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Fingerprint-enhanced hierarchical molecular graph neural networks for property prediction 被引量:1
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作者 Shuo Liu Mengyun Chen +1 位作者 Xiaojun Yao Huanxiang Liu 《Journal of Pharmaceutical Analysis》 2025年第6期1311-1320,共10页
Accurate prediction of molecular properties is crucial for selecting compounds with ideal properties and reducing the costs and risks of trials.Traditional methods based on manually crafted features and graph-based me... Accurate prediction of molecular properties is crucial for selecting compounds with ideal properties and reducing the costs and risks of trials.Traditional methods based on manually crafted features and graph-based methods have shown promising results in molecular property prediction.However,traditional methods rely on expert knowledge and often fail to capture the complex structures and interactions within molecules.Similarly,graph-based methods typically overlook the chemical structure and function hidden in molecular motifs and struggle to effectively integrate global and local molecular information.To address these limitations,we propose a novel fingerprint-enhanced hierarchical graph neural network(FH-GNN)for molecular property prediction that simultaneously learns information from hierarchical molecular graphs and fingerprints.The FH-GNN captures diverse hierarchical chemical information by applying directed message-passing neural networks(D-MPNN)on a hierarchical molecular graph that integrates atomic-level,motif-level,and graph-level information along with their relationships.Addi-tionally,we used an adaptive attention mechanism to balance the importance of hierarchical graphs and fingerprint features,creating a comprehensive molecular embedding that integrated hierarchical mo-lecular structures with domain knowledge.Experiments on eight benchmark datasets from MoleculeNet showed that FH-GNN outperformed the baseline models in both classification and regression tasks for molecular property prediction,validating its capability to comprehensively capture molecular informa-tion.By integrating molecular structure and chemical knowledge,FH-GNN provides a powerful tool for the accurate prediction of molecular properties and aids in the discovery of potential drug candidates. 展开更多
关键词 Deep learning Hierarchical molecular graph Molecular fingerprint Molecular property prediction Directed message-passing neural network
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基于RFFAD_DeepSVDD的低功耗蓝牙欺骗攻击检测技术 被引量:1
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作者 闫廷聚 曹琰 王依菁 《计算机科学》 北大核心 2025年第2期380-387,共8页
针对现有低功耗蓝牙(BLE)欺骗攻击检测技术准确率低的问题,提出了一种基于异常指纹的BLE欺骗攻击检测技术,将攻击者的射频指纹作为异常数据,把欺骗攻击检测建模为异常检测问题;设计了一种基于深度支持向量描述(Deep Support Vector Data... 针对现有低功耗蓝牙(BLE)欺骗攻击检测技术准确率低的问题,提出了一种基于异常指纹的BLE欺骗攻击检测技术,将攻击者的射频指纹作为异常数据,把欺骗攻击检测建模为异常检测问题;设计了一种基于深度支持向量描述(Deep Support Vector Data Description,DeepSVDD)的异常指纹检测模型——RFFAD_DeepSVDD,并使用残差单元构建网络模型,有效缓解了机器学习异常检测算法非线性特征提取不足的问题。采用预训练自编码器获取最优初始化参数,极大增强了模型边界决策能力。在异常检测实验中,该模型准确率达到95.47%,相比基于机器学习的异常检测模型平均提升8.92%;在欺骗攻击检测实验中,该方法相比现有欺骗攻击检测技术在攻击节点运动与静止状态下均表现出更好的性能,能够准确检测并识别出中间人攻击、冒充攻击、重连接欺骗攻击3种欺骗攻击。 展开更多
关键词 BLE 欺骗攻击 射频指纹 异常检测 DeepSVDD
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Passive Integrated Sensing and Communication Scheme Based on RF Fingerprint Information Extraction for Cell-Free RAN
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作者 Yu Jingxuan Zeng Fan +4 位作者 Li Jiamin Liu Feiyang Zhu Pengcheng Wang Dongming You Xiaohu 《China Communications》 2025年第1期171-181,共11页
This paper investigates how to achieve integrated sensing and communication(ISAC)based on a cell-free radio access network(CF-RAN)architecture with a minimum footprint of communication resources.We propose a new passi... This paper investigates how to achieve integrated sensing and communication(ISAC)based on a cell-free radio access network(CF-RAN)architecture with a minimum footprint of communication resources.We propose a new passive sensing scheme.The scheme is based on the radio frequency(RF)fingerprint learning of the RF radio unit(RRU)to build an RF fingerprint library of RRUs.The source RRU is identified by comparing the RF fingerprints carried by the signal at the receiver side.The receiver extracts the channel parameters from the signal and estimates the channel environment,thus locating the reflectors in the environment.The proposed scheme can effectively solve the problem of interference between signals in the same time-frequency domain but in different spatial domains when multiple RRUs jointly serve users in CF-RAN architecture.Simulation results show that the proposed passive ISAC scheme can effectively detect reflector location information in the environment without degrading the communication performance. 展开更多
关键词 CF-RAN ISAC passive sensing RF fingerprinting
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APWF: A Parallel Website Fingerprinting Attack with Attention Mechanism
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作者 Dawei Xu Min Wang +3 位作者 Yue Lv Moxuan Fu Yi Wu Jian Zhao 《Computers, Materials & Continua》 2025年第2期2027-2041,共15页
