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1:
[发明]
【中文】一种黄芪中二硫键多肽的纯化和鉴定方法 【EN】Method for purifying and identifying disulfide bond polypeptide in astragalus membranaceus
申请号:
201811422418.6
公开号:CN111217889A 主分类号:C07K1/30
申请人:
【中文】中国科学院大连化学物理研究所【EN】DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES
申请日:2018.11.23 公开日:2020.06.02
发明人:
【中文】张晓哲
;
何枚羲【EN】
Zhang Xiaozhe
;
He Meixi
摘要:【中文】本发明涉及一种从黄芪中富集多肽并进行鉴定的方法,是将经鉴定无误的干燥黄芪切片经醇液超声提取、过滤、浓缩、萃取、有机试剂富集黄芪中的多肽并通过烷基化处理、质谱分析及De Novo分析鉴定其中的二硫键多肽。本发明成功地将传统的植物化学分析方法、生物化学方法及质谱方法相结合进行多肽富集及检测,无需脱盐、超滤分离、特殊色谱柱填料等操作,步骤少、操作简便,为现代植物多肽的研究提供了技术参考及指导。 【EN】The invention relates to a method for enriching and identifying polypeptides from astragalus, which is to subject an identified error-free dried astragalus slice to alcohol-liquid ultrasonic extraction, filtration, concentration, extraction, organic reagent enrichment of polypeptides in astragalus and identification of disulfide bond polypeptides in the astragalus through alkylation treatment, mass spectrometry and De Novo analysis. The invention successfully combines the traditional plant chemical analysis method, biochemical method and mass spectrum method for polypeptide enrichment and detection, does not need operations such as desalination, ultrafiltration separation, special chromatographic column packing and the like, has less steps and simple and convenient operation, and provides technical reference and guidance for the research of modern plant polypeptides.
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2:
[发明]
【中文】一种LC-MS数据高灵敏度特征检测方法 【EN】LC-MS data high-sensitivity characteristic detection method
申请号:
201811453137.7
公开号:CN111259909A 主分类号:G06K9/46
申请人:
【中文】中国科学院大连化学物理研究所【EN】DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES
申请日:2018.11.30 公开日:2020.06.09
发明人:
【中文】张晓哲
;
赵凡
;
黄帅【EN】
Zhang Xiaozhe
;
Zhao Fan
;
Huang Shuai
摘要:【中文】本发明公开了一种新的LC‑MS数据高灵敏度特征检测方法,包括以下步骤:首先采用液相色谱‑质谱联用(LC‑MS)仪获取LC‑MS数据,利用滑动窗口以一定的步长获取一系列的图像块,以目标框方式手工标注图像块中的目标离子位置信息,将该信息作为训练样本集;设计有效深度卷积神经网络结构,在训练过程中根据输入的训练样本学习目标离子分布特征,避免了常规预定义形状造成复杂场景难以识别的问题;测试阶段利用不同样本验证了本发明所提新方法可实现LC‑MS数据的高灵敏度特征检测及其概率输出。 【EN】The invention discloses a novel LC-MS data high-sensitivity characteristic detection method, which comprises the following steps: firstly, acquiring liquid chromatography-mass spectrometry (LC-MS) data by adopting an LC-MS instrument, acquiring a series of image blocks by utilizing a sliding window in a certain step length, manually marking target ion position information in the image blocks in a target frame mode, and taking the information as a training sample set; an effective deep convolution neural network structure is designed, and target ion distribution characteristics are learned according to input training samples in the training process, so that the problem that complex scenes are difficult to recognize due to conventional predefined shapes is solved; in the testing stage, different samples are used for verifying that the novel method provided by the invention can realize high-sensitivity characteristic detection and probability output of LC-MS data.
