Ensuring the authenticity of geographical origin of food is essential for quality control and consumer trust. Using Astragali Radix (AR) as a case study, this research proposed a novel strategy that integrated the synthetic minority over-sampling technique (SMOTE), deep learning (DL) algorithms, and gas chromatography electronic nose (GC e-nose) for geographical origin identification of AR. The findings revealed that DL models combined with GC e-nose demonstrated a clear advantage over traditional machine learning methods. Furthermore, to address the substantial data requirements of DL, the SMOTE algorithm was introduced to augment small-sample datasets. The results indicated that SMOTE can enhance the performance of DL models across different sample sizes. Additionally, feature extraction algorithms were used to optimize the SMOTE-based data generation process, further improving the model's accuracy. In summary, this study presented a resource-efficient and scalable strategy for geographical origin identification of food.

Astragali Radix (AR) is a traditional Chinese medicine (TCM) widely used worldwide for its nutritional and medicinal benefits, but it is facing increasing quality issues. This article developed a novel method for quickly and accurately identifying AR's quality. In this study, spectroscopic techniques combined with data-driven soft independent modelling of class analogy (DD-SIMCA) and explainable artificial intelligence (XAI) were used to determine AR's geographic origins and predict its antioxidant activity. The results showed that preprocessed near-infrared (NIR) or raw visible (VIS) spectra with DD-SIMCA could accurately identify AR's authentic regions, with 100 % sensitivity, specificity, and accuracy. Additionally, XAI identified 80 features from NIR spectra and 33 from VIS spectra, both strongly correlated with AR's antioxidant activity. Fusing these features and integrating them with support vector machine led to significantly better model performance, with R2p of 0.9760, RPDP of 6.7447, RMSEP of 1.3824, and MAEP of 1.1088. Overall, this study provided valuable insights for the quality assessment of TCMs and other medicinal plants.

Background Dang-Gui-Bu-Xue decoction (DBD) is a traditional Chinese medicine prescription clinically employed for diabetic nephropathy (DN). However, the components and pharmacological mechanisms of DBD against DN remain incompletely understood. Purpose To clarify the beneficial effect of DBD on DN and to explore its nephroprotective effect's probable mechanism and the main components. Methods A diabetic mice model was established by feeding a high-fat diet (HFD) and intraperitoneal injections of streptozotocin (STZ, 40 mg‧kg-1). Subsequently, the mice were maintained on a HFD and administered with DBD. The benefits of DBD against DN were comprehensively assessed by monitoring energy and water intake, blood glucose and lipids, renal functions and pathological status. The UPLC-MS/MS was measured to detect chemical constituents in DBD and absorbed components in DBD-treated plasma under physiological and pathological states. Network pharmacology was employed to forecast the probable pathways of DBD intervention in DN, with subsequent validation of these predictions through testing biochemical parameters, anti-glycation and ELISA assays, immunofluorescence, immunohistochemistry, and western blotting. Then, a chemical derivatization method paired with UPLC-MS/MS analysis was performed to detect the carbonyl compounds in renal tissue. Finally, the main components of DBD against DN were screened by anti-glycation and MTT assays. Results DBD regulated energy and water intakes, glucose and lipid metabolism disorders, renal dysfunction, glomerular filtration rate, renal interstitial glycogen accumulation and fibrosis in HFD/STZ-induced DN mice. A total of 129 distinct chemical constituents in DBD were characterized, of which 28 were detected in the DBD-treated plasma under a pathological state. The network pharmacological results suggested AGEs/RAGE and its downstream pathway may be a potential pathway for DBD intervention in DN. Further experiments confirmed that DBD reduced renal oxidative stress by modulating the AGEs/RAGE pathway. Moreover, 21 differential carbonyl compounds were detected between normal and DN mice, and DBD significantly modulated 16. Ultimately, seven components were screened out in DBD, which may be the main components of DBD regulating carbonyl compounds metabolic profile and AGEs/RAGE pathway. Conclusion Our findings suggested for the first time that DBD could regulate the carbonyl compounds metabolic profile and AGEs/RAGE signaling pathway to ameliorate DN.