Website fingerprinting (WF) attacks can reveal information about the websites users browse by de-anonymizing encrypted traffic. Traditional website fingerprinting attack models, focusing solely on a single spatial fea... Website fingerprinting (WF) attacks can reveal information about the websites users browse by de-anonymizing encrypted traffic. Traditional website fingerprinting attack models, focusing solely on a single spatial feature, are inefficient regarding training time. When confronted with the concept drift problem, they suffer from a sharp drop in attack accuracy within a short period due to their reliance on extensive, outdated training data. To address the above problems, this paper proposes a parallel website fingerprinting attack (APWF) that incorporates an attention mechanism, which consists of an attack model and a fine-tuning method. Among them, the APWF model innovatively adopts a parallel structure, fusing temporal features related to both the front and back of the fingerprint sequence, along with spatial features captured through channel attention enhancement, to enhance the accuracy of the attack. Meanwhile, the APWF method introduces isomorphic migration learning and adjusts the model by freezing the optimal model weights and fine-tuning the parameters so that only a small number of the target, samples are needed to adapt to web page changes. A series of experiments show that the attack model can achieve 83% accuracy with the help of only 10 samples per category, which is a 30% improvement over the traditional attack model. Compared to comparative modeling, APWF improves accuracy while reducing time costs. After further fine-tuning the freezing model, the method in this paper can maintain the accuracy at 92.4% in the scenario of 56 days between the training data and the target data, which is only 4% less loss compared to the instant attack, significantly improving the robustness and accuracy of the model in coping with conceptual drift. 展开更多
关键词 Website fingerprinting attack transfer learning concept drift
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Phytochemical fingerprinting of phytotoxins as a cutting-edge approach for unveiling nature's secrets in forensic science
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作者 Nabil Zakaria Ashraf S.A.El-Sayed Mostafa G.Ali 《Natural Products and Bioprospecting》 2025年第1期71-95,共25页
The integration of phytochemistry into forensic science has emerged as a groundbreaking frontier,providing unprecedented insights into nature's secrets through the precise application of phytochemical fingerprinti... The integration of phytochemistry into forensic science has emerged as a groundbreaking frontier,providing unprecedented insights into nature's secrets through the precise application of phytochemical fingerprinting of phytotoxins as a cutting-edge approach.This study explores the dynamic intersection of phytochemistry and forensic science,highlighting how the unique phytochemical profiles of toxic plants and their secondary metabolites,serve as distinctive markers for forensic investigations.By utilizing advanced techniques such as Ultra-High-Performance Liquid Chromatography(UHPLC)and High-Resolution Mass Spectrometry(HRMS),the detection and quantification of plant-derived are made more accurate in forensic contexts.Real-world case studies are presented to demonstrate the critical role of plant toxins in forensic outcomes and legal proceedings.The challenges,potential,and future prospects of integrating phytochemical fingerprinting of plant toxins into forensic science were discussed.This review aims to illuminate phytochemical fingerprinting of plant toxins as a promising tool to enhance the precision and depth of forensic analyses,offering new insights into the complex stories embedded in plant toxins. 展开更多
关键词 Forensic phytochemistry Phytochemical fingerprinting Plant toxins Advanced chromatography
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An enhanced fingerprint template protection scheme based on four-dimensional superchaotic system and dynamic DNA coding
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作者 Baiqiang Hu Jiahui Liu Zhe Liu 《Chinese Physics B》 2025年第7期262-272,共11页
With the rapid development of Internet of things technology,the efficiency of data transmission between devices has been significantly improved.However,the open network environment also poses serious security risks.Th... With the rapid development of Internet of things technology,the efficiency of data transmission between devices has been significantly improved.However,the open network environment also poses serious security risks.This paper proposes an innovative fingerprint template protection scheme,which generates key streams through an improved fourdimensional superchaotic system(4CSCS),uses the space-filling property of Hilbert curves to achieve pixel scrambling,and introduces dynamic DNA encoding to improve encryption.Experimental results show that this scheme has a large key space 2^(528),encrypts image information entropy of more than 7.9970,and shows excellent performance in defending against statistical attacks and differential attacks.Compared with existing methods,this scheme has significant advantages in terms of encryption performance and security,and provides a reliable protection mechanism for fingerprint authentication systems in the Internet of things environment. 展开更多
关键词 four-dimensional superchaotic system fingerprint template protection Zernike moments image encryption
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Privacy-Preserving Fingerprint Recognition via Federated Adaptive Domain Generalization
