Phytochemical Analysis最新文献

Introduction: Blood stasis syndrome (BSS) is one of the common syndromes in traditional Chinese medicine. The Chinese medicine compound composed of "Danggui-Guizhi (DG-GZ)"as the core has the effect of reducing blood stasis and promoting blood circulation. However, the difference of efficacy of DG-GZ traditional decoction and dispensing granules in reducing blood stasis are still unclear.

Objective: Investigation of the difference of decoction and dispensing granules of Danggui (DG) and Guizhi (GZ) in blood stasis syndrome (BSS) in an animal study (Six groups, n = 6).

Methodology: All rats were randomly divided into six groups: control, model, Danggui-Guizhi dispensed granules ( DGK-GZK), Danggui-Guizhi decoction (DG-GZ), Danggui granules-Guizhi decoction (DGK-GZ), and Danggui decoction -Guizhi granules (DG-GZK) groups (n = 6). The blood stasis model was constructed by exposing rats to ice-cold water. Whole blood viscosity (WBV) was used to compare the effects of DG-GZ (4:3 w/w) decoction and dispensing granules in improving BSS. Metabolomics analysis of urine and 16S rRNA gene sequencing were used to investigate metabolic analysis and gut microbiota changes in rats with BSS.

Results: The results of WBV showed that DG-GZ and its granules exhibited efficacy against blood stasis, and the effect of DGK-GZK in relieving blood stasis was greater than that of other administration groups. Urine metabolomics demonstrated that DGK-GZK could reverse the abnormal levels of butyrate, citrate, taurine, creatinine, glucose, and other metabolites in BSS rats. DGK-GZK could promote the enrichment of the g__Prevotellaceae_NK3B31_group, g__Ligilactobacillus, and g__Roseburia.

Conclusions: The effect of DGK-GZK intervention in BSS was stronger than that of other compound groups. This study also provides basic experimental data for exploring the difference in efficacy between traditional decoction and dispensing granules.

Introduction: The Zingiberaceae family is well known for its therapeutic characteristics, notably its antidiabetic and antioxidant potential, which may be linked to its diverse bioactive metabolite composition. Despite widespread usage in traditional medicine, there has been little research on the chemical composition and biological activity of Zingiberaceae plants from Manipur, India.

Objective: This study aims to comprehensively profile metabolites and evaluate the antidiabetic and antioxidant properties of seven Zingiberaceae species through in vitro assays and in silico molecular docking analysis.

Methods: Hydroalcoholic extracts of Curcuma caesia, Kaempferia parviflora, Curcuma zedoaria, Zingiber officinale, Curcuma angustifolia, Curcuma aromatica, and Curcuma longa were examined. TPC and TFC were measured using Folin-Ciocalteu and Aluminum chloride colorimetry. Antidiabetic efficacy was assessed by α-glucosidase and α-amylase inhibition tests. DPPH and ABTS tests measured antioxidant activity. GC-MS was used for metabolite profiling, and molecular docking was used to explore bioactive compound-antidiabetic protein interactions (3L4Y, 5UBA, NOX1).

Results: C. caesia showed the highest TPC (85.41 GAE mg/g) and TFC (126.15 QE mg/g). Z. officinale, C. angustifolia, and K. parviflora exhibited significant α-glucosidase (74%-80%) and α-amylase (62%-73%) inhibition, surpassing acarbose. Strong antioxidant activity was observed, especially in C. caesia and Z. officinale. GC-MS identified 61 bioactive compounds, with molecular docking showing strong interactions of gingerol and zederone with 3L4Y and 5UBA, and germacrone and β-sesquiphellandrene with NOX1.

Conclusions: Seven Zingiberaceae species from Manipur exhibit notable antidiabetic and antioxidant potential, with C. caesia and Z. officinale showing superior efficacy. Key bioactives like gingerol, zederone, germacrone, and β-sesquiphellandrene demonstrated strong therapeutic target interactions, supporting their pharmacological potential.