Panax notoginseng powder (PNP) is a widely consumed functional food and has shown promise in cardiovascular protection. However, its high price makes it often a target for economic adulteration. This study aims to build a rapid evaluation method for common adulterants of PNP using near-infrared (NIR) and/or visible (VIS) combined with Bayesian optimized machine learning algorithms. The results showed that the machine learning algorithms combined with a multi-spectra fusion strategy exhibited excellent performance in distinguishing different types of adulterated PNP, especially the deep learning algorithms (ANN and LSTM) with 100% test accuracy. Furthermore, machine learning algorithms coupled with VIS spectra had an obvious advantage in predicting the proportion of PNP adulteration, with all algorithms having a prediction accuracy R2p of over 0.99. Overall, multi-spectra combined with Bayesian optimized machine learning algorithms enables a rapid and accurate evaluation of PNP adulterants, which can also apply to other foods.

Co-amorphous systems (CAMs) have been extensively investigated to improve the dissolution of hydrophobic drugs. However, drug precipitation during the storage or dissolution of CAMs has still been a major challenge. Here, disodium glycyrrhizin (Na(2)GA) was first used as a co-former in CAMs based on its multiple hydroxyl groups and amphiphilic structure. Ketoconazole (KTZ), a BCS class II drug, was selected as a model drug. KTZ-Na(2)GA CAMs at mass ratios of 1:1, 1:2.5, 1:5 and 1:10 were prepared by the spray drying method and further characterised by PXRD and DSC. The 1:2.5, 1:5 and 1:10 groups exhibited significantly enhanced C-max (all approximately 26.67-fold) and stable maintenance of supersaturation compared to the crystalline KTZ and the corresponding physical mixtures in non-sink dissolution tests, while the 1:1 group exhibited an unstable medium C-max (all approximately 14.67-fold). The permeability tests revealed that the permeation rate of KTZ in KTZ-Na(2)GA CAMs under the concentration of Na(2)GA in solution above the critical micelle concentration (CMC) showed a significant downwards trend compared to that below CMC. The underlying molecular mechanisms were involved in molecular miscibility, hydrogen bond interactions, solubilisation and crystallisation inhibition by Na(2)GA. Pharmacokinetic studies demonstrated that the AUC(0-infinity) of KTZ in 1:1, 1:2.5, 1:5 and 1:10 groups were significantly higher than those of the crystalline KTZ group with 2.13-, 2.30-, 2.16- and 1.86-fold, respectively (p < 0.01). In conclusion, Na(2)GA has proven to be a promising co-former in CAMs to enhance hydrophobic drug dissolution and bioavailability. Its effect on intestinal permeation rate of drugs also deserves attention.

The authentic traditional Chinese medicines (TCMs) including Angelicae Sinensis Radix (ASR) are the representative of high-quality herbals in China. However, ASR from authentic region being adulterated or counterfeited is frequently occurring, and there is still a lack of rapid quality evaluation methods for identifying the authentic ASR. In this study, the color features of ASR were firstly characterized. The results showed that the authentic ASR cannot be fully identified by color characteristics. Then near-infrared (NIR) spectroscopy combined with Bayesian optimized Long Short-Term Memory (BO-LSTM) was used to evaluate the quality of ASR, and the performance of BO-LSTM with common classification and regression algorithms was compared. The results revealed that NIR spectroscopy combined with BO-LSTM not only successfully distinguished authentic, non-authentic and adulterated ASR with 100 % accuracy, but also accurately predicted the adulteration concentration of authentic ASR (R2>0.99). Moreover, BO-LSTM demonstrated excellent performance in classification and regression compared with common algorithms (ANN, SVM, PLSR, etc.). Overall, the proposed strategy could quickly and accurately evaluate the quality of ASR, which provided a reference for other TCMs.