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作者 Yonghang Yan Xin Xie +2 位作者 Hengyi Ren Ying Cao Hongwei Chang 《Computers, Materials & Continua》 2025年第3期5035-5055,共21页
Fingerprint features,as unique and stable biometric identifiers,are crucial for identity verification.However,traditional centralized methods of processing these sensitive data linked to personal identity pose signifi... Fingerprint features,as unique and stable biometric identifiers,are crucial for identity verification.However,traditional centralized methods of processing these sensitive data linked to personal identity pose significant privacy risks,potentially leading to user data leakage.Federated Learning allows multiple clients to collaboratively train and optimize models without sharing raw data,effectively addressing privacy and security concerns.However,variations in fingerprint data due to factors such as region,ethnicity,sensor quality,and environmental conditions result in significant heterogeneity across clients.This heterogeneity adversely impacts the generalization ability of the global model,limiting its performance across diverse distributions.To address these challenges,we propose an Adaptive Federated Fingerprint Recognition algorithm(AFFR)based on Federated Learning.The algorithm incorporates a generalization adjustment mechanism that evaluates the generalization gap between the local models and the global model,adaptively adjusting aggregation weights to mitigate the impact of heterogeneity caused by differences in data quality and feature characteristics.Additionally,a noise mechanism is embedded in client-side training to reduce the risk of fingerprint data leakage arising from weight disclosures during model updates.Experiments conducted on three public datasets demonstrate that AFFR significantly enhances model accuracy while ensuring robust privacy protection,showcasing its strong application potential and competitiveness in heterogeneous data environments. 展开更多
关键词 fingerprint recognition privacy protection federated learning adaptive weight adjustment
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Pulling apart patterns and fabric fingerprinting
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《China Textile》 2025年第3期54-55,共2页
A leading position in the areas of testing,instrumentation and machine control has been established by members of the British Textile Machinery Association(BTMA)and a number of new developments in these fields will be... A leading position in the areas of testing,instrumentation and machine control has been established by members of the British Textile Machinery Association(BTMA)and a number of new developments in these fields will be showcased at this year’s ITMA Asia+CITME exhibition,which takes place in Singapore from October 28-31.“Many of our members are currently developing new technologies,either in-house or increasingly through joint projects,and there will be much to reveal by the time of ITMA Asia in Singapore,”says BTMA CEO Jason Kent.“Some of the most recent developments are really going beyond what has previously been possible.” 展开更多
关键词 fabric fingerprinting technologies machine control PATTERNS testing btma itma asia citme instrumentation
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Victimization Risk Identification Based on Fingerprint Features of Fraudulent Website
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作者 Zhou Shengli Shen Xinyan +2 位作者 Xu Rui Wang Zhenbo Yang Chaoyi 《China Communications》 2025年第10期199-213,共15页
Fraudulent website is an important car-rier tool for telecom fraud.At present,criminals can use artificial intelligence generative content technol-ogy to quickly generate fraudulent website templates and build fraudul... Fraudulent website is an important car-rier tool for telecom fraud.At present,criminals can use artificial intelligence generative content technol-ogy to quickly generate fraudulent website templates and build fraudulent websites in batches.Accurate identification of fraudulent website will effectively re-duce the risk of public victimization.Therefore,this study developed a fraudulent website template iden-tification method based on DOM structure extraction of website fingerprint features,which solves the prob-lems of single-dimension identification,low accuracy,and the insufficient generalization ability of current fraudulent website templates.This method uses an im-proved SimHash algorithm to traverse the DOM tree of a webpage,extract website node features,calcu-late the weight of each node,and obtain the finger-print feature vector of the website through dimension-ality reduction.Finally,the random forest algorithm is used to optimize the training features for the best combination of parameters.This method automati-cally extracts fingerprint features from websites and identifies website template ownership based on these features.An experimental analysis showed that this method achieves a classification accuracy of 89.8%and demonstrates superior recognition. 展开更多
关键词 fraudulent website improved SimHash algorithm multi-class classification victimization risk identification website fingerprinting
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Comprehensive ultra-high-performance liquid chromatography fingerprint profiling and network pharmacology analysis for the quality assessment of Lygodium japonicum(Thunb.)Sw.