Introduction: Current standards for identifying the characteristics of Qingpi (QP) primarily depend on traditional empirical methods, which are both time-consuming and labor-intensive. Therefore, there is significant potential for developing a rapid and nondestructive identification method.

Objective: This work aims to realize fast and effective identification of QP and its processed products, to provide a basis for quality assurance and monitoring of QP and its processed products, and to provide reference for guiding the practical work of traditional Chinese medicine (TCM) identification.

Methods: In this study, we employed three advanced technologies-electronic eye (E-eye), fast gas chromatography electronic nose (Fast GC e-nose), and Fourier transform near-infrared (FT-NIR) spectroscopy-to analyze the color, odor, and absorbance of QP samples.

Results: The E-eye digitized the appearance color of various QP samples, and subsequent discriminant analysis, combined with statistical methods, confirmed the feasibility of the discriminant function obtained. Additionally, the Fast GC e-nose provided valuable odor information, identifying 18 distinct odor components. Based on variable importance in projection (VIP) analysis, four components were hypothesized as potential odor markers for distinguishing QP raw products (SQP) from vinegar processed products (CQP). According to the accuracy of the support vector machine (SVM) classification model, the NIR preprocessing method is screened. Alongside SVM, three classification models are chosen for simultaneous evaluation and verification. Notably, the test set recognition rate for all four classification models reached 100%.

Conclusion: E-eye, Fast GC e-nose, and NIR technology enable rapid, nondestructive identification and preliminary quality evaluation of QP products.

Introduction: Wendan decoction (WDD), a classic Chinese medicine formula, has been used for the treatment of insomnia for hundreds of years. However, the current research on the chemical composition and the material basis of the medicinal effect of WDD is not perfect, which limits further research on it.

Objectives: In the present study, we aimed to propose a methodology for the quality control of WDD based on qualitative and quantitative analysis of its components.

Methods: The chemical composition of WDD was identified through UPLC-Q-Exactive Orbitrap MS technology. Then, high-performance liquid chromatography was utilized to establish the fingerprint of 10 batches of WDD and determine the content of some common peaks. The quality evaluation and quality control of WDD were implemented from three aspects: chemical composition, fingerprint, and content determination.

Results: The study initially identified 113 chemical components, including 51 flavonoids, 13 amino acids, seven nucleotides, five alkaloids, eight phenylpropanoids, eight terpenoids, 12 organic acids, and nine other compounds. In this study, the fingerprint of WDD was established by HPLC, and a total of 23 common peaks were found and seven common peaks were determined. The similarity (R) between 10 batches of WDD fingerprints and reference fingerprints was greater than 0.993. The results of methodological verification met the requirements.

Conclusion: Based on the three dimensions of qualitative analysis, fingerprint, and content determination, this study explored the quality control of WDD and selected seven flavonoids as quality evaluation indexes of WDD, thus laying a solid foundation for subsequent pharmacodynamic research.

Introduction: Pine needles are a rich source of bioactive compounds, and there are few reports on the extraction and identification of active substances in various types of pine needles.

Objectives: The objective of this study is to enhance the efficiency and yield of pine needle essential oil extraction by employing an innovative ultrasonic-assisted salt-out hydrodistillation technology. It also aims to establish a correlation between gas chromatography-mass spectrometry (GC-MS) and electronic nose (E-nose) to distinguish essential oils from Cedrus deodara, Pinus thunbergii, Pinus massoniana, and Pinus koraiensis.

Methods: Optimal extraction conditions will be determined through dynamic curve fitting and response surface analysis. Essential oils will be analyzed by E-nose and GC-MS coupled with chemometrics. Radical-scavenging effects on ·OH, DPPH·, ABTS⁺ radicals, and antibacterial activity against Escherichia coli and Staphylococcus aureus will be evaluated.