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3:
[发明]
【中文】一种使用多肽标志物区分西洋参和人参的方法 【EN】Method for distinguishing American ginseng and ginseng by using polypeptide marker
申请号:
201811459867.8
公开号:CN111257485A 主分类号:G01N30/88
申请人:
【中文】中国科学院大连化学物理研究所【EN】DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES
申请日:2018.11.30 公开日:2020.06.09
发明人:
【中文】张晓哲
;
赵强【EN】
Zhang Xiaozhe
;
Zhao Qiang
摘要:【中文】本发明公开了一种使用多肽标志物区分西洋参和人参物种的方法,包括下述步骤:西洋参与人参提取物经液相色谱分离后通过质谱分析;采集质谱数据并通过数据处理软件对齐每个特征的m/z,滞留时间,峰强度等;使用提取目标多肽色谱峰的分析方法确定西洋参和人参的共有多肽以及多肽标志物;基于液质联用分析对西洋参和人参的目标多肽进行质量和碎片离子的匹配,实现表征;使用多肽标志物对西洋参和人参进行鉴定,并通过西洋参标志物皂苷F11和人参标志物皂苷Rf验证鉴定结果。利用本发明的方法可以快速地、准确地将人参和西洋参的生物标志物寻找出来并用来鉴定未知样本。 【EN】The invention discloses a method for distinguishing American ginseng and ginseng species by using a polypeptide marker, which comprises the following steps: subjecting the extract of Panax ginseng C.A.Meyer to liquid chromatography and mass spectrometry; acquiring mass spectrum data and aligning m/z, residence time, peak intensity and the like of each feature through data processing software; determining common polypeptides and polypeptide markers of radix Panacis Quinquefolii and Ginseng radix by extracting target polypeptide chromatographic peak; matching the mass and fragment ions of target polypeptides of the American ginseng and the ginseng based on liquid chromatography-mass spectrometry analysis to realize characterization; the American ginseng and the ginseng are identified by using the polypeptide marker, and the identification result is verified by the American ginseng marker saponin F11 and the ginseng marker saponin Rf. The method of the invention can quickly and accurately find out the biomarkers of the ginseng and the American ginseng and identify unknown samples.
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4:
[发明]
【中文】一种生地黄识别平台和利用该平台的生地黄识别方法 【EN】Radix rehmanniae identification platform and radix rehmanniae identification method using same
申请号:
201811419256.0
公开号:CN111220756A 主分类号:G01N30/88
申请人:
【中文】中国科学院大连化学物理研究所【EN】DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES
申请日:2018.11.26 公开日:2020.06.02
发明人:
【中文】张晓哲
;
赵楠
;
程孟春【EN】
Zhang Xiaozhe
;
Zhao Nan
;
Cheng Mengchun
摘要:【中文】本申请公开了一种生地黄识别平台,以及应用该平台来识别生地黄的方法。该平台包括已知样本信息数据库模块、未知样本信息数据库模块、已知样本色谱‑质谱图像模块、未知样本色谱‑质谱图像模块、未知样本识别模块。通过将生成的未知样本的色谱‑质谱数据图像与已知样本的色谱‑质谱数据图像进行比对,来确定未知样本的色谱‑质谱数据是否与已知样本的色谱‑质谱数据匹配,从而识别未知样本。本发明运用中药色谱‑质谱高维图像技术,能够对生地黄样本中大量化合物间的空间信息实现全面表征,并利用上述空间信息实现未知样本的匹配与识别,具有快速、高通量、高精度和高可靠性等优势。 【EN】The application discloses a radix rehmanniae identification platform and a method for identifying radix rehmanniae by using the platform. The platform comprises a known sample information database module, an unknown sample information database module, a known sample chromatogram-mass spectrum image module, an unknown sample chromatogram-mass spectrum image module and an unknown sample identification module. And determining whether the chromatogram-mass spectrum data of the unknown sample is matched with the chromatogram-mass spectrum data of the known sample by comparing the generated chromatogram-mass spectrum data image of the unknown sample with the chromatogram-mass spectrum data image of the known sample, thereby identifying the unknown sample. The method provided by the invention can realize comprehensive characterization of spatial information among a large amount of compounds in the rehmannia glutinosa sample by using a traditional Chinese medicine chromatography-mass spectrometry high-dimensional image technology, realizes matching and identification of unknown samples by using the spatial information, and has the advantages of rapidness, high flux, high precision, high reliability and the like.