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作者 Zhiwen Duan Haibao Qiu +6 位作者 Xiaoxia Liu Fangping Zhang Wenkai Xie Minyou He Dongmei Sun Xiangdong Chen Zhenyu Li 《Journal of Traditional Chinese Medical Sciences》 2025年第3期434-444,共11页
Objective:To evaluate the quality of Lygodium japonicum(Thunb.)Sw.(L.japonicum,Hai Jin Sha)by comparing its components without stewed(W)and stewed(S)using ultra-high-performance liquid chromatography(UHPLC)and chemome... Objective:To evaluate the quality of Lygodium japonicum(Thunb.)Sw.(L.japonicum,Hai Jin Sha)by comparing its components without stewed(W)and stewed(S)using ultra-high-performance liquid chromatography(UHPLC)and chemometric analysis.Additionally,network pharmacology was employed to investigate the possible mechanisms of action of L.japonicum in the urinary calculi(UC)treatment.Methods:A fingerprinting method was established to identify components through UHPLC-tandem mass spectrometry.Chemometric techniques were used to compare the L.japonicum extraction methods.Furthermore,various network pharmacological approaches were used to identify and analyze the potential targets of the identified components in relation to UC.Results:The W and S extracts were distributed into two distinct clusters.Significant differences in the levels of protocatechuic aldehyde,caffeic acid,and p-coumaric acid were observed between S and W.Network pharmacology analysis revealed that the primary targets of L.japonicum in the UC treatment were serum albumin and epidermal growth factor receptors,with potential active components including protocatechuic acid and caffeic acid.Conclusion:This study comprehensively examined the therapeutic components of L.japonicum before and after boiling,shedding light on its potential mechanisms of action in UC treatment.These findings offer valuable insights into the development and utilization of L.japonicum resources. 展开更多
关键词 Lygodium japonicum(Thunb.)Sw. UHPLC fingerprint profiling Network pharmacology Caffeic acid Quality evaluation
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A novel highly thermally stable phosphor powder Ba_(2)LuSbO_(6):Eu^(3+)for latent fingerprint visualization
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作者 Yifan Liu Miao Yan +7 位作者 Xiaoqing Pei Lin Fan Lina Liu Chun Li Hai Lin Shasha Li Weiling Yang Fanming Zeng 《Journal of Rare Earths》 2025年第12期2603-2616,I0001,共15页
In modern forensic science,fingerprints are critical evidence due to their uniqueness and difficulty to replicate.However,it is challenging to observe and identify some latent fingerprints(LFP),because alternative pro... In modern forensic science,fingerprints are critical evidence due to their uniqueness and difficulty to replicate.However,it is challenging to observe and identify some latent fingerprints(LFP),because alternative processing methods for recognition are often required.The use of Eu^(3+)-doped phosphors,which emit red-orange light,presents an effective approach for enhancing the visibility of LFP.Eu^(3+)-doped Ba_(2)LuSbO_(6)(BLSO)phosphors were synthesized using a high-temperature solid-state method,aiming to improve the recognition of LFP for enhanced fingerprint identification.The phase structure of the fluorescent powder samples was analyzed through X-ray diffraction(XRD)combined with Rietveld refinement,as well as scanning electron microscopy(SEM)and X-ray photoelectron spectroscopy(XPS).Photoluminescence spectra of Ba_(2)LuSbO_(6):xEu^(3+)phosphor samples exhibit orange-red