ENERGY
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2026
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IF 10.1
Yao Tong,Tianhua Yang,Jian Wang,Yingmei Zhai,Shuang Cui,Bingshuo Li,Xingping Kai,Rundong Li
Decoding the decisive role of CO 2 -mediated pyrolysis mechanism is essential for achieving directional biomass conversion and precise product regulation. This study strategically employs CO 2 as a dynamic reaction medium to drive fast pyrolysis of lignin, simultaneously producing phenol-enriched bio-oil and functionalized biochar. CO 2 's multifunctional mechanism during lignin pyrolysis was investigated through multimodal characterization combined with response surface methodology (RSM), principal component analysis (PCA) and t-distributed Stochastic Neighbor Embedding (t-SNE). Results demonstrate that CO 2 participates in radical reactions, catalyses the key demethoxylation step, and triggers the Boudouard reaction, simultaneously achieving enrichment of phenolic compounds in bio-oil (reaching 62.07% phenolic content under optimal conditions) and significant development of biochar pore structure (with specific surface area increasing up to 3.6-fold). Under conditions of 537 °C, 97 s, and 40% CO 2 , bio-oil yield reached 12.8 wt%, oxygen content decreased by 38%, and the yield of the high-value-added product 4-vinylphenol exceeded 18%. This study quantitatively revealed for the first time through PCA the non-linear regulatory effect of CO 2 concentration on pyrolysis reaction pathways, constructing a reaction network involving CO 2 . This provides theoretical basis and process references for directed pyrolysis of lignin and high-value utilisation of CO 2 . Furthermore, self-derived biochar was engineered into a bifunctional catalyst, further expanding the valorization strategy.
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高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
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2026
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IF 4.1
Liang Yi-Zhong,Bao Lina,Xu Li,Yu Xu
Accurate and convenient detection of epinephrine (Ep) is critical for diagnosing neurological disorders and monitoring emergency medications. In this study, a ratiometric fluorescent platform was developed for Ep detection by integrating cysteine-functionalized carbon dots with gold ions (Cys-CDs/Au 3+ ). The platform relied on Au 3+ -mediated oxidation of epinephrine to generate a fluorescence response, which is further enhanced by boric acid. Two detection modes were established: fluorescence assay and smartphone-assisted RGB analysis, demonstrating limits of detection (LOD) of 0.12 μM and 0.85 μM, respectively. The platform enabled accurate quantification of Ep in injections and artificial cerebrospinal fluid (aCSF). Furthermore, principal component analysis (PCA) facilitated discrimination among multiple catecholamines by reducing the dimensionality of fluorescence spectral data. This work provides a versatile platform for Ep detection and catecholamine discrimination.
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DOI
PubMed
高影响因子
ANALYTICA CHIMICA ACTA
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2025
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IF 6
Ruiying Lin,Zhangying Jiang,Jinyong Lin,Feifei Tong,Yangmin Wu,Jinquan Hong,Sufang Qiu,Qiong Wu
Background In recent years, significant progress has been made in the treatment of nasopharyngeal carcinoma (NPC). The application of immunotherapy, especially the use of Programmed Cell Death Protein 1 inhibitors, has demonstrated excellent therapeutic effects. However, inconsistent immunotherapy outcomes due to individual differences in patients remain a major challenge, making the search for specific biomarkers to screen for the population who may benefit from immunotherapy a priority. Surface-enhanced Raman spectroscopy (SERS) has shown great potential as a highly sensitive and specific optical analytical tool for identifying and monitoring tumor-related markers in NPC. Results In this study, plasma samples from Nasopharyngeal cancer patients before and after immunotherapy, along with those from healthy volunteers, were tested using label-free SERS combined with plasmapheresis. Especially, the components with varying molecular weight sizes were analyzed via the separation process, thereby preventing the potential loss of diagnostic information that could result from competitive adsorption. Subsequently, a robust machine learning algorithm based on principal component analysis and linear discriminant analysis (PCA-LDA) was used to extract features from plasma SERS data and establish an effective discriminant model. The results showed that in the upper plasma layer, the most optimal discrimination was found between normal patients and those post-treatment, with sensitivity and specificity of 88.5% and 92.3%, respectively. In the lower plasma layer, the most optimal discrimination was found between the pre-treatment and post-treatment patients, with sensitivity and specificity of 84.6% and 80.8%, respectively. Significance and novelty Plasmapheresis can reveal latent diagnostic information in the plasma and holds promise for treating NPC, the screening of the population who may benefit from immunotherapy, and the postoperative evaluation of immunotherapy. Further exploration of the feasibility of using SERS to detect tumor markers in the population who may benefit from immunotherapy for NPC will help improve the therapeutic efficacy, optimize clinical practice, and promote the development of individualized treatment strategies.