A coordinated interaction between osteogenesis and the osteoimmune microenvironment plays a vital role in regulating bone healing. However, disturbances in the pro- and anti-inflammatory balance hinder the therapeutic advantages of biomaterials. In this study, a novel composite hydrogel was successfully fabricated using graphene oxide (GO)-loaded processed pyritum (PP) in combination with poly(ethylene glycol) diacrylate (PEGDA) and carboxymethyl chitosan (CMC). Subsequently, the immunomodulatory effects and bone regenerative potential of PP/GO@PEGDA/CMC were investigated. The results demonstrated that the PP/GO@PEGDA/CMC hydrogel possessed excellent mechanical properties, swelling capacity, and stability. Moreover, PP/GO@PEGDA/CMC prominently promoted M2 polarization and increased the levels of anti-inflammatory factors (interleukin (IL)-4, IL-10, and transforming growth factor-β). These beneficial effects facilitated the proliferation and osteogenic differentiation of bone marrow mesenchymal stem cells in vitro. Additionally, the in vivo results further verified that the implantation of PP/GO@PEGDA/CMC markedly reduced local inflammation while enhancing bone regeneration at 8 weeks post-implantation. Therefore, the results of this study provide potential therapeutic strategies for bone tissue repair and regeneration by modulating the immune microenvironment.

目的 采用混料设计的方法,对当归补血汤(Danggui Buxue Decoction,DBD)水提液进行喷雾干燥工艺研究,重点考察阿魏酸、藁本内酯等热不稳定性成分的保留率,优化喷雾干燥工艺.方法 以DBD喷干粉得率、吸湿性、流动性及指标性成分藁本内酯的含量为评价指标,对辅料进行筛选,同时基于混料设计对筛选辅料配比进行优化;在此基础上以喷干粉得率、阿魏酸、毛蕊异黄酮葡萄糖苷、藁本内酯含量及保留率,为指标进一步优化喷雾干燥工艺参数.结果 筛选辅料为羟丙基-β-环糊精、微粉硅胶和微晶纤维素,分别建立喷干粉得率、吸湿率、休止角与筛选辅料配比的回归方程,并优选辅料配比为干膏-羟丙基-β-环糊精-微粉硅胶-微晶纤维素0.500 ∶0.226 ∶0.222 ∶0.052;优选DBD喷干工艺参数为进风温度170℃,空气流速37 m3/h,雾化压力0.061 MPa,此条件下喷干粉得率为58.92％,阿魏酸保留率为50.26％,毛蕊异黄酮葡萄糖苷保留率为54.98％,藁本内酯保留率为27.74％.结论 优选的辅料及其配比能较好提高喷雾干燥产率,改善喷干粉性质,优选的工艺条件较好保留阿魏酸、藁本内酯等热不稳定性成分,可为后续DBD制剂研究打下基础,同时为其他中药复方提取液喷雾干燥研究提供参考.

This study aimed to explore the differences in raw Angelica Sinensis (RAS), wine washing AS (WAS), and wine stir-frying AS (WSAS). The results showed there were differences among the three AS in color and aroma, and 34 aroma compounds were identified. The content determination results revealed the ferulic acid and Z-ligustilide levels of RAS decreased after processing, and those in WAS were higher than in WSAS. Furthermore, 85 representative common components and 37 unique components were tentatively identified in three AS. Finally, the free radical scavenging assay results indicated the antioxidant capacity of RAS was reduced after processing, and the antioxidant capacity of WAS was better than WSAS. Collectively, the RAS undergoes significant changes in color, aromas, components, and antioxidant ability after processing, and the different processing methods also result in significant differences between WAS and WSAS.

