinensis and neither contained naringin nor neo-hesperidin. Hesperidins in Babagan and orah mandarins were similar to that in C. sinensis, with none containing rhoifolin. These quality indicators in combination can accurately distinguish between C. sinensis, C. aurantium, and their closely related adulterants(P. trifoliata, C. wilsonii, C. maxima, orah mandarins and C. reticulata), which are expected to provide a systematic method for quality control of AFI.


Assuntos
Citrus , Contaminação de Medicamentos , Medicamentos de Ervas Chinesas , Controle de Qualidade , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Citrus/classificação , Citrus/química , Cromatografia Líquida de Alta Pressão , Hesperidina/análise , Hesperidina/química , Hesperidina/análogos & derivados , China , Sinefrina/análise
14.
Zhongguo Zhong Yao Za Zhi ; 49(16): 4450-4459, 2024 Aug.
Artigo em Chinês | MEDLINE | ID: mdl-39307781

RESUMO

In this paper, a method for rapidly determining the content of chlorogenic acid, neochlorogenic acid, cryptochlorogenic acid, gardeniside, and strychnoside in Reduning Injection(RI) was established based on near-infrared spectroscopy(NIRS), midinfrared spectroscopy(MIRS), and spectral fusion technology. Six pretreatment methods and five variable screening methods were investigated, and the best method was selected to establish a partial least square(PLS) model of two single spectra. At the same time,the NIRS and MIRS were fused with equal weights and characteristic bands, and the PLS model was established. The prediction effect of the four models on the quality control components was compared: NIRS>characteristic band fusion>MIRS>equal weight fusion. The relative standard error of prediction(RSEP) of the NIRS models on the five quality control components was less than 2. 5%, and the ratio of performance to deviation(RPD) was greater than 9. 5. The results show that the single spectrum model of NIRS is the best quantitative detection method, and the model of NIRS combined with the PLS algorithm can be used for the rapid detection of Reduning Injection.


Assuntos
Medicamentos de Ervas Chinesas , Espectroscopia de Luz Próxima ao Infravermelho , Espectroscopia de Luz Próxima ao Infravermelho/métodos , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Controle de Qualidade , Análise dos Mínimos Quadrados
15.
Zhongguo Zhong Yao Za Zhi ; 49(17): 4572-4577, 2024 Sep.
Artigo em Chinês | MEDLINE | ID: mdl-39307795

RESUMO

Gastrodiae Rhizoma is a valuable traditional Chinese medicine(TCM) and was newly approved as a catalogue species of medicinal and food homologous substances in 2023. The consumption of Gastrodiae Rhizoma as a food has been increasing year by year, and its nutrients content has become a public concern. However, there is a lack of systematic research on its nutrients content. Gastrodiae Rhizoma is widely distributed and exhibits various specifications. The quality of Gastrodiae Rhizoma varies among different varieties, origins, and grades. In this paper, 76 batches of samples were selected, involving 2 varieties(G. elata f. elata and G. elata f. qlauca), 6 origins(Anhui, Shaanxi, Hubei, Yunnan, Henan and Northeast China) and 5 grades(special grade, first grade, second grade, third grade, and fourth grade). The content of main nutrients of the above samples was determined and analyzed to explore the differences in the content of different specifications of Gastrodiae Rhizoma. The results show that Gastrodiae Rhizoma is rich in a variety of nutrients, including protein, fat, starch, crude fiber, total saponins, moisture, polysaccharides, mineral elements, amino acids, and volatile oils. The total mass of volatile oils reached about 96.00%. The percentages of starch, moisture and polysaccharides werethe highest, accounting for 64.52%, 10.45%, and 8.32%, respectively. There were also differences in nutrient content among different specifications, especially the polysaccharide content of different varieties. Therefore, the research direction of Gastrodiae Rhizoma medicinal and food homologous products can be inclined to the development of meal replacement staple food or polysaccharide functional food. This study provides a reference for the research of Gastrodiae Rhizoma in the field of medicinal and food homologous products.