研究领域:
肿瘤学
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医学诊断
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生物信息学
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DOI
PubMed
高影响因子
JOURNAL OF RAMAN SPECTROSCOPY
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2022
·Vol. 53
·期 8
·1371-1379
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IF 2.727
Xueliang Lin,Xianggang Jia,Jin Yong Lin,Ping Hui Wu,Youliang Weng,Shangyuan Feng
Human blood contains a variety of biomolecules that are highly related to the occurrence, progression, and prognosis of diseases, including cancer. The development of rapid and accurate methods for the detection of these biomarkers with extremely low concentration is vital for improving cancer screening. Herein, a label-free surface-enhanced Raman scattering (SERS) technology was employed to detect human serum samples from healthy volunteers ( n = 51) and breast cancer patients ( n = 58) with the aim of exploring the differences in bio-components between them. Moreover, the influence of measurement location during SERS assay was evaluated due to the occurrence of “coffee-ring (CR)” effect associated with this work. Results showed that the SERS spectra obtained from the CR area can better reflect the overall biochemical information of serum samples and exhibited excellent diagnostic sensitivity (94.8%) and specificity (98%) for identifying breast cancer from healthy groups using principal component analysis and linear discriminant analysis (PCA-LDA) algorithm. This work showed a preliminary study of the serum SERS method for breast cancer detection, providing a potential rapid and accurate liquid biopsy strategy for clinical cancer screening.
研究领域:
医学诊断
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光谱学
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癌症研究
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DOI
高影响因子
PHYTOCHEMICAL ANALYSIS
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2025
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IF 2.6
Jing Xu,Yulong Zhu,Yi Wei,Peirong Gan,Shilin Xia,Ya Li,Xiaoman Jiang,Yan Wang,Hong Wu
Introduction Rheumatoid arthritis (RA) is a chronic autoimmune disease that primarily manifests with symptoms such as heat and toxin. However, the key components and molecular mechanisms of Zhizi Baipi decoction (ZBD) in the treatment of RA are still unclear. Objectives The study aimed to explore the mechanism of action of ZBD for treating RA through ingredient analysis, network pharmacology, and experimental validation. Material and Methods The chemical constituents of ZBD were identified by ultra-high performance liquid chromatography coupled with Q-TOF-mass spectrometry (UPLC-Q-TOF-MS E ). Additionally, the active ingredients of ZBD treating RA were screened by network pharmacology and using molecular docking to verify the binding energy of the active ingredients and ZBD's targets. Then we elucidated ZBD's mechanism of action on collagen-induced arthritis (CIA) model rats. Subsequently, experimental validations were used to validate the findings of network pharmacology. Results A total of 84 chemical constituents was identified by UPLC-Q-TOF-MS E . The results of network pharmacology indicated that ZBD could exert its therapeutic effect on RA through the vascular endothelial growth factor (VEGF) pathway. Molecular docking revealed a strong binding capacity between the target KDR and the active ingredients. Additionally, we quantified the five active ingredients of ZBD. In vivo experiments demonstrated that ZBD inhibited synovial angiogenesis and alleviated the occurrence and progression of RA. Conclusion Overall, ZBD has a significant therapeutic effect on RA. The results of qualitative analysis, network pharmacology, molecular docking, and in vivo experiments indicated that the main active components of ZBD could modulate the VEGF pathway to treat RA.