目的：利用外翻肠囊模型建立的药物吸收仿生系统（DASS）考察当归补血汤多指标成分的肠吸收特征。方法：收集当归补血汤给药后不同时间点的肠吸收液，采用高效液相色谱法（HPLC）检测，以乙腈（A）-0.2%冰乙酸溶液（B）为流动相进行梯度洗脱（0～16 min,15%～23%A;16～20 min,23%～28%A;20～25 min,28%～30%A;25～30 min,30%A;30～35 min,30%～65%A;35～45 min,65%～95%A），检测波长302 nm，建立肠吸收液的HPLC指纹图谱并标定共有峰，计算各指标成分的相对累积吸收率，利用DDSolver 1.0软件对各成分相对累积吸收曲线进行模型拟合，探究不同成分的吸收规律。结果：当归补血汤中成分C2（毛蕊异黄酮葡萄糖苷）和C6的吸收过程较符合零级方程，C9成分以Weibull方程拟合最佳，其余7个成分则更符合Makoid-Banakar方程。成分C1与C2、C3、C5、C7、C10,C2与C5、C7,C3与C4、C5、C7、C10,C4与C6、C10,C5与C7,C6与C10,C7与C10,C8与C9在吸收过程中为同步吸收。随着时间的延长，当归补血汤的整体相对累积吸收率随之增加，120 min时，当归补血汤的整体相对累积吸收率＞38%，至180 min时已达49.14%。结论：当归补血汤中的10个指标成分在空肠中均有吸收，但各成分的吸收规律并不一致，表明中药复方制剂的肠吸收具有多元特征，以化学成分为指标的中药复方制剂肠吸收研究能揭示其部分吸收规律，但用于表征复方制剂整体吸收特征的指标还需进一步探究。

Although cancer has seriously threatened people's health, it is also identified by the World Health Organization as a controllable, treatable and even curable chronic disease. Traditional Chinese medicine (TCM) has been extensively used to treat cancer due to its multiple targets, minimum side effects and potent therapeutic effects, and thus plays an important role in all stages of tumor therapy. With the continuous progress in cancer treatment, the overall efficacy of cancer therapy has been significantly improved, and the survival time of patients has been dramatically prolonged. In recent years, a series of advanced technologies, including nanotechnology, gene editing technology, real-time cell-based assay (RTCA) technology, and flow cytometry analysis technology, have been developed and applied to study TCM for cancer therapy, which efficiently improve the medicinal value of TCM and accelerate the research progress of TCM in cancer therapy. Therefore, the applications of these advanced technologies in TCM for cancer therapy are summarized in this review. We hope this review will provide a good guidance for TCM in cancer therapy.

经典名方制剂开发是目前中药复方新药研发的热点,大部分经典名方是采用水煎煮工艺制备成汤剂后临床应用.其中有一部分处方含有挥发性成分的中药,经典名方原文记载大部分是同煎,而制成现代制剂时,工业化生产的煎煮浓缩干燥工艺是否会造成挥发性成分的变化而引起疗效的变化,非常值得关注.文章通过文献研究和分析,列举了含有挥发性成分中药的古代经典名方,并对含挥发性成分中药的提取工艺进展做一综述,提出了这类经典名方制剂在工业化生产中可采用的制备工艺策略,以期为含挥发性成分中药的经典名方研究开发提供参考.

目的 考察在自然干燥、热风干燥、减压真空干燥方式下的黄芪药材经炮制成饮片后,药效成分的提取动力学.方法 以传统水煎煮法对黄芪饮片进行提取,建立提取动力学模型,比较黄芪药材经自然干燥、热风干燥、减压真空干燥3种初加工方式对饮片中4个评价指标(浸出物、黄芪多糖、毛蕊异黄酮葡萄糖苷、黄芪甲苷)提取效率差异.结果 3种干燥方式导致黄芪药材切面品相不一,提取动力学均与一级动力学模型拟合效果最佳,其中减压干燥动力学拟合方程斜率最大,提取效率最高.结论 减压干燥方式4个评价指标的药材-饮片转移率高,干燥、提取速率快,可作为传统干燥方式的替代干燥方式.不同干燥方式不仅对药材品相有影响,同时对药材制成饮片及后续饮片制成制剂过程中评价指标的提取效率也有影响,说明干燥等药材初加工是药材-饮片-制剂品质传递过程中的重要环节,应引起足够的关注.