Assuntos
Medicamentos de Ervas Chinesas , Gastrodia , Nutrientes , Rizoma , Rizoma/química , Gastrodia/química , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Nutrientes/análise , China , Polissacarídeos/análise , Polissacarídeos/química , Saponinas/análise , Saponinas/química
16.
Zhongguo Zhong Yao Za Zhi ; 49(17): 4553-4561, 2024 Sep.
Artigo em Chinês | MEDLINE | ID: mdl-39307792

RESUMO

As people's living standards and awareness of health care are increasing in recent years, the demand for the medicinal and food homologous substances is rising. Promoting the healthy development of this industry to meet people's growing demand and popularizing the TCM concept of preventive treatment of diseases are essential for building a healthy China. The abuse of pesticides by some growers in the one-sided pursuit of economic benefits causes serious pesticide residue, which affects the safety and effectiveness of the medicinal and food homologous substances. Since pesticide residues has received increasing attention, the reasonable control of pesticide residues becomes an important part of the research on these herbs, which, however, is rarely studied. This paper reviewed the publications involving pesticide residues in the cultivation of medicinal and food homologous substances that were published in the last two decades, and put forward the problems faced by the cultivation. According to the current situation of this industry, this paper proposed the management suggestions for the control of pesticide residues in the cultivation. This review will provide the government with data and references for formulating relevant policies and standards to promote the high-quality development of the industry of medicinal and food homologous substances and guarantee the development of TCM and the building of a healthy China.


Assuntos
Resíduos de Praguicidas , Resíduos de Praguicidas/análise , China , Plantas Medicinais/química , Plantas Medicinais/crescimento & desenvolvimento , Praguicidas/análise , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/normas , Medicamentos de Ervas Chinesas/análise , Humanos , Contaminação de Alimentos/análise , Contaminação de Alimentos/prevenção & controle
17.
Zhongguo Zhong Yao Za Zhi ; 49(17): 4630-4636, 2024 Sep.
Artigo em Chinês | MEDLINE | ID: mdl-39307801

RESUMO

The pollution of heavy metals and harmful elements in traditional Chinese medicine is one of the main problems that hinder the internationalization of traditional Chinese medicine. At present, major developed countries have incorporated elemental residues into drug risk assessment to ensure drug quality and safety, while China's drug risk assessment system is still in its infancy. In recent years, China has made efforts to improve the risk assessment system of traditional Chinese medicine. Researchers have reported the risk assessment of heavy metals and harmful elements in traditional Chinese medicine, aiming to evaluate the quality and safety of traditional Chinese medicine and promote the integration of traditional Chinese medicine with international standards. This study reviews the research reports in recent years, compares the pharmacopoeia standards of major developed countries, pinpoints the similarities and differences between different drugs in terms of hazard identification, hazard characteristics, and assessment methods, and discusses the possible problems and development directions of the risk assessment system of traditional Chinese medicine. This review is expected to improve the limit standards of traditional Chinese medicine elements and the risk assessment system of traditional Chinese medicine, thus providing support for enhancing the international competitiveness of traditional Chinese medicine products.


Assuntos
Medicamentos de Ervas Chinesas , Medicina Tradicional Chinesa , Metais Pesados , Metais Pesados/análise , Medição de Risco , Humanos , Medicamentos de Ervas Chinesas/análise , Medicamentos de Ervas Chinesas/efeitos adversos , China , Contaminação de Medicamentos , Animais
18.
Zhongguo Zhong Yao Za Zhi ; 49(17): 4768-4776, 2024 Sep.
Artigo em Chinês | MEDLINE | ID: mdl-39307811

RESUMO

This study established an ultra-high performance liquid chromatography-tandem mass spectrometry(UPLC-MS/MS) method to determine the content of five index components in rat tissues and organs after administration of Shuganning Injection or Scutellariae Radix extract. The dynamic changes and differences of the distribution of the five index components over time between the two groups were studied, and the effects of Scutellariae Radix alone or in combination with other medicines on the tissue distribution of the five components were explored. After Shuganning Injection or Scutellariae Radix extract was injected into the tail vein of rats, the heart, liver, spleen, lung, kidney, stomach, intestine, and brain tissue samples were collected at four time points of 0.17, 0.5, 1, and 2 h, respectively. UPLC-MS/MS was employed to measure the concentrations of the five index components(baicalin, baicalein, oroxylin A, oroxylin A-7-O-ß-D-glucuronide, and scutellarin) in the samples of the two groups. The results showed that the established method was simple, fast, and exclusively stable. After the administration of Shuganning Injection and Scutellariae Radix extract, the five index components presented wide distribution and had differences in vivo. The two groups showcased abundant distribution of baicalin, baicalein, and oroxylin A in the kidney and liver, oroxylin A-7-O-ß-D-glucuronide in the kidney and brain, and scutellarin in the kidney and heart. The content of baicalin in the heart, liver, kidney, and intestine, baicalein in the liver and kidney, and oroxylin A in the lung after administration of Shuganning Injection(Scutellariae Radix in combination with other medicines) was significantly higher than that after administration of Scutellariae Radix extract. The results of this study suggested that the five components of Shuganning Injection and Scutellariae Radix extract demonstrated wide distribution without accumulation in rats. The combination of Scutellariae Radix with other medicines can increase the distribution of active components in rats, which provided a basis for explaining the rationality of the compatibility of Shuganning Injection from in vivo processes.