emission peaks at595 and 618 nm when excited by 250 nm deep ultraviolet light.Concentration quenching is observed at a doping concentration of 20 mol%.The Ba_(2)LuSbO_(6):0.2Eu^(3+)phosphor sample demonstrates exceptional thermal stability,with value of 92.50% at 423 K.The quantum efficiency of the Ba_(2)LuSbO_(6):0.2Eu^(3+)phosphor sample was evaluated using an integrating sphere,yielding an IQE of 79.34%.In order to visualize latent fingerprints(LFPs),hydrophilic BLSO:0.2Eu^(3+)phosphors were transformed into hydrophobic BLSO:0.2Eu^(3+)@OA phosphors through a coating of oleic acid(OA).The BLSO:0.2Eu^(3+)@OA phosphor proves capable of generating dependable LFP fluorescence images with superior contrast and resolution.These findings underscore the significant potential for application of BLSO:0.2Eu^(3+)products LFP visualization. 展开更多
关键词 Rare earths Ba_(2)LuSbO_(6)phosphor PHOTOLUMINESCENCE Thermal stability Latent fingerprints
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Molecular Engineering of Benzobisoxazole-Based Conjugated Polymers for High-Performance Organic Photodetectors and Fingerprint Image Sensors
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作者 Cheol Shin WonJo Jeong +7 位作者 Ezgi Darici Lee Jong Baek Park Hyungju Ahn Seyeon Baek Myeong In Kim Dae Sung Chung Kang-Il Seo In Hwan Jung 《Energy & Environmental Materials》 2025年第1期151-163,共13页
Various novel conjugated polymers(CPs)have been developed for organic photodetectors(OPDs),but their application to practical image sensors such as X-ray,R/G/B,and fingerprint sensors is rare.In this article,we report... Various novel conjugated polymers(CPs)have been developed for organic photodetectors(OPDs),but their application to practical image sensors such as X-ray,R/G/B,and fingerprint sensors is rare.In this article,we report the entire process from the synthesis and molecular engineering of novel CPs to the development of OPDs and fingerprint image sensors.We synthesized six benzo[1,2-d:4,5-d’]bis(oxazole)(BBO)-based CPs by modifying the alkyl side chains of the CPs.Several relationships between the molecular structure and the OPD performance were revealed,and increasing the number of linear octyl side chains on the conjugated backbone was the best way to improve Jph and reduce Jd in the OPDs.The optimized CP demonstrated promising OPD performance with a responsivity(R)of 0.22 A/W,specific detectivity(D^(*))of 1.05×10^(13)Jones at a bias of-1 V,rising/falling response time of 2.9/6.9μs,and cut-off frequency(f_(-3dB))of 134 kHz under collimated 530 nm LED irradiation.Finally,a fingerprint image sensor was fabricated by stacking the POTB1-based OPD layer on the organic thin-film transistors(318 ppi).The image contrast caused by the valleys and ridges in the fingerprints was obtained as a digital signal. 展开更多
关键词 alkyl side chain engineering fingerprint image sensor on/off ratio organic photodetector specific detectivity
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三七及其炮制品HPLC指纹图谱与体外抗氧化活性的谱效关系研究
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作者 唐林 鹿爱娟 +4 位作者 胡超 李海英 高元航 李昊 杨磊 《天然产物研究与开发》 北大核心 2026年第1期1-12,共12页
分析不同炮制三七的HPLC指纹图谱与体外抗氧化活性差异,并进行谱效关系研究。采用HPLC法建立36批次不同炮制三七(三七、蒸三七、油炸三七)的指纹图谱并对主要特征峰进行HPLC-Q-TOF-MS分析,结合主成分分析(principal component analysis,... 分析不同炮制三七的HPLC指纹图谱与体外抗氧化活性差异,并进行谱效关系研究。采用HPLC法建立36批次不同炮制三七(三七、蒸三七、油炸三七)的指纹图谱并对主要特征峰进行HPLC-Q-TOF-MS分析,结合主成分分析(principal component analysis,PCA)、层次聚类分析(hierarchical clustering analysis,HCA)、偏最小二乘回归分析(partial least squares regression,PLSR)对其进行质量评价并筛选差异标志物;通过DPPH自由基清除能力、FRAP总抗氧化能力和ABTS自由基清除能力测定评价其抗氧化活性;运用PLSR和皮尔逊(Pearson)分析三七及其炮制品化学成分与抗氧化活性的谱效关系。36批次不同炮制三七HPLC指纹图谱共37个特征峰,其中对33个特征峰进行了指认。PCA、HCA、PLSR将三七及其炮制品分为3类,并筛选出13个差异标志物。三七炮制后抗氧化活性显著增强,且抗氧化活性油炸三七>蒸三七>三七。6个特征性成分与三七抗氧化活性关联较大,包括麦芽三糖、人参皂苷Rh_(4)、人参皂苷F_(2)、人参皂苷Rg_(2)、人参皂苷Rk_(1)、人参皂苷Rg_(5)。本研究建立了基于化学成分和抗氧化活性的不同炮制三七质量评价模式,为阐明三七及其炮制品抗氧化活性成分及质量控制提供参考。 展开更多