Based on UPLC characteristic chromatogram and quantitative analysis of multi-components by single marker(QAMS), the content of seven types of ginsenosides in Ginseng Radix et Rhizoma was simultaneously determined, and the quality of Ginseng Radix et Rhizoma was evaluated by the principal component analysis(PCA). The chromatographic separation was performed on the Acquity UPLC BEH C_(18) column(2.1 mm×100 mm, 1.7 μm) with the mobile phase of acetonitrile-water for gradient elution at the flow rate of 0.3 mL·min~(-1), the column temperature of 30 ℃, the detection wavelength of 203 nm, and the injection volume of 2 μL. The UPLC chromatogram was established with 19 batches of Ginseng Radix et Rhizoma samples from three producing areas by Similarity Evaluation System for Chromatographic Fingerprint of Traditional Chinese Medicine(version 2012). Thirteen characteristic peaks were determined and seven components were identified. SPSS 26.0 was used to conduct PCA on the characteristic peak areas. With the peak of ginsenoside Rb_1 as reference peak S, ginsenoside Rb_1 showed good durability of relative correction factor as compared with other ginsenosides. The QAMS method for the determination of seven ginsenosides in Ginseng Radix et Rhizoma was established. There was no significant difference in results between the QAMS method and the external standard method. As revealed by the results of PCA and the determination of the total content of seven ginsenosides, the four batches of Ginseng Radix et Rhizoma numbered S19, S18, S1, and S2 were of superior quality. The characteristic chromatogram and QAMS method for the determination of seven ginsenosides in this study were convenient and accurate, which greatly shortened the analysis time and improved the analysis efficiency. The findings of this study are expected to provide a basis for the overall quality evaluation of Ginseng Radix et Rhizoma.

中药品质是中医药临床疗效的基本保证.中药外用制剂从源头生产至制剂开发设计以及临床应用的各个环节,核心是将高品质的中药质量完整地传递到临床.然而,中药外用制剂是一个成分复杂多元的集合体,为保证中药产品的均一、稳定、安全、有效,须关注制剂生产全过程的每个环节——中药材良种选育、合理采收与加工、规范炮制、成型工艺优化、药物释放与吸收评价、临床安全与有效评价.基于此,笔者系统分析了影响中药外用制剂品质传递的关键环节,探讨提高外用制剂疗效和减小毒副反应的途径,以期用经典化学计量分析方法结合生物效应评价等方法建立一套符合中医自身特色的外用制剂工艺与质量标准体系,推动以临床价值为导向的中药外用制剂工艺与质量标准的提升.

目的 优化山楂叶提取物磷脂复合物的制备方法并研究其理化性质.方法 采用质量权重系数法表征山楂叶提取物黄酮组分的整体性质,在单因素考察的基础上,利用正交设计试验,以组分复合率和质量复合率为指标优化制备方法.利用扫描电镜、紫外光谱、红外光谱和X-衍射进行表征,同时考察其表观油水分配系数.结果 山楂叶提取物磷脂复合物的最佳制备方法为以无水乙醇为复合溶剂,山楂叶提取物的质量浓度为1 mg·mL-1,药脂比为1:4,在60℃下复合1.5 h.扫描电镜、X-衍射分析等验证了山楂叶提取物磷脂复合物的形成,且不同pH下表观油水分配系数较原料药均有所提高.结论 山楂叶提取物磷脂复合物制备方法合理可行,脂溶性得到改善.

目的 建立经典名方枳实薤白桂枝汤(Zhishi Xiebai Guizhi Decoction,ZXGD)基准样品的HPLC特征图谱并对其进行多成分含量测定,研究ZXGD物质基准量值传递规律,为复方制剂研究奠定基础.方法 制备20批ZXGD基准样品,建立其特征图谱,明确其特征峰并对其进行特征峰的归属;对ZXGD基准样品进行多成分含量测定,分析主要成分从饮片-物质基准的传递规律.结果 20批ZXGD基准样品的特征图谱相似度均大于0.93,共匹配得到11个特征峰,分别来自于方中枳实(峰1、3～5、9)、厚朴(峰2、10、11)、桂枝(峰6～8);各指标性成分的含量范围及饮片-基准样品的平均转移率分别为辛弗林0.46％～0.85％和103.80％,橙皮苷0.58％～1.07％和42.36％,肉桂酸0.025％～0.047％和105.53％,桂皮醛0.09％～0.17％和5.40％,厚朴酚与和厚朴酚0.005 6％～0.0103％和0.23％.结论 采用HPLC特征图谱和多成分含量测定对ZXGD物质基准的量值传递规律进行研究,该方法科学合理,且明确了饮片-物质基准的传递规律,实现了对经典名方ZXGD开发研究的全过程质量控制.