研究领域:
药理学
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免疫学
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分子生物学
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中医
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
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2024
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IF 3
Yanni Tai,Mintong Zhao,Feng Ding,Gelin Wu,Haibin Qu,Ping Gong,Yongjian Xie,Peng Zhou,Xingchu Gong
Introduction Despite numerous successful cases, there are still some challenges in using analytical quality by design (AQbD) for the development of analytical methods. Knowledge organization helps to enhance the objectivity of risk assessment, reduce the number of preliminary exploratory experiments, identify potential critical method parameters (CMPs) and their scope. Objective In the present study, we aimed to develop a simple, rapid, and robust analytical method for detecting phenolic compounds in Xiaochaihu capsule intermediates utilizing knowledge organization. Methods Knowledge organization and AQbD were combined to obtain the initial analytical conditions through knowledge collection, extraction, reorganization, and analysis. The quantitative relationship between critical method attributes (CMAs) and CMPs was then established by a definitive screening design. The method operable design region was calculated using an exhaustive Monte Carlo approach based on the probability of reaching the standard. Robustness investigation and methodological validation were finally performed. Results Analytical target profiles, CMAs, potential CMPs, and initial analytical conditions were initially identified, and the optimized ranges of operating parameters were obtained. A UHPLC method was successfully established for the analysis of phenolic compounds in ginger–ginger pinellia percolate, and the method validation outcomes were also satisfactory. Conclusion The developed method can be a reliable means to detect the phenolic compounds of Xiaochaihu capsule intermediates. Knowledge organization provides a new approach for making better use of prior knowledge, significantly enhancing the efficiency of analytical method development. The approach is versatile and can be similarly applied to the development of other methods.
研究领域:
分析化学
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药学
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化学计量学
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质量保证
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2024
·Vol. 35
·期 6
·1428-1442
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IF 3
Sijie Zhang,Xingchu Gong,Haibin Qu
Introduction Previously reported preparation methods of Ginkgo biloba leaf extract (EGBL) have mainly focused on the enrichment of flavonoid glycosides (FG) and terpene trilactones (TT), which led to the underutilization of G. biloba leaves (GBL). Objectives To make full use of GBL, in this study, a comprehensive optimization strategy for preparing EGBL by macroporous resin column chromatography was proposed and applied to enrich FG, TT, and shikimic acid (SA) from GBL. Methodology Initially, the static adsorption and desorption were executed to select suitable resin. Then, the influences of solution pH were investigated by the static and dynamic adsorption. Subsequently, eight process parameters were systematically investigated via a definitive screening design (DSD). After verification experiments, scale-up enrichment was carried out, investigating the feasibility of the developed strategy for application on an industrial scale. Results It was found that XDA1 was the most appropriate adsorbent for the preparation of EGBL at solution pH 2.0. Furthermore, based on the constraints of the desired quality attributes, the optimized ranges of operating parameters were successfully acquired, and the verification experiments demonstrated the accuracy and reliability of using DSD to investigate the chromatography process for the preparation of EGBL. Finally, magnified experiments were successfully performed, obtaining the EGBL containing 26.54% FG, 8.96% TT, and 10.70% SA, which reached the SA level of EGB761, an international standard EGBL. Conclusion The present study not only provided an efficient and convenient approach for the preparation of EGBL enriched in SA but also accelerated efforts to high-value utilization of GBL.