关键词 三七 炮制 抗氧化 谱效关系 指纹图谱
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药食同源物质定量结构-活性关系肝毒性预测与评估方法研究
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作者 章新友 李莹 +1 位作者 吴地尧 闵捷 《中国新药杂志》 北大核心 2026年第1期82-92,共11页
目的:构建一个针对食药物质的定量结构-活性关系(quantitative structure-activity relationship,QSAR)肝毒性预测与评估方法,并将其用于白果、何首乌的肝毒性评价。方法:从SIDER数据库(SIDER 4.1,于2015年10月更新)和LiverTox(于2025年... 目的:构建一个针对食药物质的定量结构-活性关系(quantitative structure-activity relationship,QSAR)肝毒性预测与评估方法,并将其用于白果、何首乌的肝毒性评价。方法:从SIDER数据库(SIDER 4.1,于2015年10月更新)和LiverTox(于2025年3月更新)中共收集1110种肝脏毒性不良反应的化合物作为阳性数据集,DILIrank(于2023年9月更新)中收集312种不会造成肝损伤的化合物作为阴性数据集;运用Stone MIND Collector软件将搜集的化合物分子通过图片转换成分子结构的线性格式(Simplified Molecular Input Line Entry System,SMILES),然后Drug Flow平台的inno-QSAR构建肝毒性模型,采用5倍交叉验证法对QSAR肝毒性模型进行准确性和稳健性验证。然后,于TCMSP数据库(Version 2.3,于2014年5月更新)和药智网数据库(于2024年第4季度更新)搜集并整合筛选得到72种白果所含化合物和25种何首乌所含化合物,采用上述QSAR肝毒性模型对2种食药物质进行肝毒性预测和评价。结果:对构建的QSAR肝毒性模型拟合评价的结果是准确率(accuracy,ACC)为0.809;ROC曲线下面积AUC(receiver operating characteristic-area under curve,ROC-AUC)为0.757,F1得分(F1)为0.888,表示该模型准确度和精密度高,模型性能好,预测性高。预测结果显示白果和何首乌均属于“可能会引起肝毒性”的物质,白果引起肝毒性最有可能与化合物cardanol(C_(21)H_(34)O)、amentoflavone(C_(30)H_(18)O_(10))、ginkgolide B(C_(20)H_(24)O_(10))、ginkgolide J(C_(20)H_(24)O_(10))有关,何首乌引起的肝毒性最有可能与化合物pyrogallol(C_(6)H_(6)O_(3))、2,3,5,4'-tetrahydroxystilbene-2-O-β-D-glucoside(C_(20)H_(22)O_(9))、citreorosein(C_(15)H_(10)O_(6))有关。结论:本文建立的食药物质QSAR肝毒性预测和评价方法,旨在更深入、精细地挖掘和评价食药物质的肝毒性,为早期识别和预警提供数据参考。 展开更多
关键词 分子指纹 定量结构-活性关系 肝脏毒性 食药物质 药食同源
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基于谱效-毒关系探讨川楝子醋炙减毒增效物质基础
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作者 牛乐 张雨 +2 位作者 范蒙蒙 李红伟 李凯 《中华中医药学刊》 北大核心 2026年第1期72-76,I0008,共6页
目的基于谱效关系和谱毒关系探讨川楝子醋炙减毒增效机理,为其进一步开发利用提供参考。方法采用UPLC双波长测定法,建立川楝子生品及醋炙品指纹图谱,结合主成分分析和偏最小二乘法分析评价川楝子醋炙前后成分变化;以二甲苯致耳肿胀为炎... 目的基于谱效关系和谱毒关系探讨川楝子醋炙减毒增效机理,为其进一步开发利用提供参考。方法采用UPLC双波长测定法,建立川楝子生品及醋炙品指纹图谱,结合主成分分析和偏最小二乘法分析评价川楝子醋炙前后成分变化;以二甲苯致耳肿胀为炎症模型,以炎症抑制率为指标考察川楝子醋炙前后抗炎活性;以血清中总胆汁酸(TBA)、谷草转氨酶(AST)、谷丙转氨酶(ALT)、碱性磷酸酶(ALP)的含量为指标考察川楝子醋炙前后肝毒性作用;采用灰色关联度法考察分析川楝子醋炙前后指纹图谱与抗炎作用和肝毒性的相关性。结果指纹图谱研究显示,生品与醋炙品在210、254 nm波长下分别共匹配16个和13个共有峰;采用主成分分析可将生川楝子与醋川楝子明显区分,采用正交偏最小二乘-判别分析筛选出醋炙前后共13个差异性成分。谱效关系结果显示川楝素、阿魏酸、芦丁、异槲皮苷是抗炎作用关联度较大的化学成分,谱毒关系结果显示川楝素是与肝毒性关联度最大的化学成分。结论川楝子醋炙后可有效降低肝毒性,并增强抗炎活性,川楝子醋炙减毒增效与川楝素、阿魏酸、芦丁、异槲皮苷的成分变化有关,这为川楝子醋炙品的临床应用提供依据。 展开更多
关键词 川楝子 醋炙 指纹图谱 化学模式识别 谱效-毒关系 抗炎作用 肝毒性
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AFLP Fingerprint and SCAR Marker of Watermelon Core Collection 被引量:31
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作者 车克鹏 许勇 +5 位作者 梁春阳 宫国义 翁曼丽 张海英 金德敏 王斌 《Acta Botanica Sinica》 CSCD 2003年第6期731-735,共5页
The identification of germplasm is an important step for effective utilization of the available germplasm. In previous studies, isoenzyme, RAPD and SSR techniques had been used to conduct the genetic identification of... The identification of germplasm is an important step for effective utilization of the available germplasm. In previous studies, isoenzyme, RAPD and SSR techniques had been used to conduct the genetic identification of watermelon ( Citrullus lanatus (Thunb.) Mansf.), but their effectiveness was limited due to the extremely narrow genetic background among