Li Yong

Herbal medicine has been widely valued because of its remarkable efficacy and minimal side effects. The quantitative analysis of herbal medicines is essential to ensure their safety and efficacy. The simultaneous detection of multiple quality markers (Q-markers) has emerged as an important approach and trend in herbal medicine quality control. In recent years, non-targeted screening has become an effective strategy for the discovery and identification of unknown compounds. This study developed a non-targeted screening and quantitative analysis strategy to discover, identify and quantify the multiple components that truly represent the efficacy of Wuling capsule. Within this strategy, 18 types of flavonoids were tentatively discovered and identified from Wuling capsule by analyzing mass cleavage pathways, the precise molecular weights of compounds, and comparing the data with a database. Ten types of flavonoids were determined after the comparison of the standards. Additionally, following the evaluation of the regression equation, linear range, limit of detection (LOD), limit of quantitation (LOQ), precision, repeatability, and recovery of the proposed quantitative method, six flavonoids were quantified. This method successfully screened, identified, and quantified the potential active components in Wuling capsule, providing insights for improving the quality control standards in other herbal medicines.

Objective: To investigate the association between the concentration of perchlorate in drinking water and the height and weight of children and adolescents in Sichuan Province.Methods: Perchlorate in the drinking water of 24 counties in Sichuan Province from 2021 to 2022 was detected and analyzed, 66 drinking water samples were collected, and the content of perchlorate in drinking water during the wet season and dry season was detected by ultra-high performance liquid chromatography in series. The linear mixed effect model was used to estimate the relationship between perchlorate in drinking water and the height and weight of 144,644 children and adolescents, and 33 pieces of local average wage data were used as confounding factors for quality control.Results: After controlling the age, gender, and local economic situation, we found that the concentration of perchlorate in drinking water increased by 10 μg/L is associated with a 1.0 cm decrease in height and a 1.6 kg decrease in weight in children and adolescents (p < 0.05).Conclusion: The concentration of perchlorate in drinking water may be negatively correlated with the height and weight of children.

Background: Fragrance allergens (FAs) refer to these volatile or semi-volatile fragrance compounds that can induce sensitization, and they are widely used in household goods. Objective: In this work, a method combining solid-liquid extraction (SLE) and dispersive liquid-liquid microextraction (DLLME) with gas chromatography-mass spectrometry (GC-MS) has been developed and applied in the analysis of 19 FAs (including hydrocarbons, alcohols, aldehydes, esters, and phenols) in paper household goods. Method: The samples (infant or personal paper hygiene products) were cut into small pieces and underwent SLE with methanol as solvent. The supernatant was taken, and ultrapure water, sodium chloride, and trichloromethane (extractant) were added, which was mixed with vortex. After centrifugation, the bottom chloroform layer was taken for GC-MS detection. Results: Under optimized conditions, a good linearity was achieved (r ≥ 0.9985) in the range of 0.01–128.0 mg/kg with relative standard deviations lower than 15%. The method showed limits of detection (LODs) within the range of 0.96–12.0 µg/kg and recoveries from 70.6% to 128.9%, except furfuryl alcohol with low recoveries (53.8–64.6%). Twenty kinds of paper household goods samples were analyzed by this method; nine FAs were detected. The linalool detected in one sample was more than 10 mg/kg, and the contents of other analytes in this sample and all analytes in other samples were less than 10 mg/kg. Conclusions: The performance evaluation of the method met the requirements of the analysis of trace components. The established method was successfully applied to the detection of FAs in paper household goods samples. The proposed method could provide a basis for the establishment of relevant detection standards in the future. Highlights: The LODs were found between 0.96 and 12.0 µg/kg. A simple, economical, and sensitive method was established for the determination of 19 FAs in paper household goods.

Nucleosides can be used as quality evaluation indicators of Tricholoma matsutake. In this work, a new ultra-performance liquid chromatography-tandem mass spectrometry (UPLC/MS) strategy for quantitative analysis of multiple components using a single marker (QAMS) was proposed to determine nine nucleosides (adenosine, cytidine, guanosine, inosine, uridine, 2-deoxyadenosine, 2-deoxycytidine, 2-deoxyguanosine, and 2-deoxyuridine) in T. matsutake. Guanosine was set as the internal reference substance, whose content in T. matsutake was determined using the conventional external standard method. Relative correction factors (RCFs) between guanosine and eight other nucleosides were measured. The concentrations of the eight components were calculated with the obtained RCFs by QAMS. An ultrasonic extraction method is used for sample preparation. This method was validated to be sensitive, precise, and accurate with the LODs of 0.311.9ng, the overall intraday and interday variations less than 4.08, and the overall recovery over 89.0. The correlation coefficients (r²) of the calibration curves were higher than 0.9918. The values of vector angle analysis were above 0.99845, which indicates no significant differences between the conventional external standard method and the present QAMS method. As far as we know, this is also the first report of UPLC/MS analysis of nucleoside compounds by QAMS, providing an efficient and feasible quality assessment method for other natural products containing nucleosides.