Assuntos
Medicamentos de Ervas Chinesas , Flavonoides , Ratos Sprague-Dawley , Scutellaria baicalensis , Espectrometria de Massas em Tandem , Animais , Scutellaria baicalensis/química , Espectrometria de Massas em Tandem/métodos , Ratos , Distribuição Tecidual , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/farmacocinética , Medicamentos de Ervas Chinesas/análise , Cromatografia Líquida de Alta Pressão/métodos , Masculino , Flavonoides/análise , Flavanonas/análise , Extratos Vegetais/química , Apigenina/análise , Espectrometria de Massa com Cromatografia Líquida
19.
Zhongguo Zhong Yao Za Zhi ; 49(17): 4617-4629, 2024 Sep.
Artigo em Chinês | MEDLINE | ID: mdl-39307800

RESUMO

Variety identification is the prerequisite and foundation for ensuring the quality of traditional Chinese medicine. The safety risks, legal risks, and regulatory trends underline the importance of traditional Chinese medicine varieties. With the industrialization of traditional Chinese medicine and the production of Chinese medicinal materials from wild growing to cultivation and breeding, new varieties of traditional Chinese medicine keep emerging. At the same time, facing the requirements of the entire process control of traditional Chinese medicine quality under the new situation, the current identification technology of traditional Chinese medicine is facing severe challenges. According to the current situation and evolution trend of technologies for traditional Chinese medicine identification, chemical components as the material basis for the effects of traditional Chinese medicine not only have rich characteristics but also can run through the entire quality formation and transmission process of traditional Chinese medicine. Identifying traditional Chinese medicine based on chemical components is the only way to achieve integrated medicine quality and whole-process quality control. The introduction of modern analytical instruments improves the scope and efficiency of obtaining chemical information of traditional Chinese medicine. Big data and artificial intelligence provide new opportunities for deeply interpreting the scientific connotation of chemical characteristic information of traditional Chinese medicine and comprehensively identifying traditional Chinese medicine based on chemical characteristics. Artificial intelligence can be employed to extract high-dimensional chemical information patterns from comprehensive chemical quantitative information collected from a large number of samples, remove the interference of noise information, and discover the chemical characteristics(components, quantity values, and relative proportions of components) that determine the variety. This approach can help to achieve integrated quality identification based on chemical characteristics, reflect the quality transmission process of traditional Chinese medicine, and achieve quality information traceability, providing support for building a whole-process quality control system of traditional Chinese medicine.


Assuntos
Medicamentos de Ervas Chinesas , Medicina Tradicional Chinesa , Controle de Qualidade , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Inteligência Artificial
20.
Mikrochim Acta ; 191(10): 629, 2024 09 27.
Artigo em Inglês | MEDLINE | ID: mdl-39331185

RESUMO

A ratiometric fluorescence sensor (Fe-MIL-88-NH2/curcumin) based on luminescent metal-organic frameworks (LMOFs) for the determination of curcumin was constructed. Upon the addition of curcumin, the 535-nm emission of curcumin was enhanced, while the fluorescence emission at 438 nm was quenched, under 367-nm excitation. This sensor demonstrated a broad linear range from 1.5 to 40 µM, a low detection limit of 35 nM, and a fast response time of at most 30 s. We verified the Förster resonance energy transfer (FRET) mechanism between donor (Fe-MIL-88-NH2) and acceptor (curcumin), which further proved the selectivity of the approach. The sensing system enabled the detection of curcumin in the traditional Chinese medicine (TCM) Turmeric. A smartphone-assisted sensing platform was prepared to visually detect curcumin in a portable manner. This study represents the first attempt to fabricate LMOFs for ratiometric fluorescence detection of curcumin, which has promising potential for application in TCM.


Assuntos
Curcumina , Transferência Ressonante de Energia de Fluorescência , Corantes Fluorescentes , Limite de Detecção , Smartphone , Curcumina/química , Transferência Ressonante de Energia de Fluorescência/métodos , Corantes Fluorescentes/química , Estruturas Metalorgânicas/química , Medicina Tradicional Chinesa , Curcuma/química , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise
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