watermelon genotypes. In this research, amplified fragment length polymorphism (AFLP), which was reported as a reliable technique with high efficiency in detecting polymorphism, was used to conduct genetic analysis and variety identification of thirty genotypes of watermelon core collection that represent a wide range of breeding and commercially available germplasm. As a result, a DNA fingerprint based on 15 bands amplified with four primer combinations was developed. In this fingerprint, each genotype has its unique fingerprint pattern and can be distinguished from each other. Furthermore, in or der to facilitate the utilization of AFLP marker in practice, one specific AFLP band of genotype 'PI296341' coming from fragment amplified by primer combination E-AT/M-CAT was successfully converted into a sequence characterized amplified region (SCAR) marker. 展开更多
关键词 AFLP variety identification fingerprint SCAR WATERMELON
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Development of the fingerprints of crude Pu-erh tea and ripened Pu-erh tea by high-performance liquid chromatography 被引量:10
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作者 张梁 李宁 +2 位作者 车彦云 马治中 屠鹏飞 《Journal of Chinese Pharmaceutical Sciences》 CAS 2011年第4期352-359,共8页
A simple and accurate high-performance liquid chromatography(HPLC)method to generate the fingerprints of crude Pu-erh tea(CPT)and ripened Pu-erh tea(RPT)is described.A suitable chromatographic system was establi... A simple and accurate high-performance liquid chromatography(HPLC)method to generate the fingerprints of crude Pu-erh tea(CPT)and ripened Pu-erh tea(RPT)is described.A suitable chromatographic system was established using a linear gradient elution with acetonitrile and water containing 0.6% formic acid as the mobile phase and a detection wavelength of 300 nm.HPLC analysis identified 24 common peaks among RPT and 21 common peaks among CPT.This study revealed that crude Pu-erh tea and ripened Pu-erh tea contained some similar major constituents,but with distinctive peaks,which may be caused by the difference in the fermentation process.This HPLC fingerprint method could be used to evaluate and authenticate crude Pu-erh tea and ripened Pu-erh tea. 展开更多
关键词 HPLC fingerprint Pu-erh tea Quality control
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Fingerprint analysis of Ophiopogonis Radix by HPLC-UV-ELSD coupled with chemometrics methods 被引量:6
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作者 李宁 车彦云 +4 位作者 张梁 张加余 周渊 姜勇 屠鹏飞 《Journal of Chinese Pharmaceutical Sciences》 CAS CSCD 2013年第1期55-63,共9页
A new, simple and reliable method using HPLC-UV-ELSD was developed to generate the fingerprint of Ophiopogonis Radix. Homoisoflavonoids and steroidal saponins were determined simultaneously in a single run. A total of... A new, simple and reliable method using HPLC-UV-ELSD was developed to generate the fingerprint of Ophiopogonis Radix. Homoisoflavonoids and steroidal saponins were determined simultaneously in a single run. A total of 27 Ophiopogonis Radix samples were analyzed, and 18 reference substances were used for the identification of the common peaks. The fingerprint was further analyzed by chemometrics methods including similarity analysis (SA), hierarchical clustering analysis (HCA) and principal component analysis (PCA). The results indicated that the combination of chromatographic fingerprint and chemometrics analysis could be used for the geographical differentiation and quality evaluation of Ophiopognnis Radix. 展开更多