研究领域:
植物化学
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中药学
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分离纯化技术
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
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2024
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IF 3
Haiwen Zhang,Shanshan Chu,Lu Jiang,Qingyun Chan,Zhenyu Zhang,Ming'en Cheng
Introduction Corydalis DC., the largest genus of Papaveraceae, comprises numerous species known for their abundant alkaloid content and historical use in clinical medicine. Recently, a new species of genus Corydalis named Corydalis huangshanensis Lu Q. Huang & H. S. Peng was discovered in the Huangshan Mountains of Anhui Province, China. Objective To compare the chemical characteristics of C. huangshanensis and other 13 Corydalis species, aiming to elucidate the potential medicinal value of this new species. Materials and Methods The chemical constituents of C. huangshanensis and other 13 medicinal plants of genus Corydalis were analyzed using ultra-high-performance liquid chromatography Q-Exactive Plus hybrid quadrupole-Orbitrap mass spectrometer (Q-Orbitrap) mass technology. The differences in the alkaloids in the 14 species were distinguished by chemometrics. Results The mass spectrometry fragmentation information and relative content of 72 alkaloids were obtained. Orthogonal partial least squares discriminant analysis (OPLS-DA) and cluster heat mapping analysis showed that these 14 species were divided into two groups. The clustering relationship between C. huangshanensis and C. decumbens (Thunb.) Pers. was similar, exhibiting similar chemical compositions and characteristics. These results indicate the potential pharmacological effects of C. huangshanensis . Conclusion This study enhances our understanding of the chemical classification of Corydalis and provides a basis for speculations on the medicinal value of C. huangshanensis .
研究领域:
生药学
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分析化学
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药用植物研究
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2021
·Vol. 32
·期 6
·1003-1010
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IF 3.373
Xu Jia,Hanghang Zhang,Xiangfu Jiang,Yaling Lu,Wenjie Liu,Jianna Yu
Introduction Ambient pressure electrospray ionisation ion mobility spectrometry coupled to high-performance liquid chromatography (HPLC) was used to detect alkaloids from different parts of Sophora alopecuroides L. extracts. Multiplexing ion mobility spectrometry (IMS) was used to improve the signal-to-noise ratio while maintaining high resolving power for the detecting of eluents from HPLC separation. Material and methods The alkaloids profile and distribution are demonstrated by retention time-drift time two-dimensional spaces, and the contents of five major alkaloids including sophoridine, sophocarpine, cytisine, aloperine, and matrine were determined in the leaf, skin, stem, seed kernel, and seed husk using the HPLC-IMS method. This method offers extra separation ability to isomers such as matrine and sophocarpine, which can be difficult to distinguish by mass spectrometry. Results The reduced mobilities for cytisine, sophoridine, sophocarpine, matrine, and aloperine are 0.828, 0.718, 0.731, 0.725, and 0.769 cm 2 /V/s, respectively. The limits of detection are 0.553, 0.488, 0.479, 0.484, and 0.513 ug/mL. This method adds extra separation ability to HPLC to resolve co-eluted peaks and provides another qualitative parameter besides HPLC retention time.
研究领域:
植物化学
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分析化学
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DOI
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2022
·Vol. 33
·期 4
·590-598
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IF 3.024
Xuemei Xue,Fei Deng,Zhenkai Ge,Jingwen Meng,Xiya Liu,Yongheng Zhao,Yanggen Hu,Xu Ling
Introduction The quantitative analysis of trace resveratrol and polydatin in plant tissues is suitable for elucidation of the compounds' mechanisms of action. Objectives The main objective of this work was to develop a feasible and effective sample pretreatment method to measure the concentrations of resveratrol and polydatin in complex samples. Methodology A polymer sorbent, poly(2-mercaptobenzimidazole), was electrochemically prepared and utilized for selective extraction, while resveratrol and polydatin were used as target analytes. The sorbent was characterized by cyclic voltammetry, scanning electron microscopy and Fourier transform infrared spectroscopy. After extraction and elution, the analytes were analyzed by a Thermo U3000 HPLC system. Several affecting parameters, including the volume of elution solution, sample pH value, sample flow rate and sample volume, were evaluated and optimized. Results The proposed method showed good linearity with low limits of detection (from 0.5 to 0.8 ng·mL −1 ) and ideal accuracy with spiked recoveries from 81.30% to 99.16%. A good enrichment factor (more than 200-fold) together with good sensitivity was obtained with this method. Analysis of resveratrol and polydatin in Polygonum cuspidatum samples by this method is efficient. Conclusion The method developed in this work exhibits several significant merits, including easy operation and high extraction efficiency, indicating that electrochemically prepared polymer sorbent is useful for sample pretreatment and analysis of traditional Chinese medicine samples.