Results: Optimal extraction conditions were 100 min of distillation, 7.762% sodium chloride, 9.596-mL/g liquid material ratio, and 170.155-W ultrasonic power. Essential oil yields were 0.144%, 0.214%, 0.425%, and 0.852% for C. deodara, P. thunbergii, P. massoniana, and P. koraiensis, respectively. GC-MS identified 74 volatile components. PLS-DA revealed nine key compounds, including α-Myrcene, α-Pinene, α-Phellandrene, Limonene, Caryophyllene, Bornyl acetate, β-Pinene, Germacrene D, and Camphene. PCA of E-nose and GC-MS data highlighted sample differences. All essential oils exhibited antioxidant and antibacterial activities, linked to α-pinene, β-Pinene, and Germacrene D.

Conclusion: This study introduces efficient methods for efficient extraction and characterization of pine needle essential oils, providing a foundation for bioactive applications and enhancing product quality and global innovation in the industry.

Introduction: In this work, we developed a novel sensing technique based on food in edible "waste" recycling approach. The eco-friendly and rapid strategy is based on microwave pyrolysis bottom-up technique for date kernels (DK) and thiourea, resulting in the formation of sensor probe based on carbon dots (CDs) for quantification of carbidopa (CAR) and eltrombopag (ELT).

Objectives: Discriminatory switch-off fluorescent nanosensors were utilized for the quantitation of two frequently administered drugs: CAR and ELT in nano dimension levels.

Material and methods: Versatile spectroscopic techniques were used for characterization. Spectrofluorimetric quenching approach is applied for this study. The interference likely to be introduced from other drugs was studied. The analytical greenness for sample preparation (AGREE prep) and complex green analytical procedure index (complex GAPI) metric tools were applied to evaluate the developed approach environmental impact.

Results: Both CAR and ELT exhibited static quenching to the sulfur and nitrogen date kernels carbon dots (S, NDKCDs) with high quantum yield of 53% with λex of 330 nm and λem at 410 nm over the ranges of 50.0-600.0 ng/mL and 100.0-1000.0 ng/mL, independently with high %Recovery from 98.5 to 102, low relative standard deviation (RSD) < 2%.

Conclusion: The developed method was validated in adherence to the ICH Q2(R1) guidelines. The synthesized carbon nanodots were exploited for the quantitation of each of CAR and ELT in their pure forms, pharmaceutical preparations, and human plasma samples with outstanding greenness metrices.

Introduction: Despite significant advances in analytical methods, the quality evaluation and adulteration detection of chemically complex traditional Chinese medicines continues to be a major challenge.

Objectives: We developed a custom diffusion-ordered spectroscopy (DOSY) approach for the qualitative analysis of precious Calculus Bovis (CB) and detection of its adulterants.

Methods: Using Artificial Calculus Bovis as an example, we focused on the effects of NMR spectrometers, solvent viscosity, matrices, matrix concentration, and temperature on separation efficiency of DOSY. The optimal conditions also successfully applied for the identification of Natural Calculus Bovis, Calculus Bovis Sativus, and adulterated samples. The accuracy of DOSY was verified by ¹³C NMR.

Results: Via inspection of NMR spectrometers, solvents, matrices, matrix concentration, and temperature, the optimal conditions for DOSY experiments of CB were found to be using methanol-d₄ as the solvent, adding 4 mg of polyvinyl pyrrolidone (PVP) as the matrix, and a temperature of 298 K. Under these conditions, five types of compounds, cholic acid (CA), deoxycholic acid (DCA), hyodeoxycholic acid (HDCA), taurine-conjugated bile acids (tBAs), and glycine-conjugated bile acids (gBAs), were unequivocally identified in three types of CB. ¹³C NMR validated the accuracy of the DOSY results. As for the sugar-adulterated CB, the signals of sugar could be clearly identified on the DOSY spectrum.

Conclusions: This study verified the feasibility of DOSY for the quality evaluation of CB and provided a reference point for future qualitative and quantitative analysis of other complex traditional Chinese medicines, as well as the characterization of adulterated samples.

Introduction: Diterpene lactones in Andrographis paniculata are essential bioactive compounds that contribute to the herb's medicinal properties. The main diterpene lactones in A. paniculata are andrographolide and its derivatives. Spontaneous degradation of the diterpene leads to a short-term stability and casts a significant problem in storage and distribution of A. paniculata raw materials and products.