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5:
[发明]
【中文】一种中药识别平台和利用该平台的中药识别方法 【EN】Traditional Chinese medicine identification platform and traditional Chinese medicine identification method using same
申请号:
201811417962.1
公开号:CN111220750A 主分类号:G01N30/88
申请人:
【中文】中国科学院大连化学物理研究所【EN】DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES
申请日:2018.11.26 公开日:2020.06.02
发明人:
【中文】张晓哲
;
赵楠
;
程孟春【EN】
Zhang Xiaozhe
;
Zhao Nan
;
Cheng Mengchun
摘要:【中文】本申请公开了一种中药识别平台,以及应用该平台来识别中药的方法。该平台包括已知样本信息数据库模块、未知样本信息数据库模块、已知样本色谱‑质谱图像模块、未知样本色谱‑质谱图像模块、未知样本识别模块。通过将生成的未知样本的色谱‑质谱数据图像与已知样本的色谱‑质谱数据图像进行比对,来确定未知样本的色谱‑质谱数据是否与已知样本的色谱‑质谱数据匹配,从而识别未知样本。本发明运用中药色谱‑质谱高维图像技术,能够对中药样本中大量化合物间的空间信息实现全面表征,并利用上述空间信息实现未知样本的匹配与识别,具有快速、高通量、高精度和高可靠性等优势。 【EN】The application discloses a traditional Chinese medicine identification platform and a method for identifying traditional Chinese medicines by applying the platform. The platform comprises a known sample information database module, an unknown sample information database module, a known sample chromatogram-mass spectrum image module, an unknown sample chromatogram-mass spectrum image module and an unknown sample identification module. And determining whether the chromatogram-mass spectrum data of the unknown sample is matched with the chromatogram-mass spectrum data of the known sample by comparing the generated chromatogram-mass spectrum data image of the unknown sample with the chromatogram-mass spectrum data image of the known sample, thereby identifying the unknown sample. The invention can realize comprehensive characterization of spatial information among a large amount of compounds in a traditional Chinese medicine sample by applying a traditional Chinese medicine chromatography-mass spectrometry high-dimensional image technology, realizes matching and identification of an unknown sample by utilizing the spatial information, and has the advantages of rapidness, high flux, high precision, high reliability and the like.
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6:
[发明]
【中文】一种三七识别平台和利用该平台的三七识别方法 【EN】Pseudo-ginseng identification platform and pseudo-ginseng identification method using same
申请号:
201811417986.7
公开号:CN111220751A 主分类号:G01N30/88
申请人:
【中文】中国科学院大连化学物理研究所【EN】DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES
申请日:2018.11.26 公开日:2020.06.02
发明人:
【中文】张晓哲
;
赵楠
;
程孟春【EN】
Zhang Xiaozhe
;
Zhao Nan
;
Cheng Mengchun
摘要:【中文】本申请公开了一种三七识别平台,以及应用该平台来识别三七的方法。该平台包括已知样本信息数据库模块、未知样本信息数据库模块、已知样本色谱‑质谱图像模块、未知样本色谱‑质谱图像模块、未知样本识别模块。通过将生成的未知样本的色谱‑质谱数据图像与已知样本的色谱‑质谱数据图像进行比对,来确定未知样本的色谱‑质谱数据是否与已知样本的色谱‑质谱数据匹配,从而识别未知样本。本发明运用中药色谱‑质谱高维图像技术,能够对三七样本中大量化合物间的空间信息实现全面表征,并利用上述空间信息实现未知样本的匹配与识别,具有快速、高通量、高精度和高可靠性等优势。 【EN】The application discloses a pseudo-ginseng identification platform and a method for identifying pseudo-ginseng by applying the platform. The platform comprises a known sample information database module, an unknown sample information database module, a known sample chromatogram-mass spectrum image module, an unknown sample chromatogram-mass spectrum image module and an unknown sample identification module. And determining whether the chromatogram-mass spectrum data of the unknown sample is matched with the chromatogram-mass spectrum data of the known sample by comparing the generated chromatogram-mass spectrum data image of the unknown sample with the chromatogram-mass spectrum data image of the known sample, thereby identifying the unknown sample. The method provided by the invention can realize comprehensive characterization of spatial information among a large amount of compounds in the pseudo-ginseng sample by applying a traditional Chinese medicine chromatography-mass spectrometry high-dimensional image technology, realizes matching and identification of unknown samples by utilizing the spatial information, and has the advantages of rapidness, high flux, high precision, high reliability and the like.