关键词 Ophiopogonis Radix Ophiopogonjaponicus HPLC-UV-ELSD fingerprint CHEMOMETRICS Quality evaluation
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Study on the Chromatographic Fingerprint of Volatile Constituents from Acacia Honey 被引量:19
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作者 夏立娅 张晓宇 +1 位作者 王庭欣 马英松 《Agricultural Science & Technology》 CAS 2010年第6期42-44,共3页
[Objective] The experiment aimed to study chromatographic fingerprint in volatile components of acacia honey and provide scientific evaluation and effective control on quality of acacia honey.[Method] Using solid-phas... [Objective] The experiment aimed to study chromatographic fingerprint in volatile components of acacia honey and provide scientific evaluation and effective control on quality of acacia honey.[Method] Using solid-phase microextraction method to separate and detect volatile components and construct chromatographic fingerprint.[Result] The honey was preheated for 15 min in water bath at 40 ℃ and solid-phase microextraction 85 μmPA was used to extract in overhead air about 30 min,then put it into the injector and desorpted 3 min,which is in 230 ℃.The Supelco WaxTM10 30 m×0.25 mm×0.25 μm column and gradient heating program was the best method to separate volatile components from honey.83 fingerprint peaks were constructed,among which 17 common fingerprint peaks were comprised of chromatographic fingerprint of volatile components of acacia honey.[Conclusion] The chromatographic fingerprint could provide reference for quality control of acacia honey. 展开更多
关键词 HONEY Volatile components Solid-phase microextraction technology Gas chromatography fingerprint.
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Anti--inflammatory effect of ethyl acetate extract of Sedum aizoon L. in LPS-stimulated RAW 264.7 macrophages and its HPLC fingerprint 被引量:9
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作者 林珠灿 张龙 +2 位作者 张睿卓 黄安玉 郭素华 《Journal of Chinese Pharmaceutical Sciences》 CAS CSCD 2015年第10期647-653,共7页
Sedum aizoon L.(SA) has been widely used for treatment of various hemorrhages, insomnia, pain and trauma? however, its anti-inflammatory activity is unknown. In this study, we firstly investigated the anti--inflamm... Sedum aizoon L.(SA) has been widely used for treatment of various hemorrhages, insomnia, pain and trauma? however, its anti-inflammatory activity is unknown. In this study, we firstly investigated the anti--inflammatory activity of SA extracts by petroleum ether(PE), ethyl acetate(EtOAc), and H2O in LPS-stimulated RAW 264.7 cells. Results showed that the EtOAc extract rich in phenolics and flavonoids significantly inhibited LPS-induced NO, TNF--α, and IL-6 production in RAW 264.7 cells(P0.01), suggesting that this extract possessed potent anti--inflammatory activity. The phytochemical profile of the effective extract was subsequently analyzed by HPLC fingerprint with 11 standards. The results indicated that gallic acid, protocatechuic acid, p--hydroxybenzoic acid, ethyl gallate, iriflophene, 5,7-dihydroxy chromone, quercitrin, quercetin, luteolin, kaempferol, and isorhamnetin were present in this extract, which might contribute to its anti-inflammatory activity. Thus, the Et -OAc extract of SA showed anti-inflammatory activity and could be used as a potential natural anti--inflammatory agent. 展开更多
关键词 Sedum aizoon L. EtOAc extract RAW 264.7 cell Pro-inflammatory cytokines and mediators HPLC fingerprint
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