Objective: To determine the stability of diterpene lactones in A. paniculata extracts and their transformation dynamics.

Materials and methods: A ¹H NMR-based metabolomics workflow and HPLC-based quantitative determination were used to map the stability profiles in A. paniculata extract stored in the standard storage conditions over a 6-month period.

Results: Qualitatively, NMR-based PCA detected both descending and ascending dynamics in transformation of diterpene lactones in A. paniculata extracts over a 6-month storage period. The contents of five lactone markers, compounds 1-5, in storage A. paniculata extracts were monitored to show that compounds 1 and 5 degraded with decelatory rates and presumably transformed via dehydration into compound 3, which otherwise increased also in a coherently decelatory manner. Lacking of the labile allylic hydroxyl group, compounds 2 and 4 were more stable and remained unchanged throughout the storage period.

Conclusion: The short-term stability of A. paniculata extracts and related products was primarily attributed to the dehydration of 1 and it allylic hydroxy analogs, for example, 5, into a diene as in 3. Compound 3 is hence recommended as a plausible candidate as the stability and age marker of A. paniculata raw materials and products.

Introduction: Shenqi Tongmai oral liquid (SQTM) is famous for its remarkable effect in the treatment of cardiovascular diseases. However, the SQTM quality evaluation system has not been established.

Objective: The objective of this study is to establish a method for the determination of nine components of SQTM and to screen quality control indicators to comprehensively evaluate the quality of SQTM.

Methods: The fingerprints of SQTM were established, and the contents of nine components in 17 batches of SQTM were determined based on quantitative analysis of multicomponents by single marker (QAMS). The antioxidant activity of samples was determined by the DPPH method and hydroxyl method, and the correlation between the content of nine components and antioxidant activity was analyzed by gray relational analysis (GRA), bivariate correlation analysis (BCA), and partial least squares regression (PLSR). The antioxidant activity of the monomers was confirmed through molecular docking techniques and in vitro experiments.

Results: There was no significant difference in the content between the QAMS method and the external standard method (p > 0.05). The findings from multivariate statistics, molecular docking, and in vitro validation indicated that rosmarinic acid, luteolin, and protocatechualdehyde exhibited significant antioxidant activities, which were important pharmacodynamic components that exerted antioxidant effects and could serve as quality markers (Q-Markers).

Conclusion: The study elucidated the Q-Markers of SQTM and provided a relatively comprehensive approach for the assay of SQTM, which is a promising advance in the quality control of SQTM.

Introduction: Callicarpa rubella is a notable folk medicinal plant of the genus Callicarpa. It is extensively ethnobotanically used for its traditional uses to cure rheumatism, inflammation, and pain in traditional Chinese medicinal systems.

Objectives: This study aimed to isolate unreported diterpenoids with anti-inflammatory activities.

Material and methods: The planar structures of unreported compounds were characterized by interpreting 1D and 2D NMR spectra and HREIMS data. The absolute configurations were determined by comparing the experimental ECD spectra with calculated ECD ones. The potential anti-inflammatory activities of all isolated compounds were assessed by testing their in vitro inhibitory effects against superoxide anion generation and elastase release by human neutrophils in response to fMLP/CB.

Results: Investigation of chemical constituents from the leaves and twigs of C. rubella leads to the isolation of four unreported diterpenoids (1-4) along with 17 known diterpenoids (5-21). The results showed compounds 1, 3, 5-7, 9, 12, 16, 18, and 20 have potent inhibition against FMLP/CB-induced superoxide anion generation with IC₅₀ values range from 1.37 ± 0.09 μM to 6.29 ± 1.14 μM, while compounds 3, 6, 7, 9, 12, 16, 18, and 20 showed potent inhibition of elastase release with IC₅₀ ranging from 1.47 ± 0.15 μM to 5.79 ± 1.16 μM.

Conclusion: The results obtained from the current study will enhance our understanding of diterpenoids from the Callicarpa genus and support the identification of unreported diterpenoids with potential anti-inflammatory agents.