Named entity recognition in Chinese electronic medical record is the core technology of key information mining in electronic medical record. The purpose of entity recognition is to identify the different categories of valuable entities in electronic medical records. However, there are some serious problems in Chinese electronic medical records, such as complicated disease names, clinical symptoms and drug names, different doctors’ use of professional terms, irregular writing, excessive professional terms, and unclear boundaries between different entities. At the same time, because it involves the privacy of patients, and unauthorized disclosure of such medical text information is not in line with national regulations. Therefore, at present, there is almost no public Chinese electronic medical record corpus, and all these problems increase the difficulty of entity identification in Chinese electronic medical record. In order to better identify entities in medical texts, this paper formulates a set of labeling rules for medical texts, and gives full play to the advantages of machine learning on top of the data set of this set of autonomous labeling rules. Conditional Random Field model CRF (Conditional Random Field) is used to obtain good experimental results. In the entity recognition experiment of a large number of medical records, the accuracy rate, recall rate and F value are improved to 87.92%, 82.33 and 85.03%, which are better than the evaluation indexes of existing studies and can meet the needs of practical application.

So far, there is no report on the quality evaluation of lemonade available in the market. In this study, a sample preparation method was developed for the determination of flavonoid glycosides by ultra-performance liquid chromatography–mass spectrometry (UPLC-MS) based on vortex-assisted dispersive liquid-liquid microextraction. First, potential flavonoids in lemonade were scanned and identified by ultra-performance liquid chromatography–time of flight mass spectrometry (UPLC-TOF/MS). Five flavonoid glycosides were identified as eriocitrin, narirutin, hesperidin, rutin, and diosmin according to the molecular formula provided by TOF/MS and subsequent confirmation of the authentic standard. Then, an ultra-performance liquid chromatography–triple quadrupole mass spectrometry (UPLC-QqQ/MS) method was developed to determine these five flavonoid glycosides in lemonade. The results showed that the content of rutin in some lemonade was unreasonably high. We suspected that many illegal manufacturers achieved the goal of low-cost counterfeiting lemonade by adding rutin. This suggested that it was necessary for relevant departments of the state to make stricter regulations on the quality standards of lemonade beverages.

So far, there has been no quality evaluation of Tricholoma matsutake. Nucleic acid compounds are a kind of functional ingredient in T. matsutake that is beneficial to human health. In this study, a UPLC-TOF/MS method was first used to scan and identify the potential nucleic acid compounds in T. matsutake. Based on the calculation of the molecular formula and subsequent confirmation by authentic standards, 15 nucleic acid compounds were unambiguously identified: adenosine, cytidine, guanosine, inosine, thymidine, uridine, xanthosine dehydrate, 2′-deoxyadenosine, 2′-deoxycytidine, 2′-deoxyguanosine, 2′-deoxyuridine, adenosine 5′-monophosphate, cytidine 5′-monophosphate, guanosine 5′-monophosphate, and uridine 5′-monophosphate. Then, a UPLC-QqQ/MS method was developed for the subsequent quantitative analysis. After validating the limits of quantification, detection, precision, repeatability, and recovery through a calibration curve, the content of 15 nucleic acid compounds was determined by the proposed UPLC-QqQ/MS method in 80 T. matsutake samples collected from different regions in Sichuan province, Southwest China. After the statistical analysis, we suggest that the total content of nucleic acid compounds in the qualified T. matsutake should be higher than 24.49 mg/100 g. The results indicated that the combined use of UPLC-TOF/MS and UPLC-QqQ/MS is efficient for fast identification and determination of nucleic acid compounds to comprehensively evaluate the quality of T. matsutake.

In the present study, 11 non-anthocyanin polyphenols, gallic acid, protocatechuate, vanillic acid, syringic acid, ferulic acid, quercetin, catechin, epicatechin, epigallocatechin gallate, gallocatechin gallate and epicatechin gallate—were firstly screened and identified from blueberries using an ultra performance liquid chromatography–time of flight mass spectrography (UPLC-TOF/MS) method. Then, a sample preparation method was developed based on vortex-assisted dispersive liquid-liquid microextraction. The microextraction conditions, including the amount of ethyl acetate, the amount of acetonitrile and the solution pH, were optimized through the multi-objective response surface methodology and desirability function approach. Finally, an ultra performance liquid chromatography–triple quadrupole mass spectrography (UPLC-QqQ/MS) method was developed to determine the 11 non-anthocyanin polyphenols in 25 commercial blueberry samples from Sichuan province and Chongqing city. The results show that this new method with high accuracy, good precision and simple operation characteristics, can be used to determine non-anthocyanin polyphenols in blueberries and is expected to be used in the analysis of other fruits and vegetables.