The present study explored the mechanism of Qingwei Powder(QP) in the treatment of periodontitis based on chromatography-mass spectrometry and network pharmacology-molecular docking techniques. UPLC-Q-TOF-MS and GC-MS were used to identify the chemical constituents of QP. The active components and targets were screened out through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP), and their targets were predicted using SwissTargetPrediction. Targets related to periodontitis were obtained from GeneCards, OMIM, and DisGeNET. Venn diagram was constructed using Venny 2.1 to obtain the intersection targets. Cytoscape 3.7.2 was used to construct the "chemical component-target-disease" network. The targets were analyzed for Gene Ontology(GO) function and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment by clusterProfiler R, and the "chemical component-target-pathway" network was constructed. The binding activity of the active components to the target proteins was verified by molecular docking. A total of 189 chemical components were obtained by UPLC-Q-TOF-MS and GC-MS, including 39 active components with 180 potential targets related to periodontitis. Target enrichment analysis of the active components yielded 92 KEGG pathways. Twenty KEGG pathways, 34 active components, and 99 targets were involved in the "chemical component-target-pathway" network. Molecular docking verified a good binding ability of the key targets to the key compounds. This study preliminarily indicates that QP is effective in treating periodontitis through multiple components, multiple targets, and multiple pathways, which reflects the complex system of Chinese medicine. This study provides the theoretical foundation for the subsequent research on the material basis and key quality attributes of QP.

To clarify the key quality attributes of substance benchmarks in Danggui Buxue Decoction(DBD), this study prepared 21 batches of DBD substance benchmarks, and established two methods for detecting their fingerprints, followed by the identification of peak attribution and similarity range as well as the determination of extract and transfer rate ranges and contents of index components ferulic acid, calycosin-7-O-β-D-glucoside, and astragaloside Ⅳ. The mass fractions and transfer rates of DBD substance benchmarks from different batches were calculated as follows: ferulic acid(index component in Angelicae Sinensis Radix): 0.037%-0.084% and 31.41%-98.88%; astragaloside Ⅳ(index component in Astragali Radix): 0.021%-0.059% and 32.18%-118.57%; calycosin-7-O-β-D-glucoside: 0.002%-0.023% and 11.51%-45.65%, with the extract rate being 18.4%-36.1%. The similarity of fingerprints among 21 batches of DBD substance benchmarks was all higher than 0.9. The quality control method for DBD substance benchmarks was preliminarily established based on the HPLC fingerprint analysis and index component determination, which has provided a basis for the subsequent development of DBD and the quality control of novel related preparations.

目的 基于传统水煎煮工艺,研究处方中当归药材-饮片-当归补血汤水煎液中藁本内酯的量值传递关系.方法 以藁本内酯成分含量及转移率为指标,研究处方中当归药材-饮片-全方水煎液的量值传递关系.结果 当归药材、饮片及全方水煎液中藁本内酯质量分数范围分别为0.958 5％～1.572 7％、0.608 9％～0.815 6％、0.035 6％～0.055 9％;当归中挥发性成分藁本内酯从药材到饮片的转移率51.84％～66.07％,平均转移率为60.82％;饮片到全方水煎液的藁本内酯转移率4.94％～8.78％,平均转移率为6.46％.结论 传统水煎煮工艺提取的中药复方中仍保留挥发性成分,且质量均一稳定,可为含挥发性成分中药在复方制剂的工艺设计与质量控制方面提供参考.