研究领域:
分析化学
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中药学
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DOI
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2021
·Vol. 32
·期 6
·1152-1161
·
IF 3.373
Xiaofang He,Sisi Huang,Mengmei Wu,Menghua Wu,Ying Zhang,Zhiguo Ma,Li Liu,Hui Cao
Introduction Citri Reticulatae Pericarpium Viride (Qing Pi in Chinese) is a clinically effective Chinese herb, which contains biologically valuable flavonoids. Qing Pi is divided into two commodity specifications, Si Hua Qing Pi (SHQP) and Ge Qing Pi (GQP), based on the harvesting time. The flavonoid contents in Qing Pi from different origins and commodity specifications may vary significantly, which will affect their therapeutic functions. Thus, it is crucial to set up a reliable and comprehensive quality evaluation method for flavonoid analysis in Qing Pi. Objectives We aimed to establish a rapid and sensitive ultrahigh-performance liquid chromatography method coupled with diode-array detection and high-resolution mass spectrometry (UPLC-DAD-HRMS) for identification and quantification of ten flavonoids in Qing Pi. Chemometric methods were further applied to distinguish Qing Pi of different origins and specifications. Methodology An UPLC-DAD-HRMS method was developed for the simultaneous separation and quantification of ten flavonoids in 46 batches of Qing Pi samples from different sources in China. Chemometric approaches were applied to discriminate Qing Pi from different origins and commodity specifications. Results The chemometric procedures (i.e., hierarchical clustering analysis and principal component analysis) were employed to identify the differences of Qing Pi samples with different origins and commodity specifications. The results showed that the contents of ten flavonoids in Qing Pi samples of different origins were significantly different, and the same results were found out between SHQP and GQP. Conclusions This study provides a chemical basis for quality control of Qing Pi.
研究领域:
中药学
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分析化学
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植物化学
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DOI
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2021
·Vol. 32
·期 6
·899-906
·
IF 3.373
Songbao Zhang,Chao Li,Wei Gu,Rongli Qiu,Jianguo Chao,Lingfeng Pei,Lijie Ma,Yangfang Guo,Rong Tian
Introduction Dandelion ( Taraxacum mongolicum Hand.-Mazz.) is a perennial herb with diverse pharmacological effects. The development and utilization of dandelion have attracted much attention. Objectives Our aims were to provide a reference basis for the identification of the origin of dandelions and to study the influence of their origin on their quality. Methods High-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry was used to analyze metabolites from dandelions from four different geographical regions in China, namely Gansu, Henan, Shanxi, and Jiangsu. Metabolite analysis was performed using orthogonal partial least-squares discriminant analysis, and to identify potential metabolic pathways, MBRole was used to perform Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis. Results Principal component analysis revealed that the chemical components of dandelions sampled from the four regions showed noticeable differences. Twenty-six, six, six, eight, eight, and fifteen differentially produced metabolites were identified upon comparison between Gansu and Jiangsu, Gansu and Shanxi, Gansu and Henan, Henan and Shanxi, Henan and Jiangsu, and Shanxi and Jiangsu, respectively. These differentially produced metabolites were mainly phenolic compounds. Further, KEGG pathway enrichment analysis showed that the main metabolic pathways involved were biosynthesis of phenylpropanoids and flavonoids. Conclusion The methods reported herein can be used to identify the origin of dandelions; moreover, our results can serve as a reference basis for future studies.
研究领域:
植物学
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药理学
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分析化学
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DOI
高影响因子
危险品化学品经营许可证（带存储）