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7:
[发明]
【中文】一种西洋参识别平台和利用该平台的西洋参识别方法 【EN】American ginseng identification platform and American ginseng identification method using same
申请号:
201811417990.3
公开号:CN111220752A 主分类号:G01N30/88
申请人:
【中文】中国科学院大连化学物理研究所【EN】DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES
申请日:2018.11.26 公开日:2020.06.02
发明人:
【中文】张晓哲
;
赵楠
;
程孟春【EN】
Zhang Xiaozhe
;
Zhao Nan
;
Cheng Mengchun
摘要:【中文】本申请公开了一种西洋参识别平台,以及应用该平台来识别西洋参的方法。该平台包括已知样本信息数据库模块、未知样本信息数据库模块、已知样本色谱‑质谱图像模块、未知样本色谱‑质谱图像模块、未知样本识别模块。通过将生成的未知样本的色谱‑质谱数据图像与已知样本的色谱‑质谱数据图像进行比对,来确定未知样本的色谱‑质谱数据是否与已知样本的色谱‑质谱数据匹配,从而识别未知样本。本发明运用中药色谱‑质谱高维图像技术,能够对西洋参样本中大量化合物间的空间信息实现全面表征,并利用上述空间信息实现未知样本的匹配与识别,具有快速、高通量、高精度和高可靠性等优势。 【EN】The application discloses an American ginseng identification platform and a method for identifying American ginseng by applying the platform. The platform comprises a known sample information database module, an unknown sample information database module, a known sample chromatogram-mass spectrum image module, an unknown sample chromatogram-mass spectrum image module and an unknown sample identification module. And determining whether the chromatogram-mass spectrum data of the unknown sample is matched with the chromatogram-mass spectrum data of the known sample by comparing the generated chromatogram-mass spectrum data image of the unknown sample with the chromatogram-mass spectrum data image of the known sample, thereby identifying the unknown sample. The method provided by the invention can realize comprehensive characterization of spatial information among a large amount of compounds in the American ginseng sample by applying a traditional Chinese medicine chromatography-mass spectrometry high-dimensional image technology, realizes matching and identification of unknown samples by utilizing the spatial information, and has the advantages of rapidness, high flux, high precision, high reliability and the like.
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8:
[发明]
【中文】一种苦参识别平台和利用该平台的苦参识别方法 【EN】Sophora flavescens recognition platform and sophora flavescens recognition method using same
申请号:
201811417991.8
公开号:CN111220753A 主分类号:G01N30/88
申请人:
【中文】中国科学院大连化学物理研究所【EN】DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES
申请日:2018.11.26 公开日:2020.06.02
发明人:
【中文】张晓哲
;
赵楠
;
程孟春【EN】
Zhang Xiaozhe
;
Zhao Nan
;
Cheng Mengchun
摘要:【中文】本申请公开了一种苦参识别平台,以及应用该平台来识别苦参的方法。该平台包括已知样本信息数据库模块、未知样本信息数据库模块、已知样本色谱‑质谱图像模块、未知样本色谱‑质谱图像模块、未知样本识别模块。通过将生成的未知样本的色谱‑质谱数据图像与已知样本的色谱‑质谱数据图像进行比对,来确定未知样本的色谱‑质谱数据是否与已知样本的色谱‑质谱数据匹配,从而识别未知样本。本发明运用中药色谱‑质谱高维图像技术,能够对苦参样本中大量化合物间的空间信息实现全面表征,并利用上述空间信息实现未知样本的匹配与识别,具有快速、高通量、高精度和高可靠性等优势。 【EN】The application discloses a radix sophorae flavescentis identification platform and a method for identifying radix sophorae flavescentis by applying the platform. The platform comprises a known sample information database module, an unknown sample information database module, a known sample chromatogram-mass spectrum image module, an unknown sample chromatogram-mass spectrum image module and an unknown sample identification module. And determining whether the chromatogram-mass spectrum data of the unknown sample is matched with the chromatogram-mass spectrum data of the known sample by comparing the generated chromatogram-mass spectrum data image of the unknown sample with the chromatogram-mass spectrum data image of the known sample, thereby identifying the unknown sample. The method provided by the invention can realize comprehensive characterization of spatial information among a large amount of compounds in the sophora flavescens ait sample by applying a traditional Chinese medicine chromatography-mass spectrometry high-dimensional image technology, realizes matching and identification of unknown samples by utilizing the spatial information, and has the advantages of rapidness, high flux, high precision, high reliability and the like.
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9:
[发明]
【中文】一种合欢皮识别平台和利用该平台的合欢皮识别方法 【EN】Albizzia julibrissin identification platform and albizzia julibrissin identification method using same
申请号:
201811418023.9
公开号:CN111222524A 主分类号:G06K9/62
申请人:
【中文】中国科学院大连化学物理研究所【EN】DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES
申请日:2018.11.26 公开日:2020.06.02
发明人:
【中文】张晓哲
;
赵楠
;
程孟春【EN】
Zhang Xiaozhe
;
Zhao Nan
;
Cheng Mengchun
摘要:【中文】本申请公开了一种合欢皮识别平台,以及应用该平台来识别合欢皮的方法。该平台包括已知样本信息数据库模块、未知样本信息数据库模块、已知样本色谱‑质谱图像模块、未知样本色谱‑质谱图像模块、未知样本识别模块。通过将生成的未知样本的色谱‑质谱数据图像与已知样本的色谱‑质谱数据图像进行比对,来确定未知样本的色谱‑质谱数据是否与已知样本的色谱‑质谱数据匹配,从而识别未知样本。本发明运用中药色谱‑质谱高维图像技术,能够对合欢皮样本中大量化合物间的空间信息实现全面表征,并利用上述空间信息实现未知样本的匹配与识别,具有快速、高通量、高精度和高可靠性等优势。 【EN】The application discloses a albizzia bark identification platform and a method for identifying albizzia bark by applying the platform. The platform comprises a known sample information database module, an unknown sample information database module, a known sample chromatogram-mass spectrum image module, an unknown sample chromatogram-mass spectrum image module and an unknown sample identification module. And determining whether the chromatogram-mass spectrum data of the unknown sample is matched with the chromatogram-mass spectrum data of the known sample by comparing the generated chromatogram-mass spectrum data image of the unknown sample with the chromatogram-mass spectrum data image of the known sample, thereby identifying the unknown sample. The method provided by the invention can realize comprehensive characterization of spatial information among a large amount of compounds in the cortex albiziae sample by applying a traditional Chinese medicine chromatography-mass spectrometry high-dimensional image technology, realizes matching and identification of unknown samples by utilizing the spatial information, and has the advantages of rapidness, high flux, high precision, high reliability and the like.
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10:
[发明]
【中文】一种人参识别平台和利用该平台的人参识别方法 【EN】Ginseng recognition platform and ginseng recognition method using same
申请号:
201811418055.9
公开号:CN111220754A 主分类号:G01N30/88
申请人:
【中文】中国科学院大连化学物理研究所【EN】DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES
申请日:2018.11.26 公开日:2020.06.02
发明人:
【中文】张晓哲
;
赵楠
;
程孟春【EN】
Zhang Xiaozhe
;
Zhao Nan
;
Cheng Mengchun
摘要:【中文】本申请公开了一种人参识别平台,以及应用该平台来识别人参的方法。该平台包括已知样本信息数据库模块、未知样本信息数据库模块、已知样本色谱‑质谱图像模块、未知样本色谱‑质谱图像模块、未知样本识别模块。通过将生成的未知样本的色谱‑质谱数据图像与已知样本的色谱‑质谱数据图像进行比对,来确定未知样本的色谱‑质谱数据是否与已知样本的色谱‑质谱数据匹配,从而识别未知样本。本发明运用中药色谱‑质谱高维图像技术,能够对人参样本中大量化合物间的空间信息实现全面表征,并利用上述空间信息实现未知样本的匹配与识别,具有快速、高通量、高精度和高可靠性等优势。 【EN】The application discloses a ginseng identification platform and a method for identifying ginseng by using the platform. The platform comprises a known sample information database module, an unknown sample information database module, a known sample chromatogram-mass spectrum image module, an unknown sample chromatogram-mass spectrum image module and an unknown sample identification module. And determining whether the chromatogram-mass spectrum data of the unknown sample is matched with the chromatogram-mass spectrum data of the known sample by comparing the generated chromatogram-mass spectrum data image of the unknown sample with the chromatogram-mass spectrum data image of the known sample, thereby identifying the unknown sample. The invention applies the traditional Chinese medicine chromatography-mass spectrum high-dimensional image technology, can realize comprehensive characterization on the spatial information among a large number of compounds in the ginseng sample, realizes matching and identification of unknown samples by utilizing the spatial information, and has the advantages of rapidness, high flux, high precision, high reliability